Advanced Materials Thermodynamics

Thermodynamic Foundations

Homework:

Homework 2024

Homework 1 2024; Neophytou; Supplementary Videos; Ice Crystal Structure; Ref 7; Ref 13; Ref 14; Ref 19; 2024 paper on AAT; Ref 10 Experimental Verification for LDA/HDA transition in water

Homework 2 2024; Dementyev; Sythesis of Membranes; Ref 25a; Ref 25b

Homework 3 2024; Zhang 2023; George HEA Review 2019; Law MT/HEA Review 2022; Banarjee 1964; Magnetic Refrigeration Wiki; Arrott Plot

Homework 4 2024; Venetsanos Mixing; Supporting Info Venetsanos; Chen 2018; Treszczanowicz 1985; Kirkwood-Bluff Solution Theory Wiki; Molecular Theory of Solutions Ben-Naim (add f); Herman's Orientation Function; Legendre Polynomials and orientation; Prud'homme; Scienomics MAPS Amorphous Builder

Homework 5 2024, Yoon Cathode, Supplementary Eutectic Cathode, Nickel Rich Layered Cathodes Review, Lithium Maganese Layered Cathodes, Lithium Ion Batteries

Homework 6 2024, Chen, Chen Supplemental Doc, Chen Supplemental Videos, Materials Project, Pareto Optimization

Homework 7 2024, Question 1ai ChatGPTWang AI spinodal, Wang Supplemental, SIPS Membranes, Hashimoto 1983 Spinodal, Circular Padding, Hashimoto Constant Mean Curvature 1992, Cij Continuum Mechanics, Born Huang Heat Capacity and Mechanics, Circular Padding Wiki, Cahn-Hilliard Equation Wikipedia

Homework 8 2024; Recycled Polymers;Breaking Fiber Method; Pickering Emulsion Janus Particles

Homework 9 2024; Winter paper 2022 Nucleation at Grain Boundaries; Supplemental; Published Paper 2022

Homework 10 2024; Dissertation on MOF Heat of Formation; HOF for Perovskite; HOF for MOF; Screening of MOF HOFs; Triazole Salts for Explosives HOF; MOF Synthesis, Structure and a few Applications 2018; Navrotsky Prebiotic Zeloites and MOFs; Perovskite Solar Cell (not a MOF no organic metallic corrdination); MOFs in Solar Cells; MOF-74 for toxic gas absorption; Drop Combustion Calorimeter; Solution Calorimeter, Differential Scanning Calorimeter

Homework 11 2024; Caplin, Cooper Electrical Resistivity, Klimczuk Supercondictivity, Crystal structure, Microscopic Dynamics, Other Superconductivity

Homework 12, 2024, Stiffness and Debye Temperature for Boron Nitride and Carbon Polymorphs, Calculation of the bulk modulus from the Debye Temperature , VASP, sinh equation 1, Birch-Murnaghan Equation of State

Homework 13, 2024, Brillouin Scattering 2022 Review, Clathrates DFT IR Raman, Chapter 2 Raman Scattering, Porezag Equation 5 relates DOS to Raman Intensity, Spectra for Propylene Glycol, Brillioun Scattering website, Chapter 1 Brillouin Scattering, Chapter 8 Brillouin Scattering, Reference 13, Cummins and Gammon Derivation of Equation 1 paper, Cage Model for Vogel Fulcher Law and Glass Transition, Fragility of Glasses, Fragility Index typical values, Mode coupling theory of glass transition

Homework 14, 2024, Regular Solution Model with defects for nanocrystals (Saber), Lagrangian Multiplier, Supplemental Program in Maple, Alloy Effects in Nanostructures (1993), Alloy thermodynamics in nanostructures (1994), Origin of equation 12 in Saber, Ref. 22 Equation 12 Citation, p. 211 Hilliard Calcuation, Langmuir-Mclean Segregation

Final 2024, Fenton, Fenton Supplemental, Scalfi, Ising Model/Metropolis/Monte Carlo

Homework 2023
Homework 1; Neophytou; Ref 7; Ref 13; Ref 14; Ref 19
Homework 2; Yi Paper; Equation 4 use; Equation 4; Clathrate hydrates of natural gases; Wiki Clathrate Hydrate, Wiki Clathrate Gun Hypothesis
Homework 3; Zhang 2023; George HEA Review 2019; Law MT/HEA Review 2022; Banarjee 1964
Homework 4; Venetsanos Mixing; Supporting Info Venetsanos; Chen 2018; Treszczanowicz 1985; Kirkwood-Bluff Solution Theory Wiki; Molecular Theory of Solutions Ben-Naim (add f); Herman's Orientation Function; Legendre Polynomials and orientation; Prud'homme
Homework 5; , Yoon Cathode, Supplementary Eutectic Cathode, Nickel Rich Layered Cathodes Review, Lithium Maganese Layered Cathodes, Lithium Ion Batteries
Homework 6, Wang AI spinodal, Wang Supplemental, SIPS Membranes, Hashimoto 1983 Spinodal, Circular Padding, Hashimoto Constant Mean Curvature 1992, Cij Continuum Mechanics, Born Huang Heat Capacity and Mechanics
Homework 7 2023, Freeman & Harding
Homework 8 2023, Dissertation on MOF Heat of Formation, HOF for Perovskite, HOF for MOF, Screening of MOF HOFs, Triazole Salts for Explosives HOF, MOF Synthesis, Structure and a few Applications 2018, Navrotsky Prebiotic Zeloites and MOFs
Homework 9 2023, Caplin, Cooper Electrical Resistivity, Klimczuk Supercondictivity, Crystal structure, Microscopic Dynamics, Other Superconductivity
Homework 10, Stiffness and Debye Temperature for Boron Nitride and Carbon Polymorphs, Calculation of the bulk modulus from the Debye Temperature
Homework 11, Brillouin Scattering 2022 Review, Clathrates DFT IR Raman, Chapter 2 Raman Scattering, Porezag Equation 5 relates DOS to Raman Intensity, Spectra for Propylene Glycol, Brillioun Scattering website, Chapter 1 Brillouin Scattering, Chapter 8 Brillouin Scattering, Reference 13, Cummins and Gammon Derivation of Equation 1 paper
Homework 12, Regular Solution Model with defects for nanocrystals (Saber), Alloy Effects in Nanostructures (1993), Alloy thermodynamics in nanostructures (1994), Origin of equation 12 in Saber, Ref. 22 Equation 12 Citation, p. 211 Hilliard Calcuation
Homework 13, Brackley webpage, Brackley Nature Paper (2021)
Homework 14, Fenton, Fenton Supplemental, Scalfi

Homework 2022
Homework 1 Due Monday August 29; Neophytou Paper; Neophytou Supplemental; Gibbs Duhem for Surfaces; Gibbs Duhem for inhomogeneous systems
Homework 2 Due Monday September 5; Yi Paper; Equation 4 use; Equation 4; Clathrate hydrates of natural gases
Homework 3 Due Monday September 11; Holtzman Paper ; Mpemba Effect Wiki ; Glauber Dynamics wiki
HW 4 Due Monday September 19; Venetsanos Mixing; Supporting Info Venetsanos; Chen 2018; Treszczanowicz 1985; Kirkwood-Bluff Solution Theory Wiki; Molecular Theory of Solutions Ben-Naim (add f); Herman's Orientation Function; Legendre Polynomials and orientation; Prud'homme
HW 5 Due Monday September 26; Additive Manufacturing of Nickel Alloys;Growth of Intermetallics; Inconel 718 Phase Structures for Ni alloys; Defects in Additive Manufacturing of Ni Based Alloys ;ThermoCalc for Mac/PC; Open CALPHAD for PC;
HW 6 Due Monday October 3; Cahn Hilliard with anisotropy for membranes
2006 Spinodal Simulation for Membranes; Spinodal Decomposition Hashimoto PVME/PS, Modeling Nucleation and Growth; Industrial Crystallization from Solution Mersman
HW 7; Sief Wulff shapes for crystals; Simple Density Functional Theory; A Chemist's Guide to Density Functional Theory
HW 8 ; Winter paper 2022 Nucleation at Grain Boundaries; Supplemental
Homework 9 Due Monday October 24; Dissertation on MOF Heat of Formation; HOF for Perovskite; HOF for MOF; Screening of MOF HOFs; Triazole Salts for Explosives HOF, MOF Synthesis, Structure and a few Applications 2018, Navrotsky Prebiotic Zeloites and MOFs
Homework 10 Due Monday October 31, Grimvall et al. (2012), Hessian Matrix and Phonons
HW 11 Due Wednesday October 9; Brillouin Scattering 2022 Review; ; Clathrates DFT IR Raman; Chapter 2 Raman Scattering; Porezag Equation 5 relates DOS to Raman Intensity
HW 12 Due Wednesday November 16; Regular Solution Model with defects for nanocrystals (Saber); Alloy Effects in Nanostructures (1993); Alloy thermodynamics in nanostructures (1994); Origin of equation 12 in Saber
Homework 13 Due Wednesday November 23; Brackley webpage; Brackley Nature Paper (2021)
Homework 14 Due Friday December 9; Choi 2020; Semenov Rubenstein 1998; Scalfi 2021

Homework 2021
Homework 1 Due Monday August 30; Yao Paper, Hysterisis peak
Homework 2 Due Monday September 6; Tg single molecule paper; Flory Fox paper; Types of Mean (wiki); Brillouin Scattering for Tg; Ising for stacked graphene
Homework 3 Due Monday September 13; Carbon Nanotube Excluded Volume; ThermoCalc for Mac/PC; Open CALPHAD for PC; Peng-Robinson Equation of State.xls (PREOS); Excluded Volume for Cylinders and Nanotubes (1984 718 citations); Ex. Vol. of CNTs 2007
Homework 4 Due Monday September 20; Tg and activity coefficents; Gordon Taylor Model; Review of Tg solution models; Chemical Engineering Book; Del from Chi Parameter for Drugs in Polymers
Homework 5 Due Monday September 27; Additive Manufacturing of Nickel Alloys;Growth of Intermetallics; Inconel 718 Phase Structures for Ni alloys; Defects in Additive Manufacturing of Ni Based Alloys
Homework 6 Due Monday October 4; Spinodal for various free energy expressions; Spinodal Decomposition Hashimoto PVME/PS, Modeling Nucleation and Growth; Industrial Crystallization from Solution Mersman
Homework 7 Due Monday October 18; Sief Wulff shapes for crystals; A Chemist's Guide to Density Functional Theory
Homework 8 Due Monday October 25; Review on BCP Templated Ceramics, Metals, and Carbons for Batteries; BET Theory, Langmuir Model; Block Copolymers Hamley
Homework 9 Due Monday November 1; Dissertation on MOF Heat of Formation; HOF for Perovskite; HOF for MOF; Screening of MOF HOFs; Triazole Salts for Explosives HOF, MOF Synthesis, Structure and a few Applications 2018, Navrotsky Prebiotic Zeloites and MOFs
Homework 10 Due Monday November 8; Stiffness and Debye Temperature for Boron Nitride and Carbon Polymorphs
Homework 11 Due Monday November 22; Regular Solution Model with defects for nanocrystals (Saber); Alloy Effects in Nanostructures (1993); Alloy thermodynamics in nanostructures (1994); Origin of equation 12 in Saber
Homework 12 Due Friday December 10; Nguyen Remy Mackay; Mao; Derivation of Langmuir Eqn

Homework 2020
Homework 1 Due Tuesday September 1 2020; Tombari and Johari (2020); Tombari (2011)
Homework 2 Due Tuesday September 8; Han Guangze and Meng Jianjia (2018); Ma, Gao, Qian and Su (2020)
Homework 3 Due Tuesday September 15 2020; Casalini and Ransom (2020), Stoddart, Feast, and Rannard (2012)
Homework 4 Due Tuesday September 22 2020; PREOS.xls,ThermoCalc for Mac/PC; Open CALPHAD for PC
Homework 5 Due Tuesday September 29 2020; Activity Coefficient Bismuth/Lead Heat Transfer Fluid; Hildebrand Solubility Parameter CNT/Polymer; Del from Chi Parameter for Drugs in Polymers
Homework 6 Due Tuesday October 6 2020; Bi-Zn Solder; SiO2-V2O5; NaCl-KCl
Homework 7 Due Tuesday October 13 2020; Simulation of Spinodal; Higgins Spinodal; Strobl Chapter 4 Polymer Physics (add "f" at end); Spinodal Decomposition Hashimoto PVME/PS; Spinodal in Polymer Network
Homework 8 Due Tuesday October 20 2020; Recycled Polymers;Breaking Fiber Method; Pickering Emulsion Janus Particles
Homework 9 Due Tuesday October 27 2020; Review on BCP Templated Ceramics, Metals, and Carbons for Batteries; BET Theory, Langmuir Model
Homework 10 Due Tuesday November 3 2020; Intermetallic substitution for hydrogen storage, Zeolite 1995, Zeolite Paper 2000
Homework 11 Due Tuesday November 10 2020; Stiffness and Debye Temperature for Boron Nitride and Carbon Polymorphs
Homework 12 Due Tuesday November 17 2020; Quasiharmonic Calculation of Heat Capacity for Ni and Ni3Al, (Wang-Debye Model)
Homework 13 Due Tuesday November 24; Regular Solution Model with defects for nanocrystals (Saber); Alloy Effects in Nanostructures (1993); Alloy thermodynamics in nanostructures (1994); Origin of equation 12 in Saber
Homework 14 Due Tuesday December 8; Dye adsorption to titania for Graetzel Cell

Books:

Collected Works of Gibbs
Gaskell
Rangone II 4,5; Rangone II 6,7
Eugene Machlin
Thermodynamics of Materials (Surfaces, Statstical, Interfaces)
Farwell to Entropy
Thermodynamics of the Glassy State
Chemical Engineering Book
Computational Metallurgy
HB Callen Thermodynamics
Thermo of Micelles last chapter
Polymer Thermodynamics
Thermodynamcs of Polymer Crystals Ch 13 in Morphology...
K.J. Laidler Chemical Kinetics 1987
Bird Stewart and Lightfoot Transport Phenomena
Modern Physics
Essentials of Computational Chemistry
Block Copolymers Hamley
Strobel Polymer Physics
Rubeinstein Colby Polymer Physics
Surfactant Science
Kittel and Kroemer
Adamson Physical Chem of Surfaces
Hiemenz Surface Chemistry 1997
Surfaces Israelachvili
Soft Interfaces de Gennes
Industrial Crystallization from Solution Mersman
MOF Synthesis, Structure and a few Applications 2018
Gopal Specific Heat at Low T
Dove Lattice Dynamics
Dove Structure and Dynamics Chapters 8 and 9 heat capacity
Kittel 2005
Hill Statistical Thermodynamics 1960
Guggenheim Mixtures
Theory of Simple Liquids with Applications to Soft Matter Hansen & McDonald 2013
Theory of Simple Liquids 2006
A Chemist's Guide to Density Functional Theory
Simple Density Functional Theory
Lupis Chemical Thermodynamics of Materials
Atkins Physical Chemistry
Landau and Binder Monte Carlo Methods
Particle Methods for Multiscale Physics
Simulation Methods for Polymers
Frenkel and Smit Materials Simulations
Friedricksen Simulation Textbook
Joshner Dielectric Relaxation
Experimental Thermodynamics Single Phase; Multiple Phases
Microcalorimetry in Biology
Clathrate hydrates of natural gases
Aerosol Science
Molecular Theory of Solutions Ben-Naim
Roe Xray and Neutron for Polymers
Cullity X-ray Diffraction
Gregg Sing Adsorption Surface Area
Keller Staudt Gas Adsorption 2005
Cotton Inorganic Chemistry
Housecroft Inorganic Chemistry
Physics of Condensed Matter Misra
Data Management Plan
Electrochemistry
Electrochemical Equilibria
Born Huang Heat Capacity and Mechanics
Mechanical Constituitive Equations

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