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- 1. THERMAL SCIENCES 8 MAR 2012 Joan Fuller Program Manager AFOSR / RSA Integrity Service Excellence Air Force Research Laboratory 19 March 2012 DISTRIBUTION A: Approved for public release; distribution is unlimited.
- 2. Energy, Power and Propulsion - 61102F Thermal Sciences MOTIVATION – Exploiting Phonons Thermal is the limiting factor for AF operations• The study of phonons - from TPS for launch platforms is a TM dictates CONOPS for PGS nanoscale, microscale or larger significant obstacle for scales – to enable the useable launch. manipulation of phonons (aka Thermal control for maneuverable launch – phononics) to enable a new digital propulsion is a key technology enabler TM dictates system weight technological frontier with a and volume of directed energy potential impact that could match weapon TM dictates that of electronics almost half a And beamed energy operating environment of century ago. propulsion concepts LRS SCIENTIFIC CHALLENGES PAYOFF• Developing the science base to • Ultra-low conductivity: dense understand and control of thermal materials with conductivity transport in heterogeneous significantly below the predicted materials. minimum for an isotropic solid.• Exploiting the interactions among • Techniques for controlling phonons, photons and electrons conductive thermal transport and their interactions with through excitation and surrounding material. manipulation of coherent phonons in a target materials. 2 DISTRIBUTION A: Approved for public release; distribution is unlimited 2
- 3. Energy, Power and Propulsion - 61102F Thermal Sciences Industry, 100 Lab Task, 1,529 Interfacial Modeling Design, 1,742 and University, Simulation, 4,902 2,635 Metrology, 2,153 Distinguished Researchers: • 7 Professional Society Fellows • 1 Elsevier-Materials Science and Engineering Young Researcher Award • 2011 Fritz London Memorial Prize PE Code FY11 FY12 Recipient 61102F 4,052 4,206 • ASME Orr Award, ASME Bergles- 61103F 2,379 2,449 Rohsenow Award 65502F 100 100 • 8 NSF Career awardees 6,531 6,754 • 1NDSEG Fellowship • 4 YIP winners • 117 peer reviewed papers (over 3 yearCollaborations/Partnerships: span).•AFOSR Lead, AFRL Thermal Management Steering Committee• Member of the ASD R&E Power and Energy COI•Ongoing collaboration with NSF, ONR and DOE relevant programs 3 DISTRIBUTION A: Approved for public release; distribution is unlimited
- 4. SCIENTIFIC CHALLENGES• A leading fundamental problem is multicarrier interfacial transport (electron & phonon nonequilibrium), which is distinct from the single- carrier focus of most prior research.• Another challenge is when one of the bounding media has nanoscale lateral dimensions, e.g., a nanowire or CNT contact.• Both of these fundamental problems are complicated by materials (e.g., GeSbTe compounds for phase change memory) where both electrons and phonons contribute at comparable levels to the thermal conductivity. 4 DISTRIBUTION A: Approved for public release; distribution is unlimited
- 5. Sub-area 1: Nano scale thermal transport – far field and near field. Scientific Gaps – Interface effects are not accounted for • Strain, lattice mismatch, atom mixing are neglected – Discrepancy between predictions and experimental data remain • Phonon modes and polarization vectors are not considered • Contribution of long wavelength and small Discrepancy between wavelength phonon modes are not experiment and prediction decoupled Ju and Goodson, 1999 – Near field thermal transport phenomenon in general is poorly understood 5 DISTRIBUTION A: Approved for public release; distribution is unlimited
- 6. Sub area 2: Heat removal for large scale heat flux situations• Scientific Gaps: – Current heat sinks are not capable of carrying away heat densities >100 W/cm2 – Physical mechanisms of convective heat transfer are unclear when surfaces are modified by nano structured features – Plenty of room for novel phase transformation concepts, but not being explored PI: Andy Williams Space Vehicles Directorate 6 DISTRIBUTION A: Approved for public release; distribution is unlimited
- 7. Sub Area 3: Thermal storage and conversionScientific Gaps • How do we tackle irregular and massive thermal transients – Science-base to develop materials for high rates of thermal energy storage and release for thermal transients is lacking – Current thermal storage research is based on very traditional materials not suitable for future Air Force systems 7 DISTRIBUTION A: Approved for public release; distribution is unlimited
- 8. Program TrendsFar field and near field thermal transportHeat removal for large scale heat flux situationsThermal storage and conversionREBRANDING the portfolio – Condensed Matter Physics with an emphasis on PHONONS 8 DISTRIBUTION A: Approved for public release; distribution is unlimited
- 9. Other Organizations that Fund Related Work• DOE – A major thrust is nanoscale science, where links between the electronic, optical, mechanical, and magnetic properties of nanostructures including strongly correlated electron systems, quantum transport, superconductivity, magnetism, and optics.• NSF – Heat and mass transfer, biological and environment systems, large investment in thermoelectric materials for automobiles, broad engineering and societal impact• DARPA – Thermal management technologies• ONR – Nano lubricants, jet impingement, coolants, magnetic refrigeration, cooling power electronic modules, ship level thermal management tool• ARO – Thermal management materials and novel thermal property characterization• ARPA-E – Industrial and consumer related large scale storage issues 9 DISTRIBUTION A: Approved for public release; distribution is unlimited
- 10. Current State of the art in understanding thermal transport• Current SOA for thermal transport across and interface are based on the assumption that phonon transport proceeds via a combination of either ballistic or diffusive transport on either side of the interface. – Acoustic mismatch theory (AMM) (Little, 1959) – Diffuse mismatch theory (DMM) (Swartz and Pohl 1989)• Both of these theories offer limited accuracy for nanoscale interfacial resistance predictions because of they neglect the atomic details of actual interfaces. – e.g. The AMM model assumes that phonons are transported across the interface w/o being scattered (ballistic) – And the DMM model assumes the opposite – that phonons are scattered diffusively.• So in fact, these two models serve as upper and lower limits on the effect of scattering on the interfacial thermal resistance. 10 DISTRIBUTION A: Approved for public release; distribution is unlimited
- 11. REALITY• BUT in both numerical and experimental studies in nanostructures ranging from nanowires to polyethylene nanofibers all show that phonons undergo anomalous diffusion• - i.e. so termed superdiffusion -, being faster than normal diffusion but slower than ballistic transport.• Therefore, it is necessary to establish an improved theory describing thermal transport across the interface by taking into account the anomalous thermal transport characteristics of nanostructures. 11 DISTRIBUTION A: Approved for public release; distribution is unlimited
- 12. Thermal Conductivity from First Principles Alan McGaughey, YIP, CMU Quantum-Mechanics Driven Prediction of Nanostructure Thermal Conductivity • Describing the atomic interactions• Quantum effects areimportant Taylor expansion about the equilibrium energy E0 and N atoms − Atomic interactions Goes to zero − Occupation numbers• Bottom-up thermalconductivity prediction Harmonic force constant − Which modes dominate transport? − How to control scattering? Anharmonic term: Phonon properties are obtained from• Thermal transport in herenanostructures − Strategies for • Force constants can come from empirical potentials tailoring properties or quantum mechanics − Multi-physics • Used in anharmonic lattice dynamics calculations to challenges predict phonon properties 12 DISTRIBUTION A: Approved for public release; distribution is unlimited
- 13. Thermal Conductivity from First PrinciplesA method by which the thermal conductivity of a nanostructure with arbitrarygeometry can be predicted through Monte Carlo sampling of the free paths associated withphonon-phonon and phonon-boundary scattering. Applied Physics Letters 100, 061911, 2012 Mean free path INPUTS: Mode volumetric specific heat 1. nanostructure In-plane and cross geometry, plane thermal 2. bulk phonon conductivity predictions Group for thin films (20nm and frequencies, 10micron) velocity 3. group velocities vector 4. and mean free paths This method predicts a larger thermal conductivity and a faster approach to the bulk thermal conductivity than what is predicted by the Matthiessen rule. 13 DISTRIBUTION A: Approved for public release; distribution is unlimited
- 14. Phonon-Electron Transport Ruan - Purdue new simulation methods based on two-temperature model, molecular dynamics, and ab initio calculations to predict CNT-metal thermal interface resistance. challenge in dealing with electron-phonon coupling, and the lack of accurate interatomic potentials across CNT-metal interface. Comparison Between MD,TTM-MD And Experiments Interfacial Thermal Resistance (mm2K/W) 6 Conventional MD TTM-MD 5 Experiment,Goodson,2010 Experiment, Fisher, 2007 4 3Still lower than experiment 2 Defects 1 Pressure 0 Quantum effects 0 0.5 1 1.5 2 CNT Engagement Volume Fraction (%) 14 DISTRIBUTION A: Approved for public release; distribution is unlimited
- 15. Nano scale Enabled Thermal Transport Leonid Zhigilei, UVA Mesoscopic Modeling of Heat Transfer in Nanofibrous Materials • Develop a mesoscopic model capable of modeling structural self- organization and thermal transport in nanofibrous materialsbundles 2D/3D networks • Account for − Interfacial CNT-CNT and CNT-matrix heat transfer parameterization of the mesoscopic model nanocomposite − Nanofibrous structures of increasing complexity − Monte Carlo calculation of statistical averages for quantities entering the theoretical equations •Atomistic MD simulations of energy dissipation and heat transfer in individual CNTs are performed and are being extended to groups of interacting CNTs •Scaling laws for thermal conductivity of straight bundles and isotropic networks of straight nanofibers are derived analytically and verified in Monte Carlo simulations 15 DISTRIBUTION A: Approved for public release; distribution is unlimited
- 16. Nanostructure Phonon Characterization Paul Evans-- University of Wisconsin Martin Holt-- Argonne New low-frequency zone boundary modes2 nm Si wiresBecker et al., J. Appl. Phys. 99, 123715 (2006). Challenges with Phonon characterization In conjunction with microbeam techniques, phonon• Zone boundary phonons require large momentum studies from single grains in all materials should be possible. transfer• Visible photons don’t have enough momentum• Inelastic x-ray and neutron scattering require large volumes• Thermal diffuse x-ray scattering offers the potential to 200 m-thick bulk 80nm-thick thin film probe modest volumes withDISTRIBUTION A: Approved for public release; distribution is unlimited large momentum transfers 16
- 17. Phononics: A New Science and Technology of Controlling Heat Flow and Processing Information by Phonons• Shape of things to come-- Phononiccomputer processes information with heat• In addition to electronic computers and (theoretical) opticalcomputers, we now have heat-based computers; suchcomputers are based on logic gates in which inputs and outputsare represented by different temperatures; in run-of-the-millelectronic computers, inputs and outputs are represented bydifferent voltages. 17DISTRIBUTION A: Approved for public release; distribution is unlimited Physics World, 2008
- 18. Dr. Baowen Li, University of Singapore – world leader 18
- 19. Phononics: Manipulating heat flow with electronic analogues and beyond• Heat due to lattice vibration is usually regarded as harmful for information processing. However, studies in recent years have challenged this mindset.• Baowen Li (University of Singapore) has recently reported/demonstrated via numerical simulation, theoretical analysis and experiments that phonons can be manipulated like electrons. They can be used to carry and process information. Colloquium: Phononics Coming to Life: Manipulating Nanoscale Heat Transport and Beyond , Physical 19 Review Letters. 2011 DISTRIBUTION A: Approved for public release; distribution is unlimited
- 20. Thermal Sciences 2012• Exciting, rapidly expanding multidisciplinary community.• Supporting the world’s leading theorists and experimentalists.• Exploring new phononic phenomena and …• Creating new experimental tools• With the goal of enhancing the AF of tomorrow! DISTRIBUTION A: Approved for public release; distribution is unlimited 20

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