422 Interatomic PPTs View free & download

Interatomic Bonding PowerPoint PPT Presentation

Interatomic Bonding - When the atoms reach a critical distance (r0), the attractive and repulsive ... ex: diamond (strong bond) -- Tm 3350 C bismuth (weak bond) -- Tm ~ 270 C ...

When the atoms reach a critical distance (r0), the attractive and repulsive ... ex: diamond (strong bond) -- Tm 3350 C bismuth (weak bond) -- Tm ~ 270 C ...

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Interatomic Forces and Protein Structure PowerPoint PPT Presentation

Interatomic Forces and Protein Structure - Interactions between atoms within the protein chain ... MAD cow (bovine spongiform ecephalopathy, BSE) KURU. Creutzfeld-Jacob ...

Interactions between atoms within the protein chain ... MAD cow (bovine spongiform ecephalopathy, BSE) KURU. Creutzfeld-Jacob ...

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Chapter 2 Atomic Structure and Interatomic Bonding PowerPoint PPT Presentation

Chapter 2 Atomic Structure and Interatomic Bonding - The Periodic Table Electronegativity Electronegativity increases in moving from left to right and from bottom to top. 2.4 Atomic bonding in solids Bonding ...

The Periodic Table Electronegativity Electronegativity increases in moving from left to right and from bottom to top. 2.4 Atomic bonding in solids Bonding ...

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Modelling Interatomic Forces Progress and Challenges PowerPoint PPT Presentation

Modelling Interatomic Forces Progress and Challenges - Why make simple models at all when you have ABINIT, CASTEP, CONQUEST, NEWTEP, ... Medieval Renaissance Baroque Romantic. But not too simple! ...

Why make simple models at all when you have ABINIT, CASTEP, CONQUEST, NEWTEP, ... Medieval Renaissance Baroque Romantic. But not too simple! ...

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Atomistic modeling of minerals and melts using advanced interatomic potentials PowerPoint PPT Presentation

Atomistic modeling of minerals and melts using advanced interatomic potentials - alumina melt. Lyon, 18/10/2005. P-V curve for corundum. Lyon, 18/10/2005 ... Sound propagation in alumina melt. solid line: experimental result: vp=7350 m/s ...

alumina melt. Lyon, 18/10/2005. P-V curve for corundum. Lyon, 18/10/2005 ... Sound propagation in alumina melt. solid line: experimental result: vp=7350 m/s ...

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Interatomic potential for the BeCH system and simulation of WCH erosion and BeD molecule formation PowerPoint PPT Presentation

Interatomic potential for the BeCH system and simulation of WCH erosion and BeD molecule formation - Transport of matter in the plasma will lead to mixtures of all 3 elements ... A large fraction of Be is eroded as BeD molecules at low energies. Old exp. ...

Transport of matter in the plasma will lead to mixtures of all 3 elements ... A large fraction of Be is eroded as BeD molecules at low energies. Old exp. ...

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Patterson Map: Vectors PowerPoint PPT Presentation

Patterson Map: Vectors - Patterson Map: Vectors. Unit Cell. Interatomic Vectors. Constructing the Patterson Map ...

Patterson Map: Vectors. Unit Cell. Interatomic Vectors. Constructing the Patterson Map ...

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Elastic Behavior PowerPoint PPT Presentation

Elastic Behavior - ... )] independent elastic constants of linear elasticity are needed for an isotropic material Interatomic Spacing vs. Modulus S is the spring ... Polymers (including ...

... )] independent elastic constants of linear elasticity are needed for an isotropic material Interatomic Spacing vs. Modulus S is the spring ... Polymers (including ...

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Searching for Neighbor Atoms in Large-Scale Atomistic Simulations PowerPoint PPT Presentation

Searching for Neighbor Atoms in Large-Scale Atomistic Simulations - Searching for Neighbor Atoms in Large-Scale Atomistic Simulations Wednesday, 10/30/2002 Interatomic Force Calculation in MD Simulation MPM: No Neighbor Particle ...

Searching for Neighbor Atoms in Large-Scale Atomistic Simulations Wednesday, 10/30/2002 Interatomic Force Calculation in MD Simulation MPM: No Neighbor Particle ...

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Phonon band structures and thermodynamic properties within the harmonic approximation PowerPoint PPT Presentation

Phonon band structures and thermodynamic properties within the harmonic approximation - Enforce sum-rules asr dipdip ifcflag Abinit Anaddb chneut Diagonalize dynamical matrix to find phonon frequencies Introduction to Interatomic Force Constants ...

Enforce sum-rules asr dipdip ifcflag Abinit Anaddb chneut Diagonalize dynamical matrix to find phonon frequencies Introduction to Interatomic Force Constants ...

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Atomic Structure and Bonding PowerPoint PPT Presentation

Atomic Structure and Bonding - ... is because of the type of interatomic bonding in. graphite and diamond. ... There are interatomic bonds that are partially ionic and partially covalent. ...

... is because of the type of interatomic bonding in. graphite and diamond. ... There are interatomic bonds that are partially ionic and partially covalent. ...

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Computational Domains for Explorations in Nanoscience and Technology PowerPoint PPT Presentation

Computational Domains for Explorations in Nanoscience and Technology - Computational Domains for Explorations in Nanoscience and Technology ... results are derived from a classical interatomic potential with a few parameters ...

Computational Domains for Explorations in Nanoscience and Technology ... results are derived from a classical interatomic potential with a few parameters ...

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The European Spallation Source PowerPoint PPT Presentation

The European Spallation Source - Neutrons have wavelengths comparable to interatomic spacings (1-5 ) ... Neutrons are deeply penetrating ... The ILL has embarked on the Millenium Programme ...

Neutrons have wavelengths comparable to interatomic spacings (1-5 ) ... Neutrons are deeply penetrating ... The ILL has embarked on the Millenium Programme ...

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Bonding Forces and Energies PowerPoint PPT Presentation

Bonding Forces and Energies - Given the expression for Net Potential Energy, determine an expression for Bonding Energy, E0. ... Anion. Cation. Energy. Energy vs. interatomic separation, r ...

Given the expression for Net Potential Energy, determine an expression for Bonding Energy, E0. ... Anion. Cation. Energy. Energy vs. interatomic separation, r ...

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Resonance assignments Part II: Approaches to sequencespecific assignments PowerPoint PPT Presentation

Resonance assignments Part II: Approaches to sequencespecific assignments - beta-sheet. type I turn. type II turn. Close interatomic distances in 2ndary structures ... pair of betas. around 3 ppm: aromatic (YHWF) or Asp/Asn (DN) a ...

beta-sheet. type I turn. type II turn. Close interatomic distances in 2ndary structures ... pair of betas. around 3 ppm: aromatic (YHWF) or Asp/Asn (DN) a ...

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Temperature - Our senses provide us with a qualitative indication of temperature ... For gases, the interatomic forces within the gas are very weak ...

Our senses provide us with a qualitative indication of temperature ... For gases, the interatomic forces within the gas are very weak ...

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ELASTICITY - Anisotropy in the Elastic modulus. In a crystal the interatomic distance varies with direction ... elastic anisotropy. Elastic anisotropy is especially ...

Anisotropy in the Elastic modulus. In a crystal the interatomic distance varies with direction ... elastic anisotropy. Elastic anisotropy is especially ...

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Case Studies PowerPoint PPT Presentation

Case Studies - Computing the vibrational frequency of molecules resulting from interatomic ... VMD provides a wide variety of methods for rendering and coloring molecule. ...

Computing the vibrational frequency of molecules resulting from interatomic ... VMD provides a wide variety of methods for rendering and coloring molecule. ...

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BONDING FORCES PowerPoint PPT Presentation

BONDING FORCES - Forces acting on atoms depends on their 'interatomic separation' distance ... At equilibrium (at equillibrium spacing): EN = EA ER is at a min. or. EN = Eo ...

Forces acting on atoms depends on their 'interatomic separation' distance ... At equilibrium (at equillibrium spacing): EN = EA ER is at a min. or. EN = Eo ...

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Triphenyl Phosphite TPP: A Candidate for Conformational Polyamorphism PowerPoint PPT Presentation

Triphenyl Phosphite TPP: A Candidate for Conformational Polyamorphism - This means in TPP hydrogen bonding might be a driving force for the stable CS conformer. ... The shortest interatomic distances are in the range of 2.8 - 3.4 ...

This means in TPP hydrogen bonding might be a driving force for the stable CS conformer. ... The shortest interatomic distances are in the range of 2.8 - 3.4 ...

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Objectives - Path difference XY between diffracted beams 1 and 2: sin = XY/a. XY ... Crystals diffract radiation of a similar order of wavelength to the interatomic spacings ...

Path difference XY between diffracted beams 1 and 2: sin = XY/a. XY ... Crystals diffract radiation of a similar order of wavelength to the interatomic spacings ...

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Euratom FP6 Topical Information Meeting about research in: PowerPoint PPT Presentation

Euratom FP6 Topical Information Meeting about research in: - Universidad Carlos III Madrid. Universidad Polit cnica de Catalu a ... Brussels, 13 March 2003 ... Brussels, 13 March 2003. Simulations. Interatomic Potential ...

Universidad Carlos III Madrid. Universidad Polit cnica de Catalu a ... Brussels, 13 March 2003 ... Brussels, 13 March 2003. Simulations. Interatomic Potential ...

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Examples of discoveryclass science in BES PowerPoint PPT Presentation

Examples of discoveryclass science in BES - What are the fundamental phases of matter (no longer just ... interatomic forces, acting in concert, guide reactivity and molecular rearrangements/folding? ...

What are the fundamental phases of matter (no longer just ... interatomic forces, acting in concert, guide reactivity and molecular rearrangements/folding? ...

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Get to the point! PowerPoint PPT Presentation

Get to the point! - Get to the point! AFM - atomic force microscopy A 'new' view of structure (1986) AlGaN/GaN quantum well waveguide CD stamper polymer growth surface atoms on Si single ...

Get to the point! AFM - atomic force microscopy A 'new' view of structure (1986) AlGaN/GaN quantum well waveguide CD stamper polymer growth surface atoms on Si single ...

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Difficulty: how to deal accurately with both the core and valence electrons PowerPoint PPT Presentation

Difficulty: how to deal accurately with both the core and valence electrons - Title: Difficulty: how to deal accurately with both the core and valence electrons Author: Javier Last modified by: Javier Created Date: 5/5/2005 9:57:52 PM

Title: Difficulty: how to deal accurately with both the core and valence electrons Author: Javier Last modified by: Javier Created Date: 5/5/2005 9:57:52 PM

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Primary - Covalent Bonds Locally well-defined orbitals Elements with electrons up ... Arial Symbol Default Design Types of Chemical Bonds Covalent Bonds Hybridized ...

Covalent Bonds Locally well-defined orbitals Elements with electrons up ... Arial Symbol Default Design Types of Chemical Bonds Covalent Bonds Hybridized ...

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Solid State Chemistry Lecture 1: Introduction to Computer Modelling in Solid State Chemistry PowerPoint PPT Presentation

Solid State Chemistry Lecture 1: Introduction to Computer Modelling in Solid State Chemistry - Example topaz (Al2SiO4(OH,F)2) ... Other information that may be obtained on topaz ... Properties of imperfect' topaz. 9/7/09 ...

Example topaz (Al2SiO4(OH,F)2) ... Other information that may be obtained on topaz ... Properties of imperfect' topaz. 9/7/09 ...

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STRUCTURE OF MATTER PowerPoint PPT Presentation

STRUCTURE OF MATTER - DENTAL MATERIALS TIMING- 10:00 11 ... Some pure ceramics, such as aluminia and zirconia core ceramics, ... Structure of Matter Author: Mahmoud Last modified by: f5

DENTAL MATERIALS TIMING- 10:00 11 ... Some pure ceramics, such as aluminia and zirconia core ceramics, ... Structure of Matter Author: Mahmoud Last modified by: f5

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Resonance Assignment for Proteins PowerPoint PPT Presentation

Resonance Assignment for Proteins - Title: 1D 1H NMR spectra of proteins Author: Matt Cordes Last modified by: Matt Cordes Created Date: 2/5/2002 12:08:08 PM Document presentation format

Title: 1D 1H NMR spectra of proteins Author: Matt Cordes Last modified by: Matt Cordes Created Date: 2/5/2002 12:08:08 PM Document presentation format

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Sophisticated Statistical Mechanics of Sloppy Models James P. Sethna, Cornell University, DMR-0218475 PowerPoint PPT Presentation

Sophisticated Statistical Mechanics of Sloppy Models James P. Sethna, Cornell University, DMR-0218475 - Above, see the actual forces (green) and a variety of our fits (red) for a ... would give: the three curves are force components (red minus green in the ...

Above, see the actual forces (green) and a variety of our fits (red) for a ... would give: the three curves are force components (red minus green in the ...

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COMPUTATIONAL MODELING OF MATERIALS: THREE HIERARCHICAL LEVELS PowerPoint PPT Presentation

COMPUTATIONAL MODELING OF MATERIALS: THREE HIERARCHICAL LEVELS - COMPUTATIONAL MODELING OF MATERIALS: THREE HIERARCHICAL LEVELS ... Two body central potential between ith atom and jth atom. Embedded energy is of the form ...

COMPUTATIONAL MODELING OF MATERIALS: THREE HIERARCHICAL LEVELS ... Two body central potential between ith atom and jth atom. Embedded energy is of the form ...

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Resonance assignments Part II: Approaches to sequence-specific assignments - Title: PowerPoint Presentation Author: Matt Cordes Last modified by: Matt Cordes Created Date: 2/6/2005 7:57:34 PM Document presentation format: On-screen Show

Title: PowerPoint Presentation Author: Matt Cordes Last modified by: Matt Cordes Created Date: 2/6/2005 7:57:34 PM Document presentation format: On-screen Show

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Rotational Ligand Dynamics in Mn[N(CN)2]2.pyrazine PowerPoint PPT Presentation

Rotational Ligand Dynamics in Mn[N(CN)2]2.pyrazine - ... Greg Hura, Vicky Garcia Sakai, Chris Kitchens, Joon Ho Roh, Amit Kumar, Yifu Ding ... forms different structures at low and high temperatures ...

... Greg Hura, Vicky Garcia Sakai, Chris Kitchens, Joon Ho Roh, Amit Kumar, Yifu Ding ... forms different structures at low and high temperatures ...

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c - c mlap FEMTOCHEMISTRY Experimental observation and control of molecular dynamics

c mlap FEMTOCHEMISTRY Experimental observation and control of molecular dynamics

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Molecular Dynamics - Molecular Dynamics

Molecular Dynamics

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Apresenta - (William D. Callister, JR. Materials Science and Engineering an Introduction, John Wiley & Sons, Inc.) Singlewall Nanotube Bethune et al. Nature 367, 605 ...

(William D. Callister, JR. Materials Science and Engineering an Introduction, John Wiley & Sons, Inc.) Singlewall Nanotube Bethune et al. Nature 367, 605 ...

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Chapter%20Outline PowerPoint PPT Presentation

Chapter%20Outline - Chapter Outline 2.1 The Structure of Materials: Technological Relevance 2.2 The Structure of the Atom 2.3 The Electronic Structure of the Atom 2.4 The Periodic Table

Chapter Outline 2.1 The Structure of Materials: Technological Relevance 2.2 The Structure of the Atom 2.3 The Electronic Structure of the Atom 2.4 The Periodic Table

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2005, October Marc Hayoun PowerPoint PPT Presentation

2005, October Marc Hayoun - Superionic conductor at T Tc : superionic phase at high temperature ... Discrimination with a=f(T), Log(DLi)=f(T) Influence of the choice of the fitting data ...

Superionic conductor at T Tc : superionic phase at high temperature ... Discrimination with a=f(T), Log(DLi)=f(T) Influence of the choice of the fitting data ...

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Electron%20microscopy%20analysis%20of%20nm-sized%20particles%20and%20segregations PowerPoint PPT Presentation

Electron%20microscopy%20analysis%20of%20nm-sized%20particles%20and%20segregations - Scanning transmission electron microscopy STEM - HAADF-STEM ... Electron Microscopy Methods for the Characterization of Nanomaterials ...

Scanning transmission electron microscopy STEM - HAADF-STEM ... Electron Microscopy Methods for the Characterization of Nanomaterials ...

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Chapter 20 Thermal properties - Chapter 20 Thermal properties

Chapter 20 Thermal properties

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Dynamics - species via different rates of diffusion. Carbogenic molecular sieves are ... oxide to a carbon electrode by traversing a polymer electrolyte in response to a ...

species via different rates of diffusion. Carbogenic molecular sieves are ... oxide to a carbon electrode by traversing a polymer electrolyte in response to a ...

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Pr - IOTA 2001. a=20 10 nm. ENS 2002 a 16 nm. VU 2004 a=10 5 nm. IOTA 2004 10.3 a 13.8 nm. Gad a, Dickinson and Leininger 2004. 8.0 a 12.2 nm. Stark and Meyer 1994 ...

IOTA 2001. a=20 10 nm. ENS 2002 a 16 nm. VU 2004 a=10 5 nm. IOTA 2004 10.3 a 13.8 nm. Gad a, Dickinson and Leininger 2004. 8.0 a 12.2 nm. Stark and Meyer 1994 ...

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Materials, structures, and defying gravity PowerPoint PPT Presentation

Materials, structures, and defying gravity - Materials, structures, and defying gravity i) cylindrical rod: ii) square rod: iii) moments can be calculated one component at a time, e.g., moment of a hollow ...

Materials, structures, and defying gravity i) cylindrical rod: ii) square rod: iii) moments can be calculated one component at a time, e.g., moment of a hollow ...

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Chapter2 Atomic Structure PowerPoint PPT Presentation

Chapter2 Atomic Structure - Bond nature depends on electronic structure of atoms. ... small-Bismuth. Variable. large-Tungsten. small-Mercury. smallest. Comments. Nondirectional (ceramics) ...

Bond nature depends on electronic structure of atoms. ... small-Bismuth. Variable. large-Tungsten. small-Mercury. smallest. Comments. Nondirectional (ceramics) ...

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Time-resolved Chemical Imaging with infrared Lasers PowerPoint PPT Presentation

Time-resolved Chemical Imaging with infrared Lasers - Time-resolved Chemical Imaging with infrared Lasers. Electron diffraction and X-ray diffraction cannot be used for time-resolved imaging at the femtoseconds level ...

Time-resolved Chemical Imaging with infrared Lasers. Electron diffraction and X-ray diffraction cannot be used for time-resolved imaging at the femtoseconds level ...

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Chapter 17: Thermal Properties PowerPoint PPT Presentation

Chapter 17: Thermal Properties - A white-hot cube of a silica fiber insulation material, which, only seconds after having been removed from a hot furnace, can be held by its edges with the bare hands.

A white-hot cube of a silica fiber insulation material, which, only seconds after having been removed from a hot furnace, can be held by its edges with the bare hands.

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Transportation of biogenic magnetic nanoparticles from prey bacteria PowerPoint PPT Presentation

Transportation of biogenic magnetic nanoparticles from prey bacteria - The magnetic bacteria Magnetospirillum magnetotacticum MS-1 (prey) ... 109 J can grow on wide range of gram negative bacteria including the genera Spirillum ...

The magnetic bacteria Magnetospirillum magnetotacticum MS-1 (prey) ... 109 J can grow on wide range of gram negative bacteria including the genera Spirillum ...

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How materials work PowerPoint PPT Presentation

How materials work - How materials work Compression Tension Bending Torsion If the orbit of the single electron of hydrogen were the diameter of the Superdome, then the nucleus would be ...

How materials work Compression Tension Bending Torsion If the orbit of the single electron of hydrogen were the diameter of the Superdome, then the nucleus would be ...

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Molecular Dynamics Simulations of Plasma-Surface Interactions and Etching PowerPoint PPT Presentation

Molecular Dynamics Simulations of Plasma-Surface Interactions and Etching - ISPC XV

ISPC XV

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SOLID STATE PHYSICS PowerPoint PPT Presentation

SOLID STATE PHYSICS - Title: Introduction to SOLID STATE PHYSICS Author: EBRU - Prof. Be ire G n l Description: Condensed version by Prof Omar Chmaissem - Northern Illinois University

Title: Introduction to SOLID STATE PHYSICS Author: EBRU - Prof. Be ire G n l Description: Condensed version by Prof Omar Chmaissem - Northern Illinois University

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Equations of state (EOS) PowerPoint PPT Presentation

Equations of state (EOS) - Equations of state (EOS) * * * * See lect notes * * * * * For very large strains ( 40%) finite-strain EOSs (i.e. B-M) are no longer appropriate Vinet 86 87 derived ...

Equations of state (EOS) * * * * See lect notes * * * * * For very large strains ( 40%) finite-strain EOSs (i.e. B-M) are no longer appropriate Vinet 86 87 derived ...

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Tight Binding PowerPoint PPT Presentation

Tight Binding - Accuracy comparable to DFT, but much faster. 1000 atoms in ... Define dipole matrix elements in TB formalism. Evaluate polarizability (like in local basis DFT) ...

Accuracy comparable to DFT, but much faster. 1000 atoms in ... Define dipole matrix elements in TB formalism. Evaluate polarizability (like in local basis DFT) ...

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