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Re: [lammps-users] Stress & strain value
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Re: [lammps-users] Stress & strain value


From: Mohammad Rafat Sadat <msadat@...3324...>
Date: Fri, 25 Aug 2017 11:49:28 -0700

In 'real' units you can use the following piece of code for a uniaxial strain:

timestep 0.25

variable tmp equal "lx"
variable L0 equal ${tmp}
variable strain equal "(lx-v_L0)/v_L0"
variable p1 equal "v_strain"
variable p2 equal "-pxx*0.0001" #atmosphere to GPa
variable p3 equal "-pyy*0.0001"
variable p4 equal "-pzz*0.0001"
variable p5 equal "lx"
variable p6 equal "ly"
variable p7 equal "lz"

fix 1 all nvt temp 300.0 300.0 1.0
fix 2a all deform 1 x erate 4e-6 units box remap x #0.001/ps or 1e-6/fs 
fix def1 all print 1000 "${p1} ${p2} ${p3} ${p4} ${p5} ${p6} ${p7}" file ss-${name}.dat screen no
run 200000



Mohammad Rafat Sadat
Graduate Assistant (PhD candidate)
Department of Civil Engineering and Engineering Mechanics,
University of Arizona,
PO Box 210072 • 1209 E. Second Street, Room 207A, Tucson, AZ 85721

On Thu, Aug 24, 2017 at 11:53 PM, Asadollahzadeh <niliasadollahzadeh@...24...> wrote:
Hi my friends!
I applied shear strain to my sample, but I don't know how can I obtain stress & stain!
May you guide me,please?

With this code I can't have stress & strain value!

variable srate equal 1.0e10
variable srate1 equal "v_srate / 1.0e12"
fix 2 all deform 1 xy erate ${srate1} units box remap x

variable strain equal "(lx - v_L0)/v_L0"
variable steress equal "-pxy/10000"

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