what the value of thickness should i set for SiC when i run a MD simulation with Lammps.
For example the thickness for graphene is about 3.4 angstrom
Hello! I wrote a simple code (MD) to calculate the strain and stress under uniaxial loading. but the fracture strain and the fracture stress values were far that what literatures found. What...
31 December 2018 7,338 0 View
I was calculated the mechanical response of a graphene sheet of 800 atoms by evaluating stress-strain curve(attached file) using molecular dynamics simulation with Tersoff potential and stain rate...
09 October 2018 8,411 6 View
Uniaxial tensile stress–strain curve obtained by MD simulations for SiC sheet(attached file), I run my input with lammps I appreciate any suggestion to resolve this problem. regards
09 October 2018 8,242 1 View
Hello everyone I wrote a simple code to calculated the strain and stress under uniaxial loading. But the results are very far than I was expected. I tried to plot the stress-strain curve (attached...
08 September 2018 9,892 1 View
01 January 1970 3,358 0 View
Dear Professors and Researchers, Why We found that graphene monolayer without any external effect gives an anisotropic results. I'm talking here about DFT, MD simulations. knowing that graphene...
01 January 1970 923 7 View
Dear QE-users, In the method where full MS positive mode and PRM mode are used, we always get an incorrect auxiliary gas reading (41 instead of 25). This only happens in this method; other...
06 August 2024 4,953 0 View
Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...
06 August 2024 1,495 2 View
kindly reply me. Thanking you in advance.
05 August 2024 7,727 4 View
Hello guys! Do you have experience running a Oaxaca-Blinder decomposition on R applying person weights. How do you suggest doing it? I have a variable PERWT which gives more information on how...
04 August 2024 6,033 0 View
I have been using paraffin, but the deposited ZnO still detach from electrode. What is the best binder to modify graphite paste electrode with ZnO nanoparticles?
03 August 2024 4,624 3 View
Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...
03 August 2024 3,371 3 View
I imagine the battery drives the graphite into a carbocation, then chloride is oxidized to donate the electron to the carbocation, but what pushes the lost electrons of chloride to be shared...
03 August 2024 5,384 0 View
I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?
02 August 2024 3,143 4 View
Molecular docking software/ websites?
02 August 2024 8,704 7 View
I am in search of a modified Hummer's method, which can be used to synthesis graphene oxide within 6-8 hours. As I am a student it is not allowed for us to work after 5 in the laboratory. So I am...
01 August 2024 8,368 2 View