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Published by: Massachusetts Institute of Technology | Language: English
Published by: Massachusetts Institute of Technology | Language: English
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This course focuses on the fundamentals of structure, energetics, and bonding that underpin materials science. It is the introductory lecture class for sophomore students in Materials Science and Engineering, taken with 3.014 and 3.016 to create a unified introduction to the subject. Topics include: an introduction to thermodynamic function
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Tag(s):
- materials science and engineering
- bonding
- energetics
- structure
- antibonding
- hydrogen
- quantum mechanics
- electron
- atom
- molecule
- molecular dynamics
- md
- symmetry properties
- solid
- gas
- liquid
- phase
- matter; molecular geometry
- complex and disordered materials
- thermodynamics
- equilibrium property
- macroscopic behavior
- molecular model
- heat capacity
- phase transforma
More OCW like this |
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Published by: Massachusetts Institute of Technology | Language: English
Published by: Massachusetts Institute of Technology | Language: English
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This course uses the theory and application of atomistic computer simulations to model, understand, and predict the properties of real materials. Specific topics include: energy models from classical potentials to first-principles approaches; density functional theory and the total-energy pseudopotential method; errors and accuracy of quant
Author(s):
Tag(s):
- materials science and engineering
- simulation
- computer simulation
- atomistic computer simulations
- density-functional theory
- dft
- hartree-fock
- total-energy pseudopotential
- thermodynamics
- thermodynamic ensembles
- quantum mechanics
- first-principles
- monte carlo sampling
- molecular dynamics
- finite temperature
- free energies
- phase transitions
- coarse-graining
- mesoscale
File: dmse_curriculum.pdf
This OER is part of OCW: Fundamentals of Materials Science
Published under: /Syllabus
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Inherited Tag(s):
- materials science and engineering
- bonding
- energetics
- structure
- antibonding
- hydrogen
- quantum mechanics
- electron
- atom
- molecule
- molecular dynamics
- md
- symmetry properties
- solid
- gas
- liquid
- phase
- matter; molecular geometry
- complex and disordered materials
- thermodynamics
- equilibrium property
- macroscopic behavior
- molecular model
- heat capacity
- phase transforma
File: syllabus_thermo.pdf
This OER is part of OCW: Fundamentals of Materials Science
Published under: /Syllabus
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OCW Authors:
Inherited Tag(s):
- materials science and engineering
- bonding
- energetics
- structure
- antibonding
- hydrogen
- quantum mechanics
- electron
- atom
- molecule
- molecular dynamics
- md
- symmetry properties
- solid
- gas
- liquid
- phase
- matter; molecular geometry
- complex and disordered materials
- thermodynamics
- equilibrium property
- macroscopic behavior
- molecular model
- heat capacity
- phase transforma
File: 3-012-fall-2005.zip
This OER is part of OCW: Fundamentals of Materials Science
Published under: /Download Course Materials
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Inherited Tag(s):
- materials science and engineering
- bonding
- energetics
- structure
- antibonding
- hydrogen
- quantum mechanics
- electron
- atom
- molecule
- molecular dynamics
- md
- symmetry properties
- solid
- gas
- liquid
- phase
- matter; molecular geometry
- complex and disordered materials
- thermodynamics
- equilibrium property
- macroscopic behavior
- molecular model
- heat capacity
- phase transforma
File: 3-320-spring-2005.zip
This OER is part of OCW: Atomistic Computer Modeling of Materials (SMA 5107)
Published under: /Download Course Materials
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Used by:
Inherited Tag(s):
- materials science and engineering
- simulation
- computer simulation
- atomistic computer simulations
- density-functional theory
- dft
- hartree-fock
- total-energy pseudopotential
- thermodynamics
- thermodynamic ensembles
- quantum mechanics
- first-principles
- monte carlo sampling
- molecular dynamics
- finite temperature
- free energies
- phase transitions
- coarse-graining
- mesoscale
File: f04ps3_sol.pdf
This OER is part of OCW: Fundamentals of Materials Science
Published under: /Assignments
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OCW Authors:
Inherited Tag(s):
- materials science and engineering
- bonding
- energetics
- structure
- antibonding
- hydrogen
- quantum mechanics
- electron
- atom
- molecule
- molecular dynamics
- md
- symmetry properties
- solid
- gas
- liquid
- phase
- matter; molecular geometry
- complex and disordered materials
- thermodynamics
- equilibrium property
- macroscopic behavior
- molecular model
- heat capacity
- phase transforma
File: f04ps4_sol.pdf
This OER is part of OCW: Fundamentals of Materials Science
Published under: /Assignments
Share in:
OCW Authors:
Inherited Tag(s):
- materials science and engineering
- bonding
- energetics
- structure
- antibonding
- hydrogen
- quantum mechanics
- electron
- atom
- molecule
- molecular dynamics
- md
- symmetry properties
- solid
- gas
- liquid
- phase
- matter; molecular geometry
- complex and disordered materials
- thermodynamics
- equilibrium property
- macroscopic behavior
- molecular model
- heat capacity
- phase transforma
File: f04ps10_sol_t.pdf
This OER is part of OCW: Fundamentals of Materials Science
Published under: /Assignments
Share in:
OCW Authors:
Inherited Tag(s):
- materials science and engineering
- bonding
- energetics
- structure
- antibonding
- hydrogen
- quantum mechanics
- electron
- atom
- molecule
- molecular dynamics
- md
- symmetry properties
- solid
- gas
- liquid
- phase
- matter; molecular geometry
- complex and disordered materials
- thermodynamics
- equilibrium property
- macroscopic behavior
- molecular model
- heat capacity
- phase transforma
File: f04ps8_sol.pdf
This OER is part of OCW: Fundamentals of Materials Science
Published under: /Assignments
Share in:
OCW Authors:
Inherited Tag(s):
- materials science and engineering
- bonding
- energetics
- structure
- antibonding
- hydrogen
- quantum mechanics
- electron
- atom
- molecule
- molecular dynamics
- md
- symmetry properties
- solid
- gas
- liquid
- phase
- matter; molecular geometry
- complex and disordered materials
- thermodynamics
- equilibrium property
- macroscopic behavior
- molecular model
- heat capacity
- phase transforma
File: f04ps2.pdf
This OER is part of OCW: Fundamentals of Materials Science
Published under: /Assignments
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OCW Authors:
Inherited Tag(s):
- materials science and engineering
- bonding
- energetics
- structure
- antibonding
- hydrogen
- quantum mechanics
- electron
- atom
- molecule
- molecular dynamics
- md
- symmetry properties
- solid
- gas
- liquid
- phase
- matter; molecular geometry
- complex and disordered materials
- thermodynamics
- equilibrium property
- macroscopic behavior
- molecular model
- heat capacity
- phase transforma
File: ps02.pdf
This OER is part of OCW: Fundamentals of Materials Science
Published under: /Assignments
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OCW Authors:
Inherited Tag(s):
- materials science and engineering
- bonding
- energetics
- structure
- antibonding
- hydrogen
- quantum mechanics
- electron
- atom
- molecule
- molecular dynamics
- md
- symmetry properties
- solid
- gas
- liquid
- phase
- matter; molecular geometry
- complex and disordered materials
- thermodynamics
- equilibrium property
- macroscopic behavior
- molecular model
- heat capacity
- phase transforma
File: ps03.pdf
This OER is part of OCW: Fundamentals of Materials Science
Published under: /Assignments
Share in:
OCW Authors:
Inherited Tag(s):
- materials science and engineering
- bonding
- energetics
- structure
- antibonding
- hydrogen
- quantum mechanics
- electron
- atom
- molecule
- molecular dynamics
- md
- symmetry properties
- solid
- gas
- liquid
- phase
- matter; molecular geometry
- complex and disordered materials
- thermodynamics
- equilibrium property
- macroscopic behavior
- molecular model
- heat capacity
- phase transforma
File: f04ps2_sol.pdf
This OER is part of OCW: Fundamentals of Materials Science
Published under: /Assignments
Share in:
OCW Authors:
Inherited Tag(s):
- materials science and engineering
- bonding
- energetics
- structure
- antibonding
- hydrogen
- quantum mechanics
- electron
- atom
- molecule
- molecular dynamics
- md
- symmetry properties
- solid
- gas
- liquid
- phase
- matter; molecular geometry
- complex and disordered materials
- thermodynamics
- equilibrium property
- macroscopic behavior
- molecular model
- heat capacity
- phase transforma
File: f04ps10.pdf
This OER is part of OCW: Fundamentals of Materials Science
Published under: /Assignments
Share in:
OCW Authors:
Inherited Tag(s):
- materials science and engineering
- bonding
- energetics
- structure
- antibonding
- hydrogen
- quantum mechanics
- electron
- atom
- molecule
- molecular dynamics
- md
- symmetry properties
- solid
- gas
- liquid
- phase
- matter; molecular geometry
- complex and disordered materials
- thermodynamics
- equilibrium property
- macroscopic behavior
- molecular model
- heat capacity
- phase transforma
File: f04ps5.pdf
This OER is part of OCW: Fundamentals of Materials Science
Published under: /Assignments
Share in:
OCW Authors:
Inherited Tag(s):
- materials science and engineering
- bonding
- energetics
- structure
- antibonding
- hydrogen
- quantum mechanics
- electron
- atom
- molecule
- molecular dynamics
- md
- symmetry properties
- solid
- gas
- liquid
- phase
- matter; molecular geometry
- complex and disordered materials
- thermodynamics
- equilibrium property
- macroscopic behavior
- molecular model
- heat capacity
- phase transforma
230 results found.
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