이 페이지는 대학원 강의를 하는 교과목들에 대한 간략한 설명을 담고 있다.
The goal of this course provides the fundamental concepts on continuum mechanics, once familiarized, a strong tool that can be used to construct a numerical model such as FDM, FEM, BEM, etc.
This course introduces basic knowledge of atomistic simulation methods such as molecular dynamics (MD), Monte Carlo (MC) method, energy minimization, and chain-of-states method. The goal of this course is to understand material behavior at atomic level, enlightened by computer simulations.
Examples w/ Colab: Description of a diatomic molecule using a spring model
Examples w/ Colab: A 1D mass-spring system
Examples w/ Colab: A mass-spring system in square lattice (작업 중)
LAMMPS scripts
LJ/cut interatomic energy extraction in.LJcut
To find the equilibrium lattice constant and the cohesive energy of L12 Ni3Al in.S01c.latt
To find the bulk modulus of L12 Ni3Al in.S02c.BulkMod
The above script will generate "dat.S02c_B" file and run the MATLAB script cal_BulkMod.m to get the bulk modulus.
>> cal_BulkMod
Bulk modulus = 181.590986 (GPa) from d(epot)-dV relation
Bulk modulus = 181.627363 (GPa) from pressure-dV/V relation
To find the elastic constants C11 and C12 of L12 Ni3Al, use in.S03c.C11_C12
To find the elastic constants C44 of L12 Ni3Al, use in.S04c.C44
The above script will generate "dat.S03c_C11_C12" and "dat.S04c_C44", respectively. Run the MATLAB script cal_elast_const.m by the following command:
>> cal_elast_const(182,'dat.S03c_C11_C12','dat.S04c_C44', 1);
From the linear relationship between stress and strain,
C11 = 236.087369 (GPa), C12 = 154.325040 (GPa), C44 = 127.080177 (GPa)
From the quadratic relationship between strain energy density and strain,
C11 = 236.046074 (GPa), C12 = 154.976963 (GPa), C44 = 127.062421 (GPa)
where the 1st argument is the bulk modulus in GPa obtained from cal_BulkMod.m. The last argument is the flag to plot strain vs strain energy density relationship (0/1).
This course introduces fundamental concepts and techniques of finite element method (FEM) for elliptic, parabolic, and hyperbolic partial differential equations. Topics covered include (1) overview of the FEM for 1-dimensional problems (2) error analysis and super-convergence (3) extension to 2- (and 3-) dimensional problems.