LAMMPS

Lower Acceptable Mean Maximum Pressure (LAMMP). Value of max pressure specified in... 

Lowest Acceptable Mean Maximum Pressure (LAMMp). The gas pressure which should be equalled or exceeded by the avg of the max pressures developed in a series of rounds which meet the muzzle velocity requirements... 

The GBEMP model requires some additional infrastructure beyond that found in standard molecular dynamics codes. For example, because the CG particles are elliptical, they have a net orientation that must be tracked and integrated during the simulation this is most easily done using a rigid-body integrator. For this reason, we chose LAMMPS (Large-scale Atomic/Molecular... 

LAMMPS WWW Site—http //lammps.sandiagov, http //lammps.sandia.gov... 

Plimpton, S. Fast parallel algorithms for short-range molecular dynamics. J. Comput. Phys. 117(1), 1-19 (1995). doi 10.1006/jcph.l995.1039. http //lammps.sandia.gov... 

Large-scale atomic/ molecular massively parallel simulator (LAMMPS) code 0.788 for armchair 1.176 for zigzag Effects of chirality and Van der Waals interaction on Young s modulus, elastic compressive modulus, bending, tensile, compressive stiffness, and critical axial force of DWCNTs... 

For all simulations, we used the LAMMPS simulation package [20,21], and the computational scheme was the following Initially, the system was allowed to equilibrate for a period of 1 to 2 ns in the NPT ensemble and then a total of 5x10 time steps were performed in the NVE ensemble. The number of H2O molecules in the simulations of the aqueous phase was equal to 2,000 with 1 CO2 molecule, while for the CO2 rieh phase the number of CO2 molecules was 1,000 with 1 H2O molecule. The composition of the mixtures simulated here corresponds to infinite dilution limit. 

LAMMPS. Another message-passing MD code is LAMMPS [33] used for high-performance parallelized molecular dynamics calculations. The current version (version 17) is compatible with both AMBER and CHARMM. 

By using molecular dynamics with a reactive force field [28-30] as implemented in LAMMPS [31], we were able to analyze the side effects of ion bombardment on a sihca-supported single waUed carbon nanotube. A reactive force field enables simulating the breaking and formation of covalent bonds. Apart from observing the effective removal of carbon atoms, we found the possibility of undesired effects on the carbon nanotube sidewall, on the substrate as well as at the interface between the carbon nanotube and the substrate (Fig. 7.1). We highlight the main types of atomic defect found on carbon nanotube sidewall, vacancy defects and chemisorption. 

DNA has been found to adopt a helical stmcture on carbon nanotube sidewall [49, 50], affecting the electrical property of carbon nanombe devices [12, 13]. We analyzed the electronic stmcture of each molecule as well as the hybrid of carbon nanotube and DNA. We used the CHARMM force field [51] as implemented in LAMMPS [31] to obtain the atomic stmcture and then obtained the electronic stmcture by DPT calculations in Gaussian 09 [52],... 

For dynamic problems, including such quintessential multiscale phenomena as fracture and damage propagation, the method uses explicit integration over time, as implemented in the LAMMPS package. ... 

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