Add files via upload

README.md

@@ -2,19 +2,13 @@ Relativistic and Electromagnetic Molecular Dynamics Simulation for Nano-Scale Ph
 
 A molecular dynamics simulation code has been created for relativistic and electromagnetic fields in three dimensions. It is applied to nanoscale particle phenomena such as nanotube accelerators. Maxwell equations are solved, and momentum equations of relativistic particles are then advanced in time. It is noted, however, that the Gauss's equation must be corrected for t>0 time steps as finite errors accumulate in the divergence term. This is true if a discrete coordinate space is used in any method.
 
-All explicit simulation code must satisfy the Courant condition, that is, Dx(length)/Dt(time step) > c, the speed of light. Otherwise, a simulation is overflown shortly. 
-Four physical CGS units are used in this code: a_unit= 1.00d-08 cm, t_unit= 1.00d-15 sec, electron mass m_unit= 0.9110d-27 g and its charge e_unit= 4.8032d-10 esu. The mass of hydrogen, for example, is 1.6726d-24 g. One needs files in the simulation: 1) @cnt3-3p8Ca.f03: Molecular dynamics simulation code, 2) param_em3p8_Ca.h: Common parameters of this simulation, 3) Cntemp_config.STARTC: figure parameters, 4) p_config_ss.xyz_D150 and P135: 4) Pellet electrons, H, C and Au ions. The program is written in Fortran 2003 and MPI of version 3 for parallelization.
+All explicit simulation code must satisfy the Courant condition, that is, Dx(length)/Dt(time step) > c, the speed of light. Otherwise, a simulation is overflown shortly. Four physical CGS units are used in this code: a_unit= 1.00d-08 cm, t_unit= 1.00d-15 sec, electron mass m_unit= 0.9110d-27 g and its charge e_unit= 4.8032d-10 esu. The mass of hydrogen, for example, is 1.6726d-24 g. One needs files in the simulation: 1) @cnt3-3p8Ca.f03: Molecular dynamics simulation code, 2) param_em3p8_Ca.h: Common parameters of this simulation, 3) Cntemp_config.STARTC: figure parameters, 4) p_config_ss.xyz_D150 and P135: 4) Pellet electrons, H, C and Au ions. The program is written in Fortran 2003 and MPI of version 3 for parallelization.
 
-A simulation of the nanotube accelerator is set up by putting pellets of H, C and Au atoms and associated electrons at null velocity. 
-Electromagnetic monochromatic waves at the wavelength 800 nm are travelling from the negative direction toward the origin and then go out to the positive direction. The pellets at the origin are irradiated by these waves and are ejected to ion perpenducular and electron parallel directions toward an open space. The final energies for laser intensity 10^22 W/cm^2 are around 30-40 MeV in 20-40 fs, which is shown by animation movies at my homepage. 
+A simulation of the nanotube accelerator is set up by putting pellets of H, C and Au atoms and associated electrons at null velocity. Electromagnetic monochromatic waves at the wavelength 800 nm are travelling from the negative direction toward the origin and then go out to the positive direction. The pellets at the origin are irradiated by these waves and are ejected to ion perpenducular and electron parallel directions toward an open space. The final energies for laser intensity 10^22 W/cm^2 are around 30-40 MeV in 20-40 fs, which is shown by animation movies at my homepage.
 
-To analyze simulation results, some programs are provided here as the post-processing tool. They are named @3dfdisp.f03 and @3ddisp.f03, for examples. The velocity distributions in parallel and perpendicular directions, @3dfdispC.f03, are plotted in sequential times of ions and electrons. The @3ddisppC.f03 program is time sequential plots of H, C, Au and electrons in side and top views with energy histories as well at the end. 
-These graphic outputs as PDF are shown, either of cntemp.77Cfb.pdf or cntemp.77Csa.pdf, right on the PC screen.
-They are discussed in the latter half of the CPC paper in 2019 (Ref. 1 below). 
-
-The parallel simulation code is designed for now the one-dimensional case (the z-direction) where the long axis of pellets is open to eject heavy ions in that derection. 
-Finally, the machine run time depends on the physical time and cpu's architecture. For the elapsed time of parallel simulation it executed in 3.2 sec/step for 52 ranks and 4.0 10^5 particles (equal to 1 fs for elapsed 1.8 hours) by Fujitsu FX100 Supercomputer.  
+To analyze simulation results, some programs are provided here as the post-processing tool. They are named @3dfdisp.f03 and @3ddisp.f03, for examples. The velocity distributions in parallel and perpendicular directions, @3dfdispC.f03, are plotted in sequential times of ions and electrons. The @3ddisppC.f03 program is time sequential plots of H, C, Au and electrons in side and top views with energy histories as well at the end. These graphic outputs as PDF are shown, either of cntemp.77Cfb.pdf or cntemp.77Csa.pdf, right on the PC screen. They are discussed in the latter half of the CPC paper in 2019 (Ref. 1 below).
 
+The parallel simulation code is designed for now the one-dimensional case (the z-direction) where the long axis of pellets is open to eject heavy ions in that derection. Finally, the machine run time depends on the physical time and cpu's architecture. For the elapsed time of parallel simulation it executed in 3.2 sec/step for 52 ranks and 4.0 10^5 particles (equal to 1 fs for elapsed 1.8 hours) by Fujitsu FX100 Supercomputer.
 
 References: