High-pressure, high-temperature behavior of silicon carbide: A review
The high-pressure behavior of silicon carbide (SiC), a hard, semi-conducting material
commonly known for its many polytypic structures and refractory nature, has increasingly …
commonly known for its many polytypic structures and refractory nature, has increasingly …
Analytical potential for atomistic simulations of silicon, carbon, and silicon carbide
We present an analytical bond-order potential for silicon, carbon, and silicon carbide that
has been optimized by a systematic fitting scheme. The functional form is adopted from a …
has been optimized by a systematic fitting scheme. The functional form is adopted from a …
Graphitization of amorphous carbons: A comparative study of interatomic potentials
We perform a comparative study of six common carbon interatomic potentials: Tersoff, REBO-
II, ReaxFF, EDIP, LCBOP-I and COMB3. To ensure fair comparison, all the potentials are …
II, ReaxFF, EDIP, LCBOP-I and COMB3. To ensure fair comparison, all the potentials are …
Interaction potential for silicon carbide: A molecular dynamics study of elastic constants and vibrational density of states for crystalline and amorphous silicon carbide
An effective interatomic interaction potential for SiC is proposed. The potential consists of
two-body and three-body covalent interactions. The two-body potential includes steric …
two-body and three-body covalent interactions. The two-body potential includes steric …
Tunable thermal conductivity of two-dimensional SiC nanosheets by grain boundaries: implications for the thermo-mechanical sensor
Two-dimensional SiC has been successfully prepared in an experiment (Phys. Rev. Lett
2023, 130, 076203), which provides new material candidates for power devices. In this work …
2023, 130, 076203), which provides new material candidates for power devices. In this work …
Brittle dynamic fracture of crystalline cubic silicon carbide (3C-SiC) via molecular dynamics simulation
Brittle fracture dynamics for three low-index crack surfaces, ie,(110),(111), and (100), in
crystalline cubic silicon carbide (3C-SiC) is studied using molecular dynamics simulation …
crystalline cubic silicon carbide (3C-SiC) is studied using molecular dynamics simulation …
Determining the thermal conductivity and phonon behavior of SiC materials with quantum accuracy via deep learning interatomic potential model
SiC is essential for next-generation semiconductors and nuclear plant components. Its
performance is strongly influenced by its thermal conductivity, which is highly sensitive to its …
performance is strongly influenced by its thermal conductivity, which is highly sensitive to its …
Simulations of the mechanical properties of crystalline, nanocrystalline, and amorphous SiC and Si
VI Ivashchenko, PEA Turchi, VI Shevchenko - Physical Review B—Condensed …, 2007 - APS
Molecular-dynamics simulations of crystalline (c), nanocrystalline (nc), and amorphous (a)
silicon carbides and silicon were carried out to investigate their vibrational and mechanical …
silicon carbides and silicon were carried out to investigate their vibrational and mechanical …
Silicon carbide nanowires under external loads: An atomistic simulation study
MA Makeev, D Srivastava, M Menon - Physical Review B—Condensed Matter …, 2006 - APS
The nanomechanical response properties of 3 C-SiC nanowires are investigated using
molecular dynamics simulation with Tersoff bond-order interatomic potential. Under axial …
molecular dynamics simulation with Tersoff bond-order interatomic potential. Under axial …
Material removal and wear mechanism in abrasive polishing of SiO2/SiC using molecular dynamics
VT Nguyen, TH Fang - Ceramics International, 2020 - Elsevier
The effect of the sliding and rolling motions of the abrasive particle on the silicon carbide
substrate covered by a thin film of silica atoms is investigated in this paper using molecular …
substrate covered by a thin film of silica atoms is investigated in this paper using molecular …