This document summarizes structural characterization techniques for amorphous materials. It discusses how amorphous materials have short-range order dominated by atomic bonding but no long-range translational order. Common characterization methods measure pair distribution functions to determine local structure. Structure varies between classes of amorphous materials like metallic glasses, molecular glasses, and covalent network glasses.
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A presentation on Molecular Beam Epitaxy made by Deepak Rajput. It was presented as a course requirement at the University of Tennessee Space Institute in Fall 2008.
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A presentation on Molecular Beam Epitaxy made by Deepak Rajput. It was presented as a course requirement at the University of Tennessee Space Institute in Fall 2008.
Perovskite: introduction, classification, structure of perovskite, method to synthesis, characterization by XRD and UV- vis spectroscopy , lambert beer's law, material properties and advantage and application.
Ceramic materials are inorganic , nonmetallic
materials
made from compounds of a metal and a non metal.
Ceramic materials may be crystalline or partly crystalline.
The word ceramic comes from the Greek word keramiko
of pottery" or for pottery from keramos.
Ceramics materials are the phases containing a
compounds of metallic and nonmetallic
elements. In short
ceramics are the inorganic non metallic materials such as
silicates, aluminates, oxides, carbides, borides and
hydroxides. Since there are many possible combinations
of metallic and nonmetallic
atoms and there are many
several structural arrangement of each combination.
Ceramics always composed of more than one element.
Bonds are partially or totally ionic, can have combination
of ionic and covalent bonding (electronegativity)
Perovskite: introduction, classification, structure of perovskite, method to synthesis, characterization by XRD and UV- vis spectroscopy , lambert beer's law, material properties and advantage and application.
Ceramic materials are inorganic , nonmetallic
materials
made from compounds of a metal and a non metal.
Ceramic materials may be crystalline or partly crystalline.
The word ceramic comes from the Greek word keramiko
of pottery" or for pottery from keramos.
Ceramics materials are the phases containing a
compounds of metallic and nonmetallic
elements. In short
ceramics are the inorganic non metallic materials such as
silicates, aluminates, oxides, carbides, borides and
hydroxides. Since there are many possible combinations
of metallic and nonmetallic
atoms and there are many
several structural arrangement of each combination.
Ceramics always composed of more than one element.
Bonds are partially or totally ionic, can have combination
of ionic and covalent bonding (electronegativity)
X-Ray Diffraction head points:
Introduction
History
How Diffraction Works
Demonstration
Analyzing Diffraction Patterns
Solving DNA
Applications
Summary and Conclusions
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Camille Bishop, a 5th-year graduate student working in Mark Ediger’s group as part of the MRSEC IRG 1, presented her work on liquid crystal-like order in vapor-deposited glasses at the Gordon Conference on Liquid Crystals in New London, NH that took place from July 7th-12th, 2019.
The poster shows a wide range of different organic glasses created using physical vapor deposition, a thin film fabrication technique. How to control and tune the molecular organization in these structured glasses is discussed. Control of the structure in these sorts of materials should enable them to be applied to novel organic electronics.
Yajin Chen presented her work on the use of solid-phase epitaxy to create epitaxial complex-oxide interfaces that have promising electronic properties at the APS March Meeting 2019 in Boston, MA. The presented work is a part of a collaborative project with Prof. Charles H. Winter’s group in the Department of Chemistry at Wayne State University. Epitaxial RAlO3/SrTiO3 (R = La, Pr, Nd) oxide interfaces can produce a two-dimensional electron gas (2DEG), but the creation of those interfaces is limited to 2D geometries. Intricate geometries of epitaxial oxide thin films can be created by crystallizing the amorphous layers with thermal heating, which is termed solid-phase epitaxy. Atomic layer deposition (ALD) is employed to deposit the amorphous layers because ALD allows for the conformal deposition of thin films over non-planar surfaces. Prof. Winter’s group successfully developed the growth of amorphous PrAlO3 thin films by ALD. Epitaxial PrAlO3 thin films were achieved on single-crystal (001) SrTiO3 substrates with solid-phase epitaxy through the development of new ALD procedures, by understanding of the crystallization kinetics, and by probing the microstructure and interface structures of the crystallized thin films.
Presented by Peng Zuo at International Conference on Crystal Growth and Epitaxy (ICCGE-19) in Keystone CO, July 28-August 2, 2019.
Solid phase epitaxy (SPE) is a promising approach for expanding the applications of epitaxial complex oxides by providing access to a broader range of compositions and enabling their formation in complex geometries. The SPE of PrAlO3 on SrTiO3 serves as a model system. The interfaces between lanthanide aluminates and SrTiO3 are also of practical interest because these interfaces can host a two-dimensional electron gas. Amorphous PrAlO3 layers were deposited on the SrTiO3 (001) by atomic layer deposition using tris(isopropylcyclopentadienyl)praseodymium (Pr(C5H4iPr)3), trimethylaluminum (AlMe3) and water.
Master's thesis defense presentation by Valentin Paul. Presented 8/5/2019 for the Department of Engineering Physics at the University of Wisconsin-Madison
Presented by Dr. Mark Ediger
Part of the 2019 MRSEC Summer Seminar Series
The thermodynamics of glasses were reviewed and how the state of a glass is influenced by different methods of preparation was briefly described. A qualitative description of glasses within the framework of the potential energy landscape was presented, with an emphasis on the configurational entropy. Relaxation processes in glasses were also discussed, including physical aging, sub-Tg relaxations, and quantum tunneling two-level systems. Along the way, the audience was led to understand what is wrong with these statements: 1) All glasses with a given composition have the same properties. 2) Nothing can move in a glass. 3) There is nothing interesting about glasses.
Presented by Dr. John Perepezko as part of the 2019 MRSEC Summer Seminar Series. MRSEC hosted this inaugural series of pedagogical seminars for the benefit of students and postdocs interested in a deeper dive into selected topics. Presentations are selected based on topics requested by students.
This presentation covers the basic reaction pathways controlling the crystallization of amorphous materials. The topics include a survey of nucleation kinetics, phase section thermodynamics, growth kinetics and the representation of the overall transformation kinetics. Some of the ways that the popular analysis methods are used and abused are highlighted and the importance of incorporating a detailed microstructure evaluation in any kinetics analysis is pointed out.
Mark D. Ediger (University of Wisconsin-Madison) presents at the Fred Kavli Special Symposium: From Unit Cell to Biological Cell at the APS March Meeting 2019 in Boston, MA. View abstract below.
-------------------------------------------------
The Design And Growth Of Ultra-Stable Glasses
-------------------------------------------------
Glasses are generally regarded as highly disordered and the idea of "controlling" molecular packing in glasses is reasonably met with skepticism. However, as glasses are non-equilibrium materials, a vast array of amorphous structures are possible in principle. Physical vapor deposition (PVD) allows a surprising amount of control over molecular packing in glasses and can be used to test the limits of amorphous packing in two ways. PVD can prepare glasses that approach the limits of the most dense and lowest energy amorphous packings that are possible. The activation barriers for rearrangements in these materials are very high, giving rise to high thermal and chemical stability. In addition, PVD allows control over anisotropic packing in glasses. For rod-shaped molecules, for example, glasses can be prepared in which the molecules have a substantial tendency to stand-up or lie-down relative to the substrate. As these materials have applications in organic electronics, an important question is: How much anisotropic order can be added to a glass without destroying key technological advantages such as macroscopic homogeneity? The high density and anisotropic packing of PVD glasses can be explained by a mechanism that is "anti-epitaxial" as structure is templated by the top surface rather than by the underlying substrate.
Slide 1: Title Slide
Extrachromosomal Inheritance
Slide 2: Introduction to Extrachromosomal Inheritance
Definition: Extrachromosomal inheritance refers to the transmission of genetic material that is not found within the nucleus.
Key Components: Involves genes located in mitochondria, chloroplasts, and plasmids.
Slide 3: Mitochondrial Inheritance
Mitochondria: Organelles responsible for energy production.
Mitochondrial DNA (mtDNA): Circular DNA molecule found in mitochondria.
Inheritance Pattern: Maternally inherited, meaning it is passed from mothers to all their offspring.
Diseases: Examples include Leber’s hereditary optic neuropathy (LHON) and mitochondrial myopathy.
Slide 4: Chloroplast Inheritance
Chloroplasts: Organelles responsible for photosynthesis in plants.
Chloroplast DNA (cpDNA): Circular DNA molecule found in chloroplasts.
Inheritance Pattern: Often maternally inherited in most plants, but can vary in some species.
Examples: Variegation in plants, where leaf color patterns are determined by chloroplast DNA.
Slide 5: Plasmid Inheritance
Plasmids: Small, circular DNA molecules found in bacteria and some eukaryotes.
Features: Can carry antibiotic resistance genes and can be transferred between cells through processes like conjugation.
Significance: Important in biotechnology for gene cloning and genetic engineering.
Slide 6: Mechanisms of Extrachromosomal Inheritance
Non-Mendelian Patterns: Do not follow Mendel’s laws of inheritance.
Cytoplasmic Segregation: During cell division, organelles like mitochondria and chloroplasts are randomly distributed to daughter cells.
Heteroplasmy: Presence of more than one type of organellar genome within a cell, leading to variation in expression.
Slide 7: Examples of Extrachromosomal Inheritance
Four O’clock Plant (Mirabilis jalapa): Shows variegated leaves due to different cpDNA in leaf cells.
Petite Mutants in Yeast: Result from mutations in mitochondrial DNA affecting respiration.
Slide 8: Importance of Extrachromosomal Inheritance
Evolution: Provides insight into the evolution of eukaryotic cells.
Medicine: Understanding mitochondrial inheritance helps in diagnosing and treating mitochondrial diseases.
Agriculture: Chloroplast inheritance can be used in plant breeding and genetic modification.
Slide 9: Recent Research and Advances
Gene Editing: Techniques like CRISPR-Cas9 are being used to edit mitochondrial and chloroplast DNA.
Therapies: Development of mitochondrial replacement therapy (MRT) for preventing mitochondrial diseases.
Slide 10: Conclusion
Summary: Extrachromosomal inheritance involves the transmission of genetic material outside the nucleus and plays a crucial role in genetics, medicine, and biotechnology.
Future Directions: Continued research and technological advancements hold promise for new treatments and applications.
Slide 11: Questions and Discussion
Invite Audience: Open the floor for any questions or further discussion on the topic.
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Since volcanic activity was first discovered on Io from Voyager images in 1979, changes
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The ability to recreate computational results with minimal effort and actionable metrics provides a solid foundation for scientific research and software development. When people can replicate an analysis at the touch of a button using open-source software, open data, and methods to assess and compare proposals, it significantly eases verification of results, engagement with a diverse range of contributors, and progress. However, we have yet to fully achieve this; there are still many sociotechnical frictions.
Inspired by David Donoho's vision, this talk aims to revisit the three crucial pillars of frictionless reproducibility (data sharing, code sharing, and competitive challenges) with the perspective of deep software variability.
Our observation is that multiple layers — hardware, operating systems, third-party libraries, software versions, input data, compile-time options, and parameters — are subject to variability that exacerbates frictions but is also essential for achieving robust, generalizable results and fostering innovation. I will first review the literature, providing evidence of how the complex variability interactions across these layers affect qualitative and quantitative software properties, thereby complicating the reproduction and replication of scientific studies in various fields.
I will then present some software engineering and AI techniques that can support the strategic exploration of variability spaces. These include the use of abstractions and models (e.g., feature models), sampling strategies (e.g., uniform, random), cost-effective measurements (e.g., incremental build of software configurations), and dimensionality reduction methods (e.g., transfer learning, feature selection, software debloating).
I will finally argue that deep variability is both the problem and solution of frictionless reproducibility, calling the software science community to develop new methods and tools to manage variability and foster reproducibility in software systems.
Exposé invité Journées Nationales du GDR GPL 2024
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In this book, we use conservation of energy techniques on a fluid element to derive the Modified Bernoulli equation of flow with viscous or friction effects. We derive the general equation of flow/ velocity and then from this we derive the Pouiselle flow equation, the transition flow equation and the turbulent flow equation. In the situations where there are no viscous effects , the equation reduces to the Bernoulli equation. From experimental results, we are able to include other terms in the Bernoulli equation. We also look at cases where pressure gradients exist. We use the Modified Bernoulli equation to derive equations of flow rate for pipes of different cross sectional areas connected together. We also extend our techniques of energy conservation to a sphere falling in a viscous medium under the effect of gravity. We demonstrate Stokes equation of terminal velocity and turbulent flow equation. We look at a way of calculating the time taken for a body to fall in a viscous medium. We also look at the general equation of terminal velocity.
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As consumer awareness of health and wellness rises, the nutraceutical market—which includes goods like functional meals, drinks, and dietary supplements that provide health advantages beyond basic nutrition—is growing significantly. As healthcare expenses rise, the population ages, and people want natural and preventative health solutions more and more, this industry is increasing quickly. Further driving market expansion are product formulation innovations and the use of cutting-edge technology for customized nutrition. With its worldwide reach, the nutraceutical industry is expected to keep growing and provide significant chances for research and investment in a number of categories, including vitamins, minerals, probiotics, and herbal supplements.
Comparing Evolved Extractive Text Summary Scores of Bidirectional Encoder Rep...University of Maribor
Slides from:
11th International Conference on Electrical, Electronics and Computer Engineering (IcETRAN), Niš, 3-6 June 2024
Track: Artificial Intelligence
https://www.etran.rs/2024/en/home-english/
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The return of a sample of near-surface atmosphere from Mars would facilitate answers to several first-order science questions surrounding the formation and evolution of the planet. One of the important aspects of terrestrial planet formation in general is the role that primary atmospheres played in influencing the chemistry and structure of the planets and their antecedents. Studies of the martian atmosphere can be used to investigate the role of a primary atmosphere in its history. Atmosphere samples would also inform our understanding of the near-surface chemistry of the planet, and ultimately the prospects for life. High-precision isotopic analyses of constituent gases are needed to address these questions, requiring that the analyses are made on returned samples rather than in situ.
(May 29th, 2024) Advancements in Intravital Microscopy- Insights for Preclini...Scintica Instrumentation
Intravital microscopy (IVM) is a powerful tool utilized to study cellular behavior over time and space in vivo. Much of our understanding of cell biology has been accomplished using various in vitro and ex vivo methods; however, these studies do not necessarily reflect the natural dynamics of biological processes. Unlike traditional cell culture or fixed tissue imaging, IVM allows for the ultra-fast high-resolution imaging of cellular processes over time and space and were studied in its natural environment. Real-time visualization of biological processes in the context of an intact organism helps maintain physiological relevance and provide insights into the progression of disease, response to treatments or developmental processes.
In this webinar we give an overview of advanced applications of the IVM system in preclinical research. IVIM technology is a provider of all-in-one intravital microscopy systems and solutions optimized for in vivo imaging of live animal models at sub-micron resolution. The system’s unique features and user-friendly software enables researchers to probe fast dynamic biological processes such as immune cell tracking, cell-cell interaction as well as vascularization and tumor metastasis with exceptional detail. This webinar will also give an overview of IVM being utilized in drug development, offering a view into the intricate interaction between drugs/nanoparticles and tissues in vivo and allows for the evaluation of therapeutic intervention in a variety of tissues and organs. This interdisciplinary collaboration continues to drive the advancements of novel therapeutic strategies.
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Amorphous Materials: Structural Principles and Characterization
1. NSF Grant DMR-1720415
Amorphous Materials: Structural
Principles and Characterization
Paul M. Voyles and Paul G. Evans
Department of Materials Science and Engineering
2. Overview
• Basic structural features of amorphous
materials:
• short-range order dominated by atomic bonding
• no long-range translational order
• Common methods of structural characterization
for amorphous materials:
• variations on the theme of pair distribution functions
• Structure of various classes of amorphous
materials:
• metallic glasses
• molecular glasses
• covalent network glasses, especially silicates
• ionic amorphous solids, especially metal oxides
• Summary
2
https://go.wisc.edu/u2069r
Articles available at:
3. Common Structural Features of Amorphous Materials
• Short-range order:
• Nearest-neighbor atomic distances,
angles, coordination number, etc.
• Dominated by interatomic bonding
• Often similar to crystalline analogs
• No long-range translational symmetry
3
• No Bragg peaks in diffraction
covalent network
sphere packing
4. Goals of Structural Characterization
• Chemical state and coordination of component atoms/molecules
• Local and global structural order
• Impact of amorphous structure on stability, crystallization, and other
properties and processes
• Many tools available:
• X-ray scattering, diffraction, and spectroscopy
• Neutron diffraction
• Electron microscopy and scattering
• Raman spectroscopy
• Nuclear magnetic resonance
• Inelastic x-ray and neutron scattering
4
5. X-ray, Neutron, and Electron Scattering
• Measure scattered intensity as a function of direction
• Precise measurement, wide angular range
5
6. Structure Factor S(Q)
6
X-ray / neutron / electron scattering intensity depends directly on S(Q)
When data is very good:
7. Quantitative Relationship Between Experiment and g(r)
7
X-ray scattering intensity from arbitrary arrangement of atoms
Break into two contributions
Assume that amorphous sample is isotropic
𝐼𝐼 𝐐𝐐 = 𝑓𝑓 𝐐𝐐 2
�
𝑛𝑛
𝑒𝑒𝑖𝑖 𝐐𝐐⋅𝐫𝐫𝑛𝑛 �
𝑚𝑚
𝑒𝑒−𝑖𝑖 𝐐𝐐⋅𝐫𝐫𝑚𝑚 = 𝑓𝑓 𝐐𝐐 2
�
𝑛𝑛
�
𝑚𝑚
𝑒𝑒−𝑖𝑖 𝐐𝐐⋅ 𝐫𝐫𝑛𝑛−𝐫𝐫𝑚𝑚
8. Structure of Non-crystalline Materials
• Radial distribution function g(r): monatomic sample
• Caution: people go back and forth between “radial distribution
function” and pair distribution function. Also k and Q are often
switched!
8
= average atomic
number density
Als Nielsen and McMorrow Elements
of Modern X-ray Physics 2011
9. Radial Distribution Function
• Many possible statistical descriptions of scattering from non-periodic
materials.
• Simplest: Radial distribution function
• Determine from scattering pattern S(Q):
Non-periodic atomic
arrangement
Liquid Ni scattering pattern and r.d.f.Als Nielsen and McMorrow Elements
of Modern X-ray Physics 2011
9
10. Multi-ion Systems: Partial Structure Factor and
Partial Pair-Distribution Functions
10
Measuring Sαβ(Q) accurately is very hard! Not enough information
in I(Q).
Two ions α and β
11. Anomalous X-ray Scattering
11
• Example: GeSe and GeSe2
amorphous thin films
”Anomalous” scattering: use the idea that f(Q) depends on the x-ray photon energy.
13. Amorphous Metals / Metallic Glasses
• Binary (at least) alloys which can be made
glassy by casting
• Cooling rates from 106 to ~1 K/s
• Applications driven by:
• high Young’s modulus at low weight
• good corrosion resistance
• biocompatibility
• high processability
• Cannot currently predict glass forming ability
of new alloys or design metallic glasses with
desired properties.
images from
Jan Schroers, Yale
Structure of Materials: an Introduction to Crystallography, Diffraction,
and Symmetry, Marc de Graef and Michael E. McHenry, Chapter 2113
14. Dense Random Packing
• Model for metallic liquids and
glasses as frozen liquids
• Treat metal atoms as hard
spheres:
• attractive potential up to some
bond distance r
• repulsive for shorter distance
• spherical symmetric
• Maximize the packing fraction
without introducing
crystallographic order
14
J. D. Bernal, Proc. R. Soc. Lond. A. Math. Phys.
Sci. 280, 299 (1964).
liquid Ar PDF
Bernal random model
Schott random model
ball bearings
in epoxy
15. Voronoi Polyhedron and Icosahedral Order
• Space closest to one atom
• Characteristic of nearest-neighbor
structures
• Icosahedron has only five-fold
rotational symmetries
• Non-crystallographically allowed
symmetry stabilizes metallic
liquids and glasses
15
2D
J. Tsai, N. Voss, M.
Gerstein, Bioinformatics.
17, 949–956 (2001).
3D
bcc fcc
<0 6 0 8> <0 12 0 0>
hcp
<0 6 0 2>
icosahedral atoms Voronoi polyhedron:
NPG Asia Mater. (2010),
doi:10.1038/asiamat.2010.51.
F. C. Frank, Proc. R. Soc. Lond. A.
Math. Phys. Sci. 215, 43 (1952)
indices <n3 n4 n5 n6>
are # of sides on the
polyhedron with n faces:
<0 0 12 0>
16. Varying Atomic Size and Efficient Packing
16
Y. Q. Cheng and E. Ma, Prog. Mater. Sci. 56, 379 (2011)
F. C. Frank and J. S. Kasper, Acta Crystallogr. 12, 483 (1959)
Frank-Kasper close-packed polyhedra atomic size ratio and preferred CNs
D. B. Miracle, W. S. Sanders, O. N.Senkov, Philos. Mag.
83, 2409 (2003)
T. Egami, Mater. Sci. Eng. A 226–228, 261–267 (1997)
17. Chemical Short-Range Order
• Neutron diffraction with isotope
substitution from Al87Ni7Nd6 glass
• Significant Ni-Ni ordering at 5 Å length
scale: Ni-Al-Ni
• Anomalous x-ray scattering at Ni K-
edge on La55Al25Ni20
• Strong ordering of La around Ni
17
K. Ahn, D. Louca, S. J. Poon, G. J. Shiflet,
Phys. Rev. B 70, 224103 (2004).
E. Matsubara, T. Tamura, Y. Waseda, T. Zhang, A. Inoue,
T. Masumoto, T. J. Non. Cryst. Solids 150, 380 (1992)
total RDF
Ni-centered
RDF
La-Ni
pairs
18. CSRO and Efficient Packing
• Solute-centered clusters:
• solvent shells determine by
packing efficiency
• 3rd atoms in interstitial spaces
• Few dominant “quasi-equivalent”
SRO cluster types for each glass
• Icosahedral and quasi-icosahedral
• Edge, face, and corner sharing
18 D. B. Miracle, Nat. Mater. 3, 697 (2004)
H. W. Sheng, W. K. Luo, F. M. Alamgir, J. M.
Bai, E. Ma, Nature 439, 419–25 (2006)
19. Non-icosahedral Glasses
• Mixtures of metal and “metalloid” atoms like B, C, Si, and P have
non-icosahedral short-range order
• Some directional bonding from the metalloid atoms
19
P. H. Gaskell, J. Non. Cryst. Solids 32, 207 (1979)
J. J. Maldonis and P. M. Voyles Arxiv: 1901.07014
Trigonal prism with connections for
generic metal-metalloid glass
Bi-capped square
antiprism in Pd-Si
Z9 Frank-Kasper
polyhedral in Ni-B
H. W. Sheng, W. K. Luo, F. M. Alamgir, J. M.
Bai, E. Ma, Nature 439, 419–25 (2006)
20. Nanodiffraction with Electrons
• Electron nanobeam diffraction:
one pattern at a time
• Fluctuation electron microscopy:
statistics of lots of patterns
20
DP_1 DP_2 DP_3 DP_4
A. Hirata, P. Guan, T. Fujita, Y. Hirotsu, A. Inoue, A. R.
Yavari, T. Sakurai, M. W. Chen, M. W. Nat. Mater. 10, 28
(2011)
A. Hirata, L. J. Kang, T. Fujita, B. Klumov, K. Matsue, M.
Kotani, A. R. Yavari, M. W. Chen, Science 341, 376 (2013)
M. M. J. Treacy, J. M. Gibson, L. Fan, D. J. Paterson,
I. McNulty, Reports Prog. Phys. 68, 2899 (2005)
21. Competing Icosahedral and Crystal-like Clusters
• Cluster with 6-fold rotational
symmetry, called “crystal-like”
• Chains of icosahedra, similar to
quasicrystals
21
<0 1 10 3>
<0 1 10 3>
<0 3 6 3>
<0 3 6 2>
<0 2 8 2>
<0 2 8 2>
<0 2 8 2>
<0 1 10 2>
<0 2 8 2>
<0 3 6 3>
<0 2 8 1>
<0 0 12 0>
<0 2 8 2>
J. Hwang, Z. Melgarejo, Y. E. Kalay, I.
Kalay, M .J. Kramer, D. S. Stone, P. M.
Voyles, Phys. Rev. Lett. 108, 195505 (2012)
22. Structure and Glass-Forming Ability
• Icosahedra in the liquid are
important in the glass transition
• Crystal-like clusters are important
to crystallization
22
Icosahedra
J. Ding, Y.-Q. Cheng, E. Ma, Acta Mater. 69, 343 (2014)
Y.-Q. Cheng, H. W. Sheng, E. Ma, PRB 78, 14207 (2008)
W. G. Stratton, Appl. Phys. Lett. 86, 141910 (2005)
P. Zhang Acta Mat 109, 103 (2016)
Good glass-former grows more icosahedral with
annealing. A poor glass former grows more crystal-like.
23. Structure and Plasticity
• Plastic deformation in metallic
glasses is inhomogeneous
• Localization into shear bands
makes most MGs globally brittle
• Simulations show that:
• deformation preferentially starts in
regions with low local five-fold
symmetry
• preferentially propagates between
regions of five-fold symmetry
• only penetrates those regions at
high strain
23 H. L. Peng Phys. Rev. Lett. 106, 135503 (2011)
red: regions of high non-affine strain
black: regions of high five-fold symmetry
Review: Schuh, C. A., Hufnagel, T. C. &
Ramamurty, U. Acta Mater. 55, 4067–4109 (2007).
24. Molecular Glasses
• Van der Walls bonds between
molecules
• Dense random packing of
non-spherical objects
• Hydrogen bonds between
molecules
• More directional bonding
network
24 Ediger, M. D., De Pablo, J. & Yu, L. Acc. Chem. Res. 52, 407 (2019)
rod-shaped: disc-shaped:
molecular model of amorphous ice
25. Globally Anisotropic Without Long-range Order
• Molecular glasses can have a preferred molecular orientation
without long-range order
25 Ediger, M. D., De Pablo, J. & Yu, L. Acc. Chem. Res. 52, 407 (2019)
26. Covalent Network Glasses
• Examples:
• Silica glasses
• Chalcogenides
• Amorphous silicon and germanium
• Structural hierarchy:
• directional bonds, bond angles, rings, clusters
• Statistics of geometry different from crystalline materials
• continuous random network
• network formers and network modifiers
• rings and topological clusters
• Modification via ionic substitution and doping
• coordination defects: over- and under-coordinated atoms
• constraint and rigidity theory: vibrational states / rigidity
transition, glass transition temp / viscosity
26
Amorphous Si
J. S. Lannin, Phys. Today 41, 7,
28 (1988)
27. Intuitive Relationship of Structure to Mechanical
Properties
27
Freely linked nearest-neighbor network Tree network
Mechanical properties predicted using geometry of network: viscosity, shear modulus
Extensions of this approach: dynamic reconfiguration of networks, jamming, complex statistical
mechanical considerations
28. Oxides: More Complex Building Blocks
• SiO2 Geometric Model: Corner
Sharing Tetrahedra
• Modifying and controlling this
network is the key to glass
technology
• Silica glasses: (e.g. Vogel Glass
Chemistry Springer 1994)
• Dopant rules and trends, specialized
geometric concepts, phase diagrams,
melting, optical properties
28
29. Structural Concepts in More General Oxide Glasses
29 Crystals: Repeats of octahedra, tetrahedra, etc.
Amorphous/Glass: Octahedra,
tetrahedra, but no long-range order
Short-range Glass Crystal
30. Some X-ray Scattering / Spectroscopy Examples
• Phosphate-based glasses
30
50% CaO 50% P2O5
33. Amorphous Ga-doped In2O3, Amorphous Semiconductor
• Charge carrier transport requires high crystallization T, depends
on Ga substitution
• Scattering: thin film is amorphous, crystallizes into doped In2O3
33
34. Ga-doped In2O3 EXAFS
• Ga and In coordination
34
In-O Ga-O
Close to (but not quite) In2O3 Close to (but not quite) Ga2O3
35. PDF Data
35
Red: Measured total pdf 17% Ga
Green: Measured differential pdf 17% Ga
Black: Crystal Ga2O3
Red: Measured total pdf 17% Ga
Blue: Measured total pdf 8% Ga
Black: Crystalline In2O3
36. Comparison with MD Simulation
36
Combined theory / experiment picture:
Ga drives system to configuration
further from crystalline order, inhibits
crystallization
37. 37
• VO2: Polymorph depends on amorphous structure
• VO2 amorphous structure depends on pulsed-laser deposition conditions
used to create thin film, guides selection of R- or B- phase of VO2.
Impact of Structure on Crystallization
38. Amorphous SrTiO3 Scattering
Crystallization: disappearance of amorphous scattering, rearrangement of amorphous SrTiO3
Y. Chen, et al., ACS Applied Materials and Interfaces 9, 41034 (2017)
39. Amorphous Complex Oxides
• No simple rule for the real-space interpretation of amorphous x-
ray scattering patterns from complex oxides
• Often combined with calculation to test structural models
• Combination of scattering with spectroscopic methods to
provide elemental sensitivity
39
40. Summary
• Amorphous solids lack long-range translational order, but often have
strong short-range order
• Short-range order is controlled by interatomic bonding:
• packing efficiency for spherical bonds (metals and molecules)
• directional bond networks for covalent and hydrogen bonds (silicates and
water)
• preferred polyhedral for ionic bonds (metal oxides)
• Short-range structure in an amorphous solid often mimics structure
of corresponding crystals
• Lots of ways to characterize amorphous structures with experiments
and simulations.
• Structure impacts crystallization, stability in the amorphous state,
mechanical, electronic, and other properties.
40