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Questions related from Md. Rifat Hossain
I have geometry file of pelvis and sacrum bone. I need to create cortical bone shell over this model with 2mm thickness. Then I will manipulate the geometry by making holes into the the two bones...
30 November 2023 5,032 1 View
I have the geometry of two separate objects. One is a pelvis sacrum, another is a srew. For my task, I have to put the screw inside a predescibed hole on the pelvis. I did the meshing part in...
20 October 2023 8,800 8 View
I am planning to model shock simulation for an energetic material, TKX-50. I want to do it by shock applying shock-absorbing boundary condition. According to the literature, to conduct this...
18 February 2023 1,250 0 View
I am preparing to conduct shock simulation for an energetic material in LAMMPS with the help of a classical forcefield. How can I apply shock absorbing boundary condition so that that I can gather...
16 January 2023 4,477 1 View
I am working with an energetic material. using a classical forcefield how can I calculate isothermal compressibility by volume fluctuation formula, and coefficient of thermal expansion by the...
20 October 2022 7,285 4 View
I have learned the process to scan interatomic potential in small system consisting two atom, and fitting the Buckingham pair potential Between the two atoms? However, what should be done to scan...
06 September 2022 7,611 0 View
I am trying to develop force field parameters for an energetic materials. For vander walls force I have chosen Buckingham potential. What combining rule should I use for cross-term (heteroatom)...
29 August 2022 8,406 2 View
In Orca we can do the relaxed or unrelaxed scanning of any particular internal coordinates (bonds, angled, dihedral). But in output after the optimization we get the energy of the total system....
20 August 2022 1,403 3 View
Hello everyone. What are the free available forcefield fitting softwares/tools, which go along well with ORCA? I have done the quantum level calculations with Orca, now I need to fit the...
27 July 2022 2,249 3 View
I am using reaxx forcefield for an energetic material. I am applying the parameters from reax.ff.lg directory and want to set up thb cutoff value 0.01. How should I include that in the input...
07 June 2022 9,874 2 View
Hello everyone, My lammps input script is as following : units real variable cfac equal 1.01325e-4 variable cunits string GPa atom_style full boundary p p p pair_style lj/cut/coul/cut...
21 March 2022 3,251 2 View
