This document provides a 3-sentence summary of an expert presentation on plasma modeling and interpretation using an R-matrix approach:
The presentation discussed comprehensive plasma modeling capabilities using R-matrix calculations of electron-impact ionization, excitation, and photoionization of mid-Z elements, which have been parallelized to efficiently utilize modern high performance computing architectures. Scripted R-matrix calculations along iso-nuclear sequences automate the calculation of effective collision strengths. Examples were given of parallel calculations of electron-impact excitation of Fe III and photoionization of Kr II and Xe II using the Dirac Atomic R-matrix Codes that agree well with experimental results.
- The document discusses electron-phonon coupling in graphene using density functional theory (DFT) and many-body perturbation theory (MBPT).
- DFT underestimates the phonon dispersion near the K point compared to experiments. MBPT within the GW approximation improves upon DFT by increasing the bandwidth and Fermi velocity.
- Frozen phonon calculations within GW can accurately reproduce the electron-phonon coupling and explain experimental results like the Raman D-line dispersion.
This document discusses using advanced computational methods beyond density functional theory (DFT) to more accurately model electron-phonon coupling (EPC) in graphene. It finds that the GW approximation provides a better description of phonon dispersions and EPC than DFT. Hybrid functionals can also reproduce GW results if the amount of nonlocal exchange is tuned. The EPC is found to decrease with doping as screening becomes stronger. Experimental evidence generally agrees with the computational results.
The document discusses electronic excited states and challenges in simulating their dynamics. It describes how excited states are described using different representations like adiabatic and diabatic. It highlights how conical intersections are better described than avoided crossings and how nonadiabatic transitions occur. It also summarizes challenges with excited state electronic structure methods like TDDFT in accurately describing conical intersections.
Jay amrit kapitza resistance at niobiumsuperfluid he interfacesthinfilmsworkshop
Heat removal from SRF cavity walls to superfluid (HeII) plays a decisive on the thermo-magnetic stability and therefore on the performance of these cavities. The two main parameters are the thermal conductivity of Niobium and the thermal boundary resistance (Kapitza resistance) at the Niobium/superfluid He interface. Here we shall focus mainly on the Kapitza resistance .Theoretical models shall be present to demonstrate that the Kapitza resistance is anomalous at the Niobium/HeII interface, justifying the empirical experimental approach. Various sets of data shall be presented for polycrystalline and single crystal Niobium having different surface morphologies and bulk purities. The impact of surface impurities and dislocations on the Kapitza resistance shall be discussed. New analysis shall be present showing an intrinsic limit to the Kapitza resistance due to interactions between phonons (heat carriers) in He-II and the nanoscale surface roughness of Niobium surface. Potential future experiments shall be proposed.
"Squeezed States in Bose-Einstein Condensate"Chad Orzel
1. The document discusses the formation of squeezed quantum states in Bose-Einstein condensates trapped in optical lattices. By slowly ramping up the depth of the optical lattice, the atoms can be prepared in a number-squeezed state.
2. Releasing the atoms from the lattice allows their wavefunctions to overlap and interfere, providing a way to probe the quantum phase state of the atoms. Number-squeezed states are observed to produce interference patterns with higher contrast than coherent states.
3. Variational calculations of the quantum state dynamics during lattice ramping and dephasing agree qualitatively with experimental observations of the transition between coherent and squeezed states.
Oxford graduate lectures on "Quantum Chromodynamics and LHC phenomenology" Pa...juanrojochacon
This document summarizes a lecture on perturbative QCD calculations in electron-positron annihilation. It discusses how soft and collinear divergences arise in real emission diagrams but cancel out between real and virtual corrections. It also introduces the concept of jets to define infrared-safe observables and calculates the Sterman-Weinberg jet cross section to next-to-leading order. The lecture emphasizes that perturbative QCD is only well-defined for infrared and collinear safe observables.
- The document discusses electron-phonon coupling in graphene using density functional theory (DFT) and many-body perturbation theory (MBPT).
- DFT underestimates the phonon dispersion near the K point compared to experiments. MBPT within the GW approximation improves upon DFT by increasing the bandwidth and Fermi velocity.
- Frozen phonon calculations within GW can accurately reproduce the electron-phonon coupling and explain experimental results like the Raman D-line dispersion.
This document discusses using advanced computational methods beyond density functional theory (DFT) to more accurately model electron-phonon coupling (EPC) in graphene. It finds that the GW approximation provides a better description of phonon dispersions and EPC than DFT. Hybrid functionals can also reproduce GW results if the amount of nonlocal exchange is tuned. The EPC is found to decrease with doping as screening becomes stronger. Experimental evidence generally agrees with the computational results.
The document discusses electronic excited states and challenges in simulating their dynamics. It describes how excited states are described using different representations like adiabatic and diabatic. It highlights how conical intersections are better described than avoided crossings and how nonadiabatic transitions occur. It also summarizes challenges with excited state electronic structure methods like TDDFT in accurately describing conical intersections.
Jay amrit kapitza resistance at niobiumsuperfluid he interfacesthinfilmsworkshop
Heat removal from SRF cavity walls to superfluid (HeII) plays a decisive on the thermo-magnetic stability and therefore on the performance of these cavities. The two main parameters are the thermal conductivity of Niobium and the thermal boundary resistance (Kapitza resistance) at the Niobium/superfluid He interface. Here we shall focus mainly on the Kapitza resistance .Theoretical models shall be present to demonstrate that the Kapitza resistance is anomalous at the Niobium/HeII interface, justifying the empirical experimental approach. Various sets of data shall be presented for polycrystalline and single crystal Niobium having different surface morphologies and bulk purities. The impact of surface impurities and dislocations on the Kapitza resistance shall be discussed. New analysis shall be present showing an intrinsic limit to the Kapitza resistance due to interactions between phonons (heat carriers) in He-II and the nanoscale surface roughness of Niobium surface. Potential future experiments shall be proposed.
"Squeezed States in Bose-Einstein Condensate"Chad Orzel
1. The document discusses the formation of squeezed quantum states in Bose-Einstein condensates trapped in optical lattices. By slowly ramping up the depth of the optical lattice, the atoms can be prepared in a number-squeezed state.
2. Releasing the atoms from the lattice allows their wavefunctions to overlap and interfere, providing a way to probe the quantum phase state of the atoms. Number-squeezed states are observed to produce interference patterns with higher contrast than coherent states.
3. Variational calculations of the quantum state dynamics during lattice ramping and dephasing agree qualitatively with experimental observations of the transition between coherent and squeezed states.
Oxford graduate lectures on "Quantum Chromodynamics and LHC phenomenology" Pa...juanrojochacon
This document summarizes a lecture on perturbative QCD calculations in electron-positron annihilation. It discusses how soft and collinear divergences arise in real emission diagrams but cancel out between real and virtual corrections. It also introduces the concept of jets to define infrared-safe observables and calculates the Sterman-Weinberg jet cross section to next-to-leading order. The lecture emphasizes that perturbative QCD is only well-defined for infrared and collinear safe observables.
The document compares the low field electron transport properties in compounds of groups III-V semiconductors by solving the Boltzmann equation using an iterative technique. It calculates the temperature and doping dependencies of electron mobility in InP, InAs, GaP and GaAs. The electron mobility decreases with increasing temperature from 100K to 500K for each material due to increased electron-phonon scattering. Electron mobility also increases significantly with higher doping concentration at low temperatures. The iterative results show good agreement with other calculations and experiments. Electron mobility is highest in InAs and lowest in GaP at 300K, due to differences in their effective masses.
This document discusses collision theory and its development over time to model the temperature dependence of chemical reaction rates. It describes:
1) Early proposals by van't Hoff and Arrhenius that reaction rates depend exponentially on temperature and are characterized by an activation energy.
2) Later developments including Maxwell-Boltzmann distributions, collision cross sections, and the concept of a transition state to account for the fact that not all collisions result in reaction.
3) Eyring and Polanyi's introduction of an equilibrium between reactants and an activated complex or transition state, linking reaction rates to statistical thermodynamics.
The document describes the design and simulation of a 2-input NOR gate in 0.25um CMOS technology. The goal is to minimize propagation delay and area. Various transistor widths and lengths are analyzed to determine the optimal sizing. Shared diffusion is used to reduce parasitic capacitance and area. The final design has a propagation delay of 0.65ns and passes DRC and LVS checks.
Solar Cells Lecture 3: Modeling and Simulation of Photovoltaic Devices and Sy...Tuong Do
The document provides information about a summer school on modeling and simulation of photovoltaic devices and systems being held in July 2011. It outlines the course, which will cover objectives of PV modeling and simulation, device modeling, fundamental limits, system modeling of multijunction devices, and detailed numerical simulation. The instructor is Prof. Jeffery L. Gray of Purdue University and the material is provided under a Creative Commons license.
This document discusses digital communication systems and provides an overview of several key topics:
- It introduces line coding techniques and their properties.
- It describes the basic digital communication block diagram and advantages of digital transmission.
- It discusses intersymbol interference, equalization techniques like zero-forcing equalization, and eye patterns.
- It provides information on topics like noise immunity, regenerative repeaters, and pulse shaping to eliminate intersymbol interference.
Apartes de la Conferencia de la SJG del 14 y 21 de Enero de 2012:Luminosity f...SOCIEDAD JULIO GARAVITO
This document summarizes a statistical analysis that was performed on GRB data from the BATSE detector to estimate luminosity functions and the GRB rate density. The analysis was repeated using a "sanitized" sample that excluded GRBs whose prompt emission was dominated by the P-GRB emission. Different luminosity functions were assumed for five spectral classes. Parameters like the center luminosity, break spectral energy, and GRB rate density at z=0 were calibrated by comparing to values obtained from the sanitized GUSBAD sample. The calibrated model was then used to predict peak photon fluxes and spectral energies.
The document summarizes studies performed on BGO crystals as a potential material for the barrel electromagnetic calorimeter of a particle physics experiment. Measurements were made of the energy resolution of a BGO crystal using a 137Cs radioactive source and varying the integration time of the readout electronics. With an integration time of 100 ns, an energy resolution of 2.3% at 50 MeV was achieved, corresponding to a light yield of at least 37 photons per MeV. Future tests planned include performing similar measurements with CsI crystals and studying the energy resolution using cosmic rays. BGO is considered a viable option for the calorimeter due to its radiation hardness, cost advantages over LYSO, and ability to achieve good energy resolution with integration
This document summarizes a master's thesis that designed a low power successive approximation register (SAR) analog-to-digital converter (ADC) for wireless sensor networks. Key aspects of the design included:
- The SAR ADC was designed in a 28nm CMOS process with 12-bit resolution, 500 kS/s sampling rate, and a supply voltage of 0.5V ±10%.
- An asynchronous SAR architecture was used to allow faster conversion times and lower power consumption compared to a synchronous design.
- The comparator and sampling DAC were sized to meet noise constraints while operating at sub-threshold voltages for low power. Time constraints were also considered for bit conversions.
- Models of
Non-Gaussian perturbations from mixed inflaton-curvaton scenarioCosmoAIMS Bassett
This document discusses perturbations from a mixed inflaton-curvaton scenario of the early universe. It begins with an overview of perturbations from standard single-field inflation models. It then introduces the curvaton scenario, where a subdominant scalar field called the curvaton produces the primordial density perturbations after inflation ends. The document outlines how the curvaton scenario allows for non-Gaussian perturbations and explores constraints on curvaton-dominated theories. It concludes by discussing including perturbations from both the inflaton and curvaton fields in a mixed scenario.
1988 a study of the thermal switching behavior in gd tbfe magneto‐optic films...pmloscholte
1) A study examined the thermal switching behavior of GdTbFe magneto-optic films using two laser beams - a krypton laser (753 nm) to locally heat spots and a semiconductor laser (820 nm) to monitor changes in magnetization.
2) It was observed that magnetization reversal within the heated spots was delayed after the start of heating, with delay times ranging from 200 microseconds to 2 seconds depending on factors like applied field and heating power.
3) Analysis indicated the delayed switching was partly due to the time needed to reach the temperature required for reversal as the spot heated up, though other magnetic processes may also have contributed to the delay.
Nonlinear response of solids with Green's functions and TD-D(P)FTClaudio Attaccalite
This document summarizes nonlinear response theory using real-time propagation of the wavefunction. The wavefunction approach allows calculating nonlinear response to all orders using the same equations of motion. Local fields and excitonic effects are important beyond linear response. Time-dependent density functional theory may provide an alternative, but functionals must depend on both density and polarization to describe nonlinear optics in solids. Developing such functional is an important open problem. Applications include second and third harmonic generation in semiconductors and two-dimensional materials.
This document evaluates the performance of different sonar signals using fusion techniques. It discusses Linear Frequency Modulated (LFM) pulses, Gaussian Nonlinear Frequency Modulated (NLFM) pulses, and Rayleigh NLFM pulses. It generates a new fusion signal combining LFM, Gaussian NLFM, and Rayleigh NLFM signals. The ambiguity functions and range resolution plots of the individual and fusion signals are compared. Parameters like discrimination, merit factor, peak to sidelobe level ratio, and integrated sidelobe level ratio are calculated. The fusion signal is found to provide better range resolution and parameter values compared to the individual signals. Therefore, fusing different sonar signals can improve system performance and target detection capabilities.
This document discusses active filter circuits using operational amplifiers (op amps). It begins by examining the disadvantages of passive filter circuits, such as inability to amplify and sensitivity of cutoff frequency to load resistance. The document then examines first-order low-pass, high-pass, and bandpass filter circuits using op amps. It discusses designing these filters through component value calculations and scaling. Higher order filters created by cascading multiple first-order sections are also covered. The document concludes by discussing Butterworth filters, which have maximally flat frequency responses.
Libxc is a library of exchange-correlation functionals for density functional theory calculations. It contains over 100 functionals including LDA, GGA, hybrid, and meta-GGA approximations. Libxc is written in C with bindings for C and Fortran and returns values needed for Kohn-Sham equations like the exchange-correlation energy, potential, and derivatives. It has been incorporated into several electronic structure codes.
Ecet 345 Enthusiastic Study / snaptutorial.comStephenson34
ECET 345 Week 1 Homework
1.Express the following numbers in Cartesian (rectangular) form.
2.Express the following numbers in polar form. Describe the quadrant of the complex plane, in which the complex number is located.
Neon and oxygen in stellar coronae - a unification with the SunAstroAtom
This document discusses measurements of the ratio of neon to oxygen (Ne/O) in stellar coronae and how it relates to resolving discrepancies in solar modeling. It finds that the Ne/O ratio increases with stellar activity level in weakly active stars, from around 0.2 for the least active up to 0.4 for more moderate activity levels. These ratios are typical of the quiet Sun. Understanding how elemental abundances like Ne/O vary with activity provides insights into chemical fractionation processes on the Sun and other stars.
Este documento resume las actividades y objetivos de un primer año de estudios en un colegio. Detalla las visitas a la biblioteca, trabajos grupales e interacción en el aula como actividades realizadas. Los objetivos transversales incluyen aprender a compartir, conocer el mundo, ser tolerante y respetuoso. Los objetivos verticales se enfocan en el desarrollo de habilidades de lectoescritura, cálculo y reconocimiento de cambios en la naturaleza, el tiempo y el espacio. Finalmente, identifica interferencias como falta de apoyo
Este documento resume las actividades y objetivos de un primer año de estudios en un colegio. Detalla las visitas a la biblioteca, trabajos grupales e interacción en el aula como actividades realizadas. Los objetivos transversales incluyen aprender a compartir, conocer el mundo, ser tolerante y respetuoso. Los objetivos verticales se enfocan en el desarrollo de habilidades de lectoescritura, cálculo y reconocimiento de cambios en la naturaleza, el tiempo y el espacio. Finalmente, identifica interferencias como falta de apoyo
The document compares the low field electron transport properties in compounds of groups III-V semiconductors by solving the Boltzmann equation using an iterative technique. It calculates the temperature and doping dependencies of electron mobility in InP, InAs, GaP and GaAs. The electron mobility decreases with increasing temperature from 100K to 500K for each material due to increased electron-phonon scattering. Electron mobility also increases significantly with higher doping concentration at low temperatures. The iterative results show good agreement with other calculations and experiments. Electron mobility is highest in InAs and lowest in GaP at 300K, due to differences in their effective masses.
This document discusses collision theory and its development over time to model the temperature dependence of chemical reaction rates. It describes:
1) Early proposals by van't Hoff and Arrhenius that reaction rates depend exponentially on temperature and are characterized by an activation energy.
2) Later developments including Maxwell-Boltzmann distributions, collision cross sections, and the concept of a transition state to account for the fact that not all collisions result in reaction.
3) Eyring and Polanyi's introduction of an equilibrium between reactants and an activated complex or transition state, linking reaction rates to statistical thermodynamics.
The document describes the design and simulation of a 2-input NOR gate in 0.25um CMOS technology. The goal is to minimize propagation delay and area. Various transistor widths and lengths are analyzed to determine the optimal sizing. Shared diffusion is used to reduce parasitic capacitance and area. The final design has a propagation delay of 0.65ns and passes DRC and LVS checks.
Solar Cells Lecture 3: Modeling and Simulation of Photovoltaic Devices and Sy...Tuong Do
The document provides information about a summer school on modeling and simulation of photovoltaic devices and systems being held in July 2011. It outlines the course, which will cover objectives of PV modeling and simulation, device modeling, fundamental limits, system modeling of multijunction devices, and detailed numerical simulation. The instructor is Prof. Jeffery L. Gray of Purdue University and the material is provided under a Creative Commons license.
This document discusses digital communication systems and provides an overview of several key topics:
- It introduces line coding techniques and their properties.
- It describes the basic digital communication block diagram and advantages of digital transmission.
- It discusses intersymbol interference, equalization techniques like zero-forcing equalization, and eye patterns.
- It provides information on topics like noise immunity, regenerative repeaters, and pulse shaping to eliminate intersymbol interference.
Apartes de la Conferencia de la SJG del 14 y 21 de Enero de 2012:Luminosity f...SOCIEDAD JULIO GARAVITO
This document summarizes a statistical analysis that was performed on GRB data from the BATSE detector to estimate luminosity functions and the GRB rate density. The analysis was repeated using a "sanitized" sample that excluded GRBs whose prompt emission was dominated by the P-GRB emission. Different luminosity functions were assumed for five spectral classes. Parameters like the center luminosity, break spectral energy, and GRB rate density at z=0 were calibrated by comparing to values obtained from the sanitized GUSBAD sample. The calibrated model was then used to predict peak photon fluxes and spectral energies.
The document summarizes studies performed on BGO crystals as a potential material for the barrel electromagnetic calorimeter of a particle physics experiment. Measurements were made of the energy resolution of a BGO crystal using a 137Cs radioactive source and varying the integration time of the readout electronics. With an integration time of 100 ns, an energy resolution of 2.3% at 50 MeV was achieved, corresponding to a light yield of at least 37 photons per MeV. Future tests planned include performing similar measurements with CsI crystals and studying the energy resolution using cosmic rays. BGO is considered a viable option for the calorimeter due to its radiation hardness, cost advantages over LYSO, and ability to achieve good energy resolution with integration
This document summarizes a master's thesis that designed a low power successive approximation register (SAR) analog-to-digital converter (ADC) for wireless sensor networks. Key aspects of the design included:
- The SAR ADC was designed in a 28nm CMOS process with 12-bit resolution, 500 kS/s sampling rate, and a supply voltage of 0.5V ±10%.
- An asynchronous SAR architecture was used to allow faster conversion times and lower power consumption compared to a synchronous design.
- The comparator and sampling DAC were sized to meet noise constraints while operating at sub-threshold voltages for low power. Time constraints were also considered for bit conversions.
- Models of
Non-Gaussian perturbations from mixed inflaton-curvaton scenarioCosmoAIMS Bassett
This document discusses perturbations from a mixed inflaton-curvaton scenario of the early universe. It begins with an overview of perturbations from standard single-field inflation models. It then introduces the curvaton scenario, where a subdominant scalar field called the curvaton produces the primordial density perturbations after inflation ends. The document outlines how the curvaton scenario allows for non-Gaussian perturbations and explores constraints on curvaton-dominated theories. It concludes by discussing including perturbations from both the inflaton and curvaton fields in a mixed scenario.
1988 a study of the thermal switching behavior in gd tbfe magneto‐optic films...pmloscholte
1) A study examined the thermal switching behavior of GdTbFe magneto-optic films using two laser beams - a krypton laser (753 nm) to locally heat spots and a semiconductor laser (820 nm) to monitor changes in magnetization.
2) It was observed that magnetization reversal within the heated spots was delayed after the start of heating, with delay times ranging from 200 microseconds to 2 seconds depending on factors like applied field and heating power.
3) Analysis indicated the delayed switching was partly due to the time needed to reach the temperature required for reversal as the spot heated up, though other magnetic processes may also have contributed to the delay.
Nonlinear response of solids with Green's functions and TD-D(P)FTClaudio Attaccalite
This document summarizes nonlinear response theory using real-time propagation of the wavefunction. The wavefunction approach allows calculating nonlinear response to all orders using the same equations of motion. Local fields and excitonic effects are important beyond linear response. Time-dependent density functional theory may provide an alternative, but functionals must depend on both density and polarization to describe nonlinear optics in solids. Developing such functional is an important open problem. Applications include second and third harmonic generation in semiconductors and two-dimensional materials.
This document evaluates the performance of different sonar signals using fusion techniques. It discusses Linear Frequency Modulated (LFM) pulses, Gaussian Nonlinear Frequency Modulated (NLFM) pulses, and Rayleigh NLFM pulses. It generates a new fusion signal combining LFM, Gaussian NLFM, and Rayleigh NLFM signals. The ambiguity functions and range resolution plots of the individual and fusion signals are compared. Parameters like discrimination, merit factor, peak to sidelobe level ratio, and integrated sidelobe level ratio are calculated. The fusion signal is found to provide better range resolution and parameter values compared to the individual signals. Therefore, fusing different sonar signals can improve system performance and target detection capabilities.
This document discusses active filter circuits using operational amplifiers (op amps). It begins by examining the disadvantages of passive filter circuits, such as inability to amplify and sensitivity of cutoff frequency to load resistance. The document then examines first-order low-pass, high-pass, and bandpass filter circuits using op amps. It discusses designing these filters through component value calculations and scaling. Higher order filters created by cascading multiple first-order sections are also covered. The document concludes by discussing Butterworth filters, which have maximally flat frequency responses.
Libxc is a library of exchange-correlation functionals for density functional theory calculations. It contains over 100 functionals including LDA, GGA, hybrid, and meta-GGA approximations. Libxc is written in C with bindings for C and Fortran and returns values needed for Kohn-Sham equations like the exchange-correlation energy, potential, and derivatives. It has been incorporated into several electronic structure codes.
Ecet 345 Enthusiastic Study / snaptutorial.comStephenson34
ECET 345 Week 1 Homework
1.Express the following numbers in Cartesian (rectangular) form.
2.Express the following numbers in polar form. Describe the quadrant of the complex plane, in which the complex number is located.
Neon and oxygen in stellar coronae - a unification with the SunAstroAtom
This document discusses measurements of the ratio of neon to oxygen (Ne/O) in stellar coronae and how it relates to resolving discrepancies in solar modeling. It finds that the Ne/O ratio increases with stellar activity level in weakly active stars, from around 0.2 for the least active up to 0.4 for more moderate activity levels. These ratios are typical of the quiet Sun. Understanding how elemental abundances like Ne/O vary with activity provides insights into chemical fractionation processes on the Sun and other stars.
Este documento resume las actividades y objetivos de un primer año de estudios en un colegio. Detalla las visitas a la biblioteca, trabajos grupales e interacción en el aula como actividades realizadas. Los objetivos transversales incluyen aprender a compartir, conocer el mundo, ser tolerante y respetuoso. Los objetivos verticales se enfocan en el desarrollo de habilidades de lectoescritura, cálculo y reconocimiento de cambios en la naturaleza, el tiempo y el espacio. Finalmente, identifica interferencias como falta de apoyo
Este documento resume las actividades y objetivos de un primer año de estudios en un colegio. Detalla las visitas a la biblioteca, trabajos grupales e interacción en el aula como actividades realizadas. Los objetivos transversales incluyen aprender a compartir, conocer el mundo, ser tolerante y respetuoso. Los objetivos verticales se enfocan en el desarrollo de habilidades de lectoescritura, cálculo y reconocimiento de cambios en la naturaleza, el tiempo y el espacio. Finalmente, identifica interferencias como falta de apoyo
Este documento resume las actividades y objetivos de un primer año de estudios en un colegio. Detalla las visitas a la biblioteca, trabajos grupales e interacción en el aula como actividades realizadas. Los objetivos transversales incluyen aprender a compartir, conocer el mundo, ser tolerante y respetuoso. Los objetivos verticales se enfocan en el desarrollo de habilidades de lectoescritura, cálculo y reconocimiento de cambios en la naturaleza, el tiempo y el espacio. Finalmente, identifica interferencias como falta de apoyo
Stellar and laboratory XUV/EUV line ratios in Fe XVIII and Fe XIXAstroAtom
Talk given by E. Träbert, P. Beiersdorfer , J. Clementson at the 17th International Conference on Atomic Processes in Plasmas, Belfast, UK, 19-22 July 2011.
Artificial intelligence (AI) is everywhere, promising self-driving cars, medical breakthroughs, and new ways of working. But how do you separate hype from reality? How can your company apply AI to solve real business problems?
Here’s what AI learnings your business should keep in mind for 2017.
The document discusses the classification of governing equations for fluid flow based on their mathematical character. There are three main types of classifications: hyperbolic equations where information propagates at a finite speed along characteristics; parabolic equations where information travels in one direction along a single characteristic; and elliptic equations where information propagates equally in all directions with no preferred direction. The Navier-Stokes equations are parabolic for unsteady flows and elliptic for steady flows. The Euler equations depend on compressibility - steady subsonic flows are elliptic while steady supersonic and all unsteady compressible flows are hyperbolic. This classification determines the number of initial/boundary conditions needed to solve the equations.
Current Research on Quantum Algorithms.pptDefiantTones
This document summarizes research on quantum algorithms being conducted at the Institute for Quantum Information and Matter (IQIM). The research objectives include developing improved methods for fault-tolerant quantum computation, new quantum algorithms beyond the hidden subgroup problem, and simulation methods for quantum many-body systems and local quantum systems. Recent progress includes developing quantum algorithms for simulating particle collisions in fermionic quantum field theories and optimal algorithms for preparing topological quantum error correcting codes. Future work will focus on showing problems in quantum field theory are hard, characterizing logical operations in topological codes, and improving bounds on quantum memory times.
This document outlines a talk on simulation of laser-plasma interaction. It discusses using particle-in-cell simulations to model laser propagation and absorption in plasma, which is important for applications like inertial confinement fusion. It notes that parametric instabilities can limit laser intensity in long underdense plasmas and affect absorption. As an example, it describes simulations of laser propagation in plasma coronae for shock ignition fusion, where instabilities like stimulated Raman and Brillouin scattering can cause backscattering and hot electron generation.
This document discusses nuclear reactor theory and modeling approaches. It introduces the neutron flux as the main variable and describes how it is necessary to approximate the behavior of neutrons using methods like Monte Carlo, analytic transport, and diffusion approximations. It then discusses the diffusion approximation and equation in more detail, including the concept of neutron diffusion and boundary conditions. Finally, it discusses moving to multi-group and state-of-the-art nodal methods to more accurately model the energy dependence and heterogeneity in reactors.
1) DUNE aims to resolve the matter-antimatter asymmetry by searching for neutron-antineutron oscillations, a baryon number violating process.
2) Simulations of atmospheric neutrino backgrounds that could mimic the signal are underway using GENIE to determine the viability of detecting oscillations above background levels.
3) If viable, the analysis will consider effects of cosmogenic muons and fast neutrons, with generators for neutron-antineutron interactions in argon under construction.
Presented Presentation on college level about Raman spectroscopy where I describe about Principle and phenomena and their instrumentation and applications to chemistry.
The document discusses ab initio molecular dynamics simulation methods. It begins by introducing molecular dynamics and Monte Carlo simulations using empirical potentials. It then describes limitations of empirical potentials and the need for ab initio molecular dynamics which calculates the potential from quantum mechanics. The document outlines several ab initio molecular dynamics methods including Ehrenfest molecular dynamics, Born-Oppenheimer molecular dynamics, and Car-Parrinello molecular dynamics. It provides details on how these methods treat the quantum mechanical potential and classical nuclear motion.
BoltzTraP is a software tool that uses linearized Boltzmann transport theory to calculate electronic transport properties from first-principles band structures. It can calculate properties like electrical conductivity, Seebeck coefficient, and electronic thermal conductivity. The document discusses applications of BoltzTraP to analyze transport properties of metals and thermoelectric materials. Key applications highlighted include analyzing anisotropy, resistivity temperature dependence, and optimizing the electronic structure of materials for high thermoelectric performance.
Finite Volume Method For Predicting Radiant Heat TransferRajibul Alam
The document discusses using the finite volume method to predict radiant heat transfer. It presents the radiative transfer equation and describes discretizing it using finite volume approximations. Intensity values are determined by tracing rays between nodes and sweeping calculations between surfaces. An iterative process is used to calculate intensity values at nodes and heat transfer rates on surfaces until convergence within thresholds is achieved. The current project status is that a program has been written in FORTRAN95, but desired accuracy has not yet been reached.
This document numerically analyzes the wave function of atoms under the combined effects of an optical lattice trapping potential and a harmonic oscillator potential, as used in Bose-Einstein condensation experiments. It employs the Crank-Nicolson scheme to solve the Gross-Pitaevskii equation. The results show that the wave function distribution responds to parameters like the trapping frequencies ratio, optical lattice intensity, chemical potential, and energy. Careful adjustment of the time step and grid spacing is needed to satisfy conservation of norms and energy as required by the physical system. Distributions of the overlapping potentials for different q-factors are presented.
Quantum chemical molecular dynamics simulations of graphene hydrogenationStephan Irle
Chemical adsorption of hydrogen atoms on graphite
surfaces has attracted considerable interest due to its
relevance for a broad range of areas including
plasma/fusion physics, gap tuning in graphene, and hydrogen storage. We adjusted the C-H repulsive potential of the spin-polarized self-consistent-charge density-functional tight-binding (sSCC-DFTB) method to reproduce
CCSD(T)-based relaxed potential energy curves for the
attack of atomic hydrogen on a center carbon atom of
pyrene and coronene at a tiny fraction of the computational
cost. Using this cheap quantum chemical potential, we performed direct on-the-fly Born-Oppenheimer
MD simulations while “shooting” H atoms with varying collision energies on a periodic graphene target
equilibrated at 300 Kelvin. We compared reaction cross sections for a) elastic collisions, b)
chemisorption reactions, c) penetration reactions in dependence of H/D/T kinetic energies, and found
remarkable differences to previously reported classical MD simulations of the same process. Using the
same potential, in simulations involving the shooting of up to 400 hydrogen atoms on the graphene sheet,
we observed the self-assembly of C4H, a novel polymer with localized aromatic hexagons, in agreement
with recent experimental findings.
Investigation of Steady-State Carrier Distribution in CNT Porins in Neuronal ...Kyle Poe
In this work, the carrier distribution of a carbon nanotube inserted into the spinal ganglion neuronal membrane is examined. After primary characterization based on previous work, the nanotube is approximated as a one-dimensional system, and the Poisson and Schrödinger equations are solved using an iterative finite-difference scheme. It was found that carriers aggregate near the center of the tube, with a negative carrier density of ⟨ρn⟩ = 7.89 × 10^13 cm−3 and positive carrier density of ⟨ρp⟩ = 3.85 × 10^13 cm−3. In future work, the erratic behavior of convergence will be investigated.
Conformal Nonlinear Fluid Dynamics from Gravity in Arbitrary DimensionsMichaelRabinovich
This document summarizes research on constructing solutions to Einstein's equations in arbitrary dimensions d that are dual to fluid dynamics on the boundary. The key points are:
1. Solutions are constructed perturbatively to second order in a boundary derivative expansion and are parameterized by a boundary velocity and temperature field obeying the Navier-Stokes equations.
2. The bulk metric dual to an arbitrary fluid flow on a weakly curved boundary is computed explicitly to second order.
3. The boundary stress tensor dual to these solutions is also computed and expressed in a manifestly Weyl-covariant form involving the velocity, temperature, and their derivatives.
4. Properties of the solutions like the event horizon location and an
Krishna Tripathi presented on NMR spectroscopy. The presentation covered the basic principles of NMR, including spin quantum number, resonance frequency, chemical shifts, and factors that influence chemical shifts. It also discussed instrumentation, relaxation processes, coupling constants, and applications of NMR including 1H NMR, 13C NMR, and electron nuclear double resonance. The presentation provided an overview of the key concepts and applications of NMR spectroscopy.
6) A beam of light with red and blue components of wavelengths.docxalinainglis
6) A beam of light with red and blue components of wavelengths 670 nm and 425 nm,
respectively, strikes a slab of fused quartz at an incident angle of 30o. On refraction, the
different components are separated by an angle of 0.001312 rad. If the index of
refractions of the red light is 1.4925, what is the index of refraction of the blue light?
Week 5 Assignment
Early Quantum Theory
Please solve the following problems. You must show all work for full/partial credit.
When complete, attach a typed cover sheet and submit to the assignment drop-box.
1) The walls of a blackbody cavity are at a temperature of 27o C. What is the frequency
of the radiation of maximum intensity?
2) Assume that a 100 – W light bulb gives off 2.50% of its energy as visible light. How
many photons of visible light are given off in 1.00 min? (Use an average visible
wavelength of 550 nm)
3) What is the energy of photons (joules) emitted by an 107.5-MHz FM radio station?
4) What is the longest wavelength of light that will emit electrons from a metal whose
work function is 3.50 eV?
5) A metal with a work function of 2.40 eV is illuminated by a beam of monochromatic
light. If the stopping potential is 2.5V, what is the wavelength of the light?
6) What is the de Broglie wavelength of a 1000 kg car moving at a velocity of 25 m/s?
7) A hydrogen atom in its ground state is excited to the n = 5 level. It then makes a
transition directly to the n = 2 level before returning to the ground state.
a) What are the wavelengths of the emitted photons?
b) Would any of the emitted wavelengths be in the visible region?
8) What is the longest wavelength light capable of ionizing a hydrogen atom in the
ground state?
Week 6 Assignment
Quantum Mechanics of Atoms
Please solve the following problems. You must show all work for full/partial credit.
When complete, attach a typed cover sheet and submit to the assignment drop-box.
1) What is the minimum uncertainty in the velocity of an electron that is known to be
somewhere between 0.050 nm and 0.10 nm from a proton?
2) The energy of the first excited state of a hydrogen atom is -0.34 eV ± 0.0003 eV.
What is the average lifetime of for this state?
3) Knowing that a free neutron has a mean life of 900 s and a mass of m = 1.67 x 10-
27kg, what is the uncertainty in its mass in kg?
4) For n = 5, l = 4, what are the possible values of and ml and ms?
5) Draw the ground state energy level diagrams for nitrogen (N) and potassium (K).
6) Calculate the magnitude of the angular momentum of an electron in the n = 7, l= 5
state of hydrogen.
Week 7 Assignment
Nuclear Physics
Please solve the following problems. You must show all work for full/partial credit.
When complete, attach a typed cover sheet and submit to the assignment drop-box.
1) What is the approximate atomic radius of
2) What is the approximate radius of a nucleus?
(b) Approximately what is the value.
Okay, let me break this down step-by-step:
* HCl molecule is irradiated with mercury line of wavelength 434.8 nm
* To convert wavelength to wavenumber (cm-1):
Wavenumber (cm-1) = 10000/Wavelength (nm)
* So wavenumber of mercury line = 10000/434.8 = 2302.5 cm-1
* Fundamental vibrational frequency of H-Cl bond (ωe) = 34 cm-1
* Selection rule for Raman transition is Δv = ±1
* Stokes line = Incident wavenumber - Fundamental frequency
= 2302.5 - 34 = 2268.5 cm
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UCSD NANO 266 Quantum Mechanical Modelling of Materials and Nanostructures is a graduate class that provides students with a highly practical introduction to the application of first principles quantum mechanical simulations to model, understand and predict the properties of materials and nano-structures. The syllabus includes: a brief introduction to quantum mechanics and the Hartree-Fock and density functional theory (DFT) formulations; practical simulation considerations such as convergence, selection of the appropriate functional and parameters; interpretation of the results from simulations, including the limits of accuracy of each method. Several lab sessions provide students with hands-on experience in the conduct of simulations. A key aspect of the course is in the use of programming to facilitate calculations and analysis.
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Chapter wise All Notes of First year Basic Civil Engineering.pptxDenish Jangid
Chapter wise All Notes of First year Basic Civil Engineering
Syllabus
Chapter-1
Introduction to objective, scope and outcome the subject
Chapter 2
Introduction: Scope and Specialization of Civil Engineering, Role of civil Engineer in Society, Impact of infrastructural development on economy of country.
Chapter 3
Surveying: Object Principles & Types of Surveying; Site Plans, Plans & Maps; Scales & Unit of different Measurements.
Linear Measurements: Instruments used. Linear Measurement by Tape, Ranging out Survey Lines and overcoming Obstructions; Measurements on sloping ground; Tape corrections, conventional symbols. Angular Measurements: Instruments used; Introduction to Compass Surveying, Bearings and Longitude & Latitude of a Line, Introduction to total station.
Levelling: Instrument used Object of levelling, Methods of levelling in brief, and Contour maps.
Chapter 4
Buildings: Selection of site for Buildings, Layout of Building Plan, Types of buildings, Plinth area, carpet area, floor space index, Introduction to building byelaws, concept of sun light & ventilation. Components of Buildings & their functions, Basic concept of R.C.C., Introduction to types of foundation
Chapter 5
Transportation: Introduction to Transportation Engineering; Traffic and Road Safety: Types and Characteristics of Various Modes of Transportation; Various Road Traffic Signs, Causes of Accidents and Road Safety Measures.
Chapter 6
Environmental Engineering: Environmental Pollution, Environmental Acts and Regulations, Functional Concepts of Ecology, Basics of Species, Biodiversity, Ecosystem, Hydrological Cycle; Chemical Cycles: Carbon, Nitrogen & Phosphorus; Energy Flow in Ecosystems.
Water Pollution: Water Quality standards, Introduction to Treatment & Disposal of Waste Water. Reuse and Saving of Water, Rain Water Harvesting. Solid Waste Management: Classification of Solid Waste, Collection, Transportation and Disposal of Solid. Recycling of Solid Waste: Energy Recovery, Sanitary Landfill, On-Site Sanitation. Air & Noise Pollution: Primary and Secondary air pollutants, Harmful effects of Air Pollution, Control of Air Pollution. . Noise Pollution Harmful Effects of noise pollution, control of noise pollution, Global warming & Climate Change, Ozone depletion, Greenhouse effect
Text Books:
1. Palancharmy, Basic Civil Engineering, McGraw Hill publishers.
2. Satheesh Gopi, Basic Civil Engineering, Pearson Publishers.
3. Ketki Rangwala Dalal, Essentials of Civil Engineering, Charotar Publishing House.
4. BCP, Surveying volume 1
How to Setup Warehouse & Location in Odoo 17 InventoryCeline George
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Strategies for Effective Upskilling is a presentation by Chinwendu Peace in a Your Skill Boost Masterclass organisation by the Excellence Foundation for South Sudan on 08th and 09th June 2024 from 1 PM to 3 PM on each day.
LAND USE LAND COVER AND NDVI OF MIRZAPUR DISTRICT, UPRAHUL
This Dissertation explores the particular circumstances of Mirzapur, a region located in the
core of India. Mirzapur, with its varied terrains and abundant biodiversity, offers an optimal
environment for investigating the changes in vegetation cover dynamics. Our study utilizes
advanced technologies such as GIS (Geographic Information Systems) and Remote sensing to
analyze the transformations that have taken place over the course of a decade.
The complex relationship between human activities and the environment has been the focus
of extensive research and worry. As the global community grapples with swift urbanization,
population expansion, and economic progress, the effects on natural ecosystems are becoming
more evident. A crucial element of this impact is the alteration of vegetation cover, which plays a
significant role in maintaining the ecological equilibrium of our planet.Land serves as the foundation for all human activities and provides the necessary materials for
these activities. As the most crucial natural resource, its utilization by humans results in different
'Land uses,' which are determined by both human activities and the physical characteristics of the
land.
The utilization of land is impacted by human needs and environmental factors. In countries
like India, rapid population growth and the emphasis on extensive resource exploitation can lead
to significant land degradation, adversely affecting the region's land cover.
Therefore, human intervention has significantly influenced land use patterns over many
centuries, evolving its structure over time and space. In the present era, these changes have
accelerated due to factors such as agriculture and urbanization. Information regarding land use and
cover is essential for various planning and management tasks related to the Earth's surface,
providing crucial environmental data for scientific, resource management, policy purposes, and
diverse human activities.
Accurate understanding of land use and cover is imperative for the development planning
of any area. Consequently, a wide range of professionals, including earth system scientists, land
and water managers, and urban planners, are interested in obtaining data on land use and cover
changes, conversion trends, and other related patterns. The spatial dimensions of land use and
cover support policymakers and scientists in making well-informed decisions, as alterations in
these patterns indicate shifts in economic and social conditions. Monitoring such changes with the
help of Advanced technologies like Remote Sensing and Geographic Information Systems is
crucial for coordinated efforts across different administrative levels. Advanced technologies like
Remote Sensing and Geographic Information Systems
9
Changes in vegetation cover refer to variations in the distribution, composition, and overall
structure of plant communities across different temporal and spatial scales. These changes can
occur natural.
Philippine Edukasyong Pantahanan at Pangkabuhayan (EPP) CurriculumMJDuyan
(𝐓𝐋𝐄 𝟏𝟎𝟎) (𝐋𝐞𝐬𝐬𝐨𝐧 𝟏)-𝐏𝐫𝐞𝐥𝐢𝐦𝐬
𝐃𝐢𝐬𝐜𝐮𝐬𝐬 𝐭𝐡𝐞 𝐄𝐏𝐏 𝐂𝐮𝐫𝐫𝐢𝐜𝐮𝐥𝐮𝐦 𝐢𝐧 𝐭𝐡𝐞 𝐏𝐡𝐢𝐥𝐢𝐩𝐩𝐢𝐧𝐞𝐬:
- Understand the goals and objectives of the Edukasyong Pantahanan at Pangkabuhayan (EPP) curriculum, recognizing its importance in fostering practical life skills and values among students. Students will also be able to identify the key components and subjects covered, such as agriculture, home economics, industrial arts, and information and communication technology.
𝐄𝐱𝐩𝐥𝐚𝐢𝐧 𝐭𝐡𝐞 𝐍𝐚𝐭𝐮𝐫𝐞 𝐚𝐧𝐝 𝐒𝐜𝐨𝐩𝐞 𝐨𝐟 𝐚𝐧 𝐄𝐧𝐭𝐫𝐞𝐩𝐫𝐞𝐧𝐞𝐮𝐫:
-Define entrepreneurship, distinguishing it from general business activities by emphasizing its focus on innovation, risk-taking, and value creation. Students will describe the characteristics and traits of successful entrepreneurs, including their roles and responsibilities, and discuss the broader economic and social impacts of entrepreneurial activities on both local and global scales.
it describes the bony anatomy including the femoral head , acetabulum, labrum . also discusses the capsule , ligaments . muscle that act on the hip joint and the range of motion are outlined. factors affecting hip joint stability and weight transmission through the joint are summarized.
Pengantar Penggunaan Flutter - Dart programming language1.pptx
An R-matrix approach for plasma modelling and the interpretation of astrophysical observation
1. An R-matrix approach for plasma
modelling and the interpretation of
astrophysical plasmas
th
July 27 , Queen's University, ICPEAC 2011
Connor Ballance
Auburn University
Collaborators : T G Lee, S D Loch, M S Pindzola (AU)
: N R Badnell ( Strathclyde )
: B M McLaughlin (QUB)
: M A Bautista (WMU)
Supported by : US DoE Fusion Energy Sciences
2. Overview
● Introduction : Comprehensive approach to plasma
modelling, our current capabilities
and future directions.
● Electron-impact ionisation : high n shell ionisation
● Electron-impact excitation : scripted R-matrix calculations
: parallel DARC code
: Fe-Peak elements and beyond
● Photo-ionisation of Mid-Z elements : parallel dipole (DARC)
codes
3. Introduction
● In recent years, EIE R-matrix calculations, have moved beyond
the isolated, one-off serial calculations to parallel calculations
along entire iso-nuclear/iso-electronic sequences
Witthoeft et al 2007 (J. Phys. B Vol 40)
Liang and Badnell 2010 (Astron. Astrophys. Vol 518 A64)
Perl-scripted calculations, automatically calculate tabulated
every effective collision strength for all transitions
from user given structure.
● This data is stored in a well-prescribed format that includes
the atomic configurations, the energy levels, the A-Values
for all E1,E2,M1,M2 transitions, Maxwellian averaged
collision strengths for a range of temperatures and the
Born/Bethe infinite energy limit points. (why?)
.
5. Introduction
● Modern computing archictectures have over 100,000
cpu cores
Kraken, NICS Oak Ridge, TN (Cray )
Hopper, NERSC, Berkley, CA (Cray)
and if utilised correctly, can support PetaFlop/sec calculations.
● The serial codes (1973-1999) could take a week(s)
to calculate an ion stage. The first generation of parallel
codes (2-3 hundred levels, 1-2 thousand channels) a day
● Now we need adapt to (1-3 thousand level calculations
with 5-20 thousand channels) if we are to address open
p-and-d shell systems.
7. The importance of excited state
ionisation
Effective ionisation rates include the contribution of excited state ionisation,
●
which becomes computationally demanding for non-perturbative methods
such the RMPS
Allain et al 2004
Nucl. Fusion 44, 655 (2004)
How do we employ the RMPS
method effectively, for high
n shell ionisation ?
The calculation of ionisation
from every term of a high
n can be an order of magnitude
more computationally demanding
than the groundstate alone.
8. There are many non-perturbative
ionisation cross-sections from the
groundstate
For example, consider the closed shell groundstate of neutral neon
Groundstate Excited terms
9. However systems with several valence electrons soon become problematic
Consider the all LS coupling electron-impact ionisation (both ground and excited) state
from a boron-like system such as B I / C II
This will require ionisation from : 1s^2 2s^2 nl (where n=2-4, l=0-3)
: 1s^2 2s 2p^2
: 1s^2 2p^3 (for C II )
In addition to the above spectroscopic terms, we shall require minimum pseudostate
expansions of the form:
1. 1s^2 2s^2 nl (where n=5,14,l=0-6)
2. 1s^2 2s 2p nl (where n=5,14,l=0-6)
3. 1s^2 2p^2 nl (where n=5,14,l=0-6)
If you want to calculate
a) Direct ionisation of the outer shell electron
b) Direct ionisation of the 2s electron
c) All the excitation-autoionisations from every term ie. e + 1s^2 2s^2 3s
--> 1s^2 2s2p 3s
Well, 1444 terms , approximately 5000 close-coupled channels and 5 Tb of
Hamiltonian matrices requiring diagonalisation poses an interesting challenge ...
10. This represents the current work, that extends beyond naively splitting the
serial problem over more processors, to one in which the parallel code
adapts to a particular problem
Hamiltonian formation
1. Serial : Each partial wave is calculated consecutively ( 50-100 ) .... a month
2. Naive parallelism : each partial wave is carried out concurrently .... 3 days
(remember a single partial wave > 200 Gbs) .... 100 procs
3. Adaptive parallelism : As well as each partial wave being carried out concurrently
the target terms are grouped into their L S Pi groups
(perhaps 20-40 unique groups) .... 2000-4000 procs … 4hrs
RESULT : Hamiltonian formation is reduced scattering from a set of target terms with the
same L S Pi values.
Hamiltonian diagonalisation
1.Serial : Impossible ! Every eigenvalue of a 200 K by 200 K Hamiltonian
2. Naive parallelism : sequential parallel diagonalisation using Scalapack, possible,
but regardless of diagonalisation time, you must read 5 Tb .... 4 days
3.Adaptive parallelism : Each Hamiltonian is concurrently diagonalised in parallel , with
an n^3 scaling law controlling the distribution of processors … 5 hrs
11. RESULT : Adaptive diagonalisation ---> 1 Hamiltonian read, 1 diagonalisation
Better load balancing as processing power is distributed to where it is needed
12. Electron-impact ionisation of neutral Boron , n=3 shell
Notice: large excitation-autoionisation (EA) i.e. e + 1s^2 3l --> 1s^2 2s 2p 3l + e
3d
3p
3s
Large EA destroys any n^4 scaling law (or rescaling of an empirical formula) needed
to extrapolate to higher n shell ..... solution ?
13. If we can explicitly caculate to high enough n shell, that the direct ionisation
completely dominates over EA , then we can scale simple ionisation expressions from
the last explicitly calculated n shell shell of the RMPS
Below , we have statistically averaged the term resolved RMPS results used
to rescale an expression, such as the Burgess-Vriens for the higher n shells.
n=4
B
+
B
n=4
2+
B n=5
14. Excited state ionisation from
higher charged ions
Higher partial waves begin to
dominate the cross section, for
high n , multiply charged systems
Convergence is very slow
Comparisons with distorted
wave are favourable, again
RMPS becomes computational
Demanding, requiring
110-130 pseudo-orbitals
ranging from n=6-16,18 and l=0-10
to achieve convergence
Time : distorted wave (15 mins)
RMPS (4 hrs)
Distorted wave (Younger Potential)
Distorted Wave (Macek Potential)
RMPS
16. Scripted Semi-relativistic ICFT (Intermediate Coupling Frame Transformation)
R-matrix calculations
● Intermediate Coupling Frame Transformation, developed by D C Griffin is an
R-matrix approach primarily carried out in LS coupling but including mass-velocity
and Darwin terms, that transforms term-resolved K-matrices into level-level
K-matrices, and ultimately level resolved excitation rates. Provides comparable
cross sections to the Breit-Pauli R-matrix codes.
● A perl-script has been developed that automatically takes structure calculations
for atomic ions Z < 36 , through to effective collision strengths for ALL ions along
an iso-electronic sequence
Example Papers:
G. Y. Liang et al Astron. Astrophys. 528 A69(15) (2011). Li-like sequence
G. Y. Liang et al Astron. Astrophys. 518 A64(20) (2010). Neon sequence
G. Y. Liang et al J. Phys. B 42 225002(12) (2009). Na-like sequence
M. C. Witthoeft et al J. Phys. B 40 2969-93 (2007). Fl-like sequence
Typically 100-300 levels calculations, with 1000-1500 channels
17. However, eventually as Z increases we must adopt the
a parallel version of relativistic R-matrix codes.
DARC (Dirac Atomic R-matrix Code)
● These codes have been modified in an analguous way to the non-relativistic codes
- distribution of integral generation
- multi-layered parallelism of the Hamiltonian formation
- Concurrent adaptive diagonalisation of the Hamiltonian
Excitation/ionisation
of Mo II
0.6 billion Racah coefficients
per symmetry 4d^5,4d^4 4f-5f
This is preparation
8000-10000 channels calculation for future
still a challenge W ion stages.
18. e.g. DARC calculations for Fe III
Target :
3d^6, 3d^54s, 3d^54p, 3p^43d^8, 3p^53d^7 (2-3 hundred level)
ideally now we would add (3p^54d, 3p^43d^74s ,3p^43d^74p)
which if we keep to 0.0-0.5 Ryds, provides a satisfactory description of Fe III
19. e.g. DARC calculations for Fe II
Before After
(Ith -Iobs)/Iobs
Collision strengths : Zhang 1992 Collision stengths : parallel DARC
A-values : Nahar and Pradhan A-values : HFR (cowan)
20. ICFT DARC
A typical collision strength within the groundstate complex of Fe III
illustrates the need for a very fine energy mesh !
21. However, if we want continued scaling to 5-12 thousand close-coupled
channels, reconsider electron-impact ionisation of B I
* 1444 terms
* 5000 channels ,
* Hamiltionian Matrices close to 200,000 by 200, 000 in size
* over 1 million possible transitions
But the formation of the R-matrix is crippling in both memory and the time
required! .... cannot be left to a single processor
W ik * W kj 200 000 * 5000 * 8 * 2
R
ij = k
E-E = 16 Gb ! (takes mins )
k
0.2 Gb N slices
w ik / E - E k
w
= kj
5000*5000*8
24. We can also adapt the distribution of processors to energy points in the outer region
Test run : 4 partial waves
Se III (225 levels): 437,737,748,1017 channels
12,000 pts
. CPU TIME= 1.380 MIN -- processors=: 250 sub world 0
CPU TIME= 3.851 MIN -- processors=: 250 sub world 1
CPU TIME= 3.990 MIN -- processors=: 250 sub world 2
CPU TIME= 6.496 MIN -- processors=: 250 sub world 3
Suggested Proc distribution: 89 245 253 413
CPU TIME= 3.563 MIN -- processors=: 245 sub world 1
CPU TIME= 3.868 MIN -- processors=: 413 sub world 3
CPU TIME= 3.869 MIN -- processors=: 89 sub world 0
CPU TIME= 3.977 MIN -- processors=: 253 sub world 2
-------------------------------------------------------------
Another 2.5 mins saved .... better balance of resources
RECAP
26. An overview of the parallel DARC dipole photoionisation codes
27. An overview of the parallel DARC dipole photoionisation codes
● The parallel dipole suite of codes, benefit from the changes made from excitation
All the eigenvectors from a pair of dipole allowed symmetries are required
for bound-free dipole matrix formation
The current approach ensures that every dipole matrix pair is carried out concurrently
●
with groups of processors assigned to an individual dipole.
RESULT : ALL photoionisation, dielectronic-recombination or radiative-damped
excitation takes the time for a single dipole formation
● The capacity to perform photoionisations calculations with over 500 levels, improves
the residual ion structure, the ionisation potential and resonance structure associated
with over 3500 channels.
As the code scales to 100,000 processors , we can have a resolution of 10^(-8) Rydbergs
●
ie (6-30 million pt) in the incident photon energy, which is vital when comparing with
ALS measurements at 4,6,9 meV.
● Of course, theoretical calaculations can guide experimental measurement and
determine metastable fractions in experimental measurement.
28. Example : Groundstate Photoionisation of Ca II (work in progress)
Target : 3p^6,
3p^5[4s-5p]
3p^4 3d 4s hv + Ca II (^2 S) 3p^64s
3p^4 3d 4p
3P^4 3d 4d which gives rise to 513 levels
Experiment : Lyon (1987)
ALS(2010)
Theoretical : DARC R-matrix
Currently, the theoretical model
is only from the groundstate,
with metastable calculations
ongoing.
29. Example : Photoionisation of Kr II and Xe II
● Used a 326 level model for the residual ion in both cases
●
Target configurations for K III include : 4s^2 4p^4
4s 4p^5
4p^6
4s^2 4p^2 4d^2
4s^2 4p^3 4d
4s 4p^4 4d
4p^4 4d^2
● Target configurations for Xe III (exactly the same : switching n=4 to 5)
● In the following graphs the R-matrix results have been statistically averaged
over the initial p^5 levels