ParaDiS

Documentation Entries (199 results found)


Name Type Default Value Description
appliedStress double[6] (0.0, 0.0, 0.0, 0.0, 0.0, 0.0) The external applied stress in the form of (σxxyyzzyzxzxy) in units of Pa. It is assumed to be uniform throughout the simulation box. Active only when loadType = 0 (constant applied stress loading condition).
armfile int 0 If armfile = 1, ParaDiS saves armfile, in which every line contains the information of a dislocation segment. A value of 0 disables the output.
armfilecounter int 0 The number of the previous arm data file.
armfiledt double -1.0 Specifies the period at which arm data files will be written. A positive value is interpreted as a delta time and will take precedence over any frequency specified by the armfilefreq value. A value <= zero indicates dump frequency will not be determined by delta times. In this case, saving armfile could be specified by armfilefreq (see armfilefreq).
armfilefreq int 100 Set the frequency (in cycles) at which arm data files will be dumped. If armfiledt > 0.0 this parameter will have no effect. If armfile == 1 and armfiledt < 0.0, this parameter is active. If armfile == 0, this parameter is ignored.
armfiletime double 0.0 Specifies the simulation time at which the arm data was most recently dumped. If armfiledt <= 0, or armfile == 0, this value will be ignored.
BC_type NULL
binfile string (empty string) Indicates the name of a binary restart file which contains the nodal data (also see binrestart).
binrestart int 0 Toggles between binary and ascii restart file formats. A value of zero forces creation of ascii restart files (e.g. *.cn and *.data files), any other value enables creation of binary (HDF5) restart files. Note: support for binary restart files needs more work... Use at your own risk (also see binfile).
burgMag double 2.725e-10 (m) The magnitude of (the fundamental) Burgers vector b in units of meters. This value is the unit of length for all length variables in ParaDiS simulation, such as nodal positions and Burgers vectors.
c1111 double 46.0e10 (Pa) (for molybdenum) Cubic elastic constant which is used in (which?) mobility function.
c1122 double ???? Cubic elastic constant which is used in (which?) mobility function.
c2323 double ???? Cubic elastic constant which is used in (which) mobility function.
CheckScrew double 0.95 Provides a criterion for the numerical determination of screw segment. For example, in mobility law BCC_pencil, there is a glide constraint for a non-screw dislocation. Thus, we need to check whether a dislocation is screw or non-screw. If cos(θ) > CheckScrew, where θ is the angle between Burgers vector and dislocation line sense, that dislocation is regarded as a screw dislocation.
cTimeOld int 0.0 ???? Might be used in LoadCurve.c.
cycleStart int 0 Starting cycle number for the simulation.
dCyclicStrain double 0.0 ????
deltaTT double 0.0 This is not an input parameter. It records the duration of the previous timestep.
dirmax NULL ???? ????
dirname string (no default value) Name of the directory where output files will be saved. Output files include *.data files (nodal position) and *.cn files (simulation control parameters). This variable always need to be specified.
disloDensity double 1.0e11 (m<sup>-2</sup>) Current density of dislocation in the unit of m-2 over the entire simulation cell. This is not an input parameter but is automatically dumped into the restart files for informational purposes. It is updated each cycle (or not??).
DLBfreq int 3 Indicates the frequency at which Dynamic Load-Balancing is to be done. A single load-balance occurs over a 3-timestep period so that value must be a multiple of 3. A value of zero indicates no load-balancing is to be done. This parameter is only useful when the parallel computation is performed.
dstn2 double[6] ???? ????
dtDecrementFact double 0.5 This is a factor that is multiplied by deltaTT when each cycle try to reduce time step. Must be between 0.0 and 1.0. Currently only used with the trapezoid integrator (see deltaTT and timestepIntegrator).
dtExponent double ???? ????
dtIncrementFact double 1.0 This is a factor that is multiplied by deltaTT when each cycle try to increase time step. Must be >= 1.0.
dtVariableAdjustment int 0 Toggles ability to vary the increment by which the timestep is adjusted when the current timestep is determined to be too small. This will permit the timestep to be adjusted to a value between 1.0 and dtIncrementFact * deltaTT. A value of zero disables variable adjustments, all other values enable this capability.
eAmp double ???? ????
Ecore double shearmodulus / (4*PI) * log (rc/0.1) Core energy per unit length of dislocation. Produces self-force on dislocations.
edgeSlipAmt doulbe[12] ???? ????
edotdir double[3] [1.0 0.0 0.0] Uniaxial loading direction accompanying eRate (also see eRate).
elasticinteraction int 1 If elasticinteraction == 1, nodal forces are computed from elasticity. If elasticinteraction == 0, nodal forces are computed from line tension approximation.
eRate double 1.0 (s<sup>-1</sup>) The uniaxial strain rate in the unit of s-1. Active only when loadType == 1.
fem_nx int 10 ???? Used by FEM code not available in standard ParaDiS distribution.
fem_ny int 10 ???? Used by FEM code not available in standard ParaDiS distribution.
fem_nz int 10 ???? Used by FEM code not available in standard ParaDiS distribution.
fixed double 400 ????
fluxcounter int 0 Sequence number of the previous flux data file.
fluxdt double -1.0 Specifies the period at which flux data files will be written. A positive value is interpreted as a time increment and will take precedence over any frequency specified by the fluxfilefreq value. A value <= zero indicates dump frequency will not be determined by delta times. In this case, saving fluxfile could be specified by fluxfilefreq (see fluxfilefreq.).
fluxfile int 0 Toggle enabling/disabling creation of output files containing information (density, flux, etc) for each slip system. A value of 0 disables the output, any other value enables it.
fluxfreq int 100 Sets the frequency (in cycles) at which flux files will be dumped. If fluxfiledt > 0 this parameter will have no effect. If fluxfile == 1 and fluxfiledt < 0, this parameter is active. If fluxfile == 0, this parameter is ignored.
fluxtime double 0.0 Specifies the simulation time at which the flux data was most recently dumped. If fluxfiledt <= 0, or fluxfile == 0, this value will be ignored.
fmCorrectionTbl string (empty string) Name of the image correction table used by the Fast Multipole Method (FMM). This correction table must correspond to the specified fmMPOrder, fmTaylorOrder and shearModulus(??) control parameters. See the ctablegen utility for information on creating these tables. This value is ignored if fmEnabled == 0.
fmEnabled int 0 Toggle controlling use of a Fast Multipole Method (FMM) for computing force contributions from remote dislocation segments. fmEnabled is set as zero to disable the use of FMM. Any other value enables it.
fmMPOrder int 2 The expansion order of the fast multipole method. For example, if fmMPOrder == 2, dislocation distributions in an FMM cell are represented by monopole, dipole, and quadrupole contributions. If fmMPOrder == 3, octapole contribution is included (???? need to verify). This value is ignored if fmEnabled is zero.
fmTaylorOrder int 4 The expansion order of Talor series in the fast multipole method. When the elastic interactions are calculated using the fast multipole method, the elastic field generated by dislocations will be approximated by Taylor series. fmTalorOrder is the number of terms of Taylor series. This is ignored if fmEnabled == 0.
gnuplot int 0 Toggle enabling/disabling creation of plot files formatted for use with gnuplot. A value of 0 disables the output, any other value enables it. Gnuplot is the plotting program for linux (http://www.gnuplot.info).
gnuplotcounter int 0 Sequence number of the previous gnuplot file.
gnuplotdt double -1.0 Specifies the period at which gnuplot files will be written. A positive value is interpreted as a delta time and will take precedence over any frequency specified by the gnuplotfreq value. A value <= zero indicates dump frequency will not be determined by delta times. In this case, saving gnuplot could be specified by gnuplotfreq (see gnuplotfreq).
gnuplotfreq int 100 Set the frequency (in cycles) at which gnuplot files will be dumped. If gnuplotdt > 0.0 this parameter will have no effect. If gnuplot == 1 and gnuplotdt < 0.0, this parameter is active. If gnuplot == 0, this parameter is ignored.
gnuplottime double 0.0 Specifies the simulation time at which the gnuplot data was most recently dumped. If gnuplotdt <= 0, or gnuplot == 0, this value will be ignored.
indxErate int 1 ???? When loadType == 1 (uniaxial loading), indxErate specifies the loading axis, such as 1 = x-axis, 2 = y-axis, and 3 = z-axis. However, now its use is ambiguous because we already have edotdir which has the same function.
juncvelcutoff double 1.0e10 Maximum allowed velocity of dislocation junction. All velocities are in units of b/s, where b is the length unit specified by burgMag.
KE double 0.0 Reserved for use with MobilityLaw_BCC_usr1 still under development. Kinetic energy in eV.
KinTemp double 0.0 Reserved for use with MobilityLaw_BCC_usr1 still under development. Dislocation Kinetic Temperature in K.
loadType int 0 Defines the type of load on the system. Valid types are:
  • 0: Creep (constant external stress)
  • 1: Constant strain rate
  • 2: Displacement-controlled
  • 3: Load-controlled, load vs. time curve
  • 4: Total strain controlled cyclic load
materDensity double 16600 (kg/m<sup>3</sup>) Reserved for use with MobilityLaw_BCC_usr1 still under development. Material density.
maxDT double 1.0e-7 (s) The maximum allowed time step in the unit of s.
maxSeg double (no default value) The maximum allowed length of segment. Sets the maximum permitted length (in units of b specified by burgMag) of a dislocation segment. Primarily used for determining when segments are to be rediscretized during remesh operations. This value must be less than one-half the size of a cell. No default value, must be specified in the control file. If the length of segment increases over maxSeg, a new node is inserted on the segment (split). (Also see minSeg.)
maxSideX double 0.0 Specifies the upper boundary coordinate value in the X dimension for the entire simulation space. Must match value in the nodal data file.
maxSideY double 0.0 Specifies the upper boundary coordinate value in the Y dimension for the entire simulation space. Must match value in the nodal data file.
maxSideZ double 0.0 Specifies the upper boundary coordinate value in the Z dimension for the entire simulation space. Must match value in the nodal data file.
maxstep int 100 The maximum number of cycles of ParaDiS simulation. You can set maxstep = 0 if you only want to visualize the structure. In this case, you may also want to specify sleepseconds = 100 in win.script.
mesh_type int 1 ????
minSeg double sqrt(remeshAreaMin*(4/sqrt(3))) where remeshAreaMin = 2*rTol*maxSeg The minimum allowed length of a segment (in units of b specified by burgMag) of a dislocation segment. Primarily used for determining when nodes are to be removed during remesh operations. If the length of segment decreases below minSeg, (and if both two end nodes have only two neighbors) the two end nodes of the segment merge together into one node.
minSideX double 0 Specifies the lower boundary coordinate value in the X dimension for the entire simulation space. Must match corresponding value in the nodal data file.
minSideY double 0 Specifies the lower boundary coordinate value in the Y dimension for the entire simulation space. Must match corresponding value in the nodal data file.
minSideZ double 0 Specifies the lower boundary coordinate value in the Z dimension for the entire simulation space. Must match corresponding value in the nodal data file.
Mob100Lp double 10.0 ????
Mob110Lp double 10.0 ????
Mob111Lp double 10. ????
mob_compute_escaig int 0 ????
mob_cross_slip NULL ???? ????
MobClimb double 1.0e-4 (Pa/s) Edge dislocation Climb mobility (in unit of Pa/s) used in Mobility_BCC_0.
MobEdge double 10.0 (Pa/s) Edge dislocation glide mobility (in unit of Pa/s) used in Mobility_BCC_0.
mobility double 1 (Pa/s) ????
mobilityLaw string BCC_0 In ParaDiS, the motion of dislocations is expressed by the motion of nodes. Thus, the computation of nodal velocities is important part of dislocation dynamics simulation. How a dislocation moves is largely controlled by the atomistic structures and energetics of the dislocation core, which can vary significantly from one dislocation (or material) to another. Thus, the dislocation mobility is material specific. For example, both screw and non-screw dislocations in FCC metals prefer to move on (111) planes. Cross slip of screw dislocations is rare. On the other hand, screw dislocations in BCC metals can change their slip planes quite easily. mobilityLaw describes the algorithm to compute nodal velocities given nodal forces that reflects this physics. Cross slip is part of the physics to be described by mobilityLaw.
MobScrew double 10.0 (Pa/s) Mobility of screw dislocations (in units of Pa/s) used in MobilityLaw_BCC_0.
netCyclicStrain double 0.0 ????
nextDT double maxDT Specifies the trial timestep for the next cycle. The timestep integrator will adjust this value dynamically.
nextRemForceTime double 0 ???? Nearly obsolete.
normal_diff_tolerance NULL 1.0e-3 ????
numIOGroups int 1 Sets the number of groups into which the domains will be separated for doing parallel IO. All files generated in parallel will be created with this number of segments. This value must be at least one and no more than the total number of domains used.
numLoadCycle int 0 The number of loading cycle for fatigue simulation.
numXcells int 3 Defines the number of cells in the X dimension of the problem space. Interactions between dislocations not in the same cell or neighboring cells will not be accounted for individually. Instead, the dislocations are lumped into groups whose collective contribution to the long range interaction is represented by the multipole expansion. Cannot be less than 3.
numXdoms int 1 The number of computational domains (CPUs) in X-direction. The total number of domains (CPUs) is numXdoms * numYdoms * numZdoms. For serial (single CPU) simulations, use numXdoms = numYdoms = numZdoms = 1.
numYcells int 3 Defines the number of cells in the Y dimension of the problem space. Cannot be less than 3. See numXcells.
numYdoms int 1 The number of computational domains (CPUs) in Y-direction. See numXdoms.
numZcells int 3 Defines the number of cells in the Z dimension of the problem space. Cannot be less than 3. See numXcells.
numZdoms int 1 The number of computational domains (CPUs) in Z-direction. See numXdoms.
pois double 0.309 (for molybdenum) The Poisson's ratio of the material.
polefigdt double -1.0 Specifies the period at which pole figure files will be written. A positive value is interpreted as a delta time and will take precedence over any frequency specified by the polefigfreq value. A value <= 0 indicates dump frequency will not be determined by delta times. In this case, saving polefigfile could be specified by polefigfreq (see polefigfreq).
polefigfile int 0 Toggle enabling/disabling creation of <111> type burgers vector pole figures. A value of 0 disables the output, any other value enables it.
polefigfreq int 100 Set the frequency (in cycles) at which pole figure files will be dumped. If polefigdt > 0.0 this parameter will have no effect. If polefigfile == 1 and polefigdt < 0.0, this parameter is active. If polefigfile == 0, this parameter is ignored.
polefigtime double 0.0 Specifies the simulation time at which the pole figure data was most recently dumped. If polefigdt <= 0, or polefigfile == 0, this value will be ignored.
polefilecounter int 0 Sequence number of the previous pole figure file.
povray int 0 Toggle enabling/disabling creation of povray format data files with nodal data and domain boundaries. A value of 0 disables the output, any other value enables it. Povray is a 3-D ray-tracing visualization program that works for both Unix and Windows (http://www.povray.org).
povraycounter int 0 Sequence number of the previous povray file.
povraydt double -1.0 Specifies the period at which povray files will be written. A positive value is interpreted as a delta time and will take precedence over any frequency specified by the povrayfreq value. A value <= 0 indicates dump frequency will not be determined by delta times. In this case, saving povray files could be specified by povrayfreq (see povrayfreq).
povrayfreq int 100 Set the frequency (in cycles) at which povray files will be dumped. If povraydt > 0.0 this parameter will have no effect. If povray == 1 and povraydt < 0.0, this parameter is active. If povray == 0, this parameter is ignored.
povraytime double 0.0 Specifies the simulation time at which the povray data was most recently dumped. If povraydt <= 0.0, or povray == 0, this value will be ignored.
preserveOldTags int 1 A tag is a pair of integers that uniquely specifies every dislocation node in the simulation. The first integer is the domain ID and the second integer is the index number within the domain. When a new node is created, a new tag is allocated. A node changes tag if it migrates from one domain (CPU) to a neighboring domain. When ParaDiS reads nodal information from an input file, it may reassign the tags to each node (without changing their location and connectivity) if preserveOldTags == 0. Unnecessary tag changes will be prevented if preserveOldTags == 1. When the number of domains (CPUs) on which ParaDiS is going to run is different from that in the input file, new tags will be assigned to nodes regardless of the value of preserveOldTags.
psfile int 0 Toggle enabling/disabling creation of postscript format data files with nodal data and domain boundaries. A value of 0 disables the output, any other value enables it.
psfiledt double -1.0 Specifies the simulation delta time that will control the frequency at which ps files will be dumped. A positive value is interpreted as a delta time and will take precedence over any frequency specified by the psfilefreq value. A value <= 0 indicates dump frequency will not be determined by delta times. In this case, saving psfile could be specified by psfilefreq (see psfilefreq).
psfilefreq int 100 Set the frequency (in cycles) at which ps files will be dumped. If psfiledt > 0.0 this parameter will have no effect. If psfile == 1 and psfiledt < 0.0, this parameter is active. If psfile == 0, this parameter is ignored.
psfiletime double 0. Specifies the simulation time at which the ps file was most recently dumped. If psfiledt <= 0, or psfile == 0, this value will be ignored.
rc double (no default value) Core cut-off radius for dislocations in linear elasticity theory. Elastic energy obtained from linear elastic theory has a singularity near the core of dislocation. By using somea non-zero cut-off radius ( rc ), the singularity is removed. For more details see Cai et al. A nonsingular continuum theory of dislocations, J. Mech. Phys. Solids. 54 (2006) 561-587. No default value; must be specified in input file.
remeshRule string RemeshRule_2 Specifies by name the set of rules governing rediscretization of dislocations. Currently the only fully debugged and supported remesh module is RemeshRule_2 to which this parameter defaults.
Rijmfile string Inputs/Rijm.cube.out Name of the file containing the RIJM table to be used for far-field stress calculations. i.e., periodic sum of the third derivative of R. This file is only important when we do not use the fast multipole method, i.e., fmEnabled = 0 and when the boundary type is a periodic boundary condition, i.e., xBoundType = yBoundType = zBoundType = 0. The additional explanations are included in page pp. 205-207 of Computer simulations of dislocation, V. V. Bulatov and W. Cai, Oxford University Press, 2006 and Cai et al. Periodic Image Effects in Dislocation Modeling, Philosophical Magazine A, 83 (2003) 539. The file RijmPBC.cube.out only applies when the simulation cell is a cube. When the simulation cell is a rectangular box (not cubic), we need to pre-compute the periodic image correction and store the results into a file before ParaDiS simulations. Also see RijmPBCfile.
RijmPBCfile string Name of the file containing the RIJM table to be used for far-field stress calculations. i.e., periodic sum of the third derivative of R. Used together with Rijmfile (see Rijmfile).
rmax double 0.5 * minSeg The maximum nodal displacement (in units of b specified by burgMag) in a single time step. Used when euler_forward time integrator is used. Not used if trapezpoid time integrator is used.
rTol double 0.25 * rc Maximum error in nodal positions (in units of b specified by burgMag) tolerated in the time integration.Currently only used for the trapezoid integrator. If the difference between the predictor and the corrector of integrator becomes more than rtol, the integrator automatically reduces the time step. Also see dtDecrementFact, dtIncrementFact, and dtVariableAdjustment. Note: This default value is usually not good. Do not use the default value in your simulation.
savecn int 0 Toggle enabling/disabling writing of restart files at the assigned directory dirname. A value of 0 disables the capability, any other value enables it.
savecncounter int 0 Sequence number of the previous restart file.
savecndt double -1.0 Specifies the period at which restart (*.cn and *.data) files will be written. A positive value is interpreted as a delta time and will take precedence over any frequency specified by the savecnfreq value. A value <= 0 indicates dump frequency will not be determined by delta times. In this case, restart files could be specified by savecnfreq (see savecnfreq).
savecnfreq int 100 Set the frequency (in cycles) at which restart files will be dumped. If savecndt > 0.0 this parameter will have no effect. If savecn == 1 and savecndt < 0.0, this parameter is active. If savecn == 0, this parameter is ignored.
savecntime double 0.0 Specifies the simulation time at which the restart file was most recently dumped. If savecndt <= 0, or savecn == 0, this value will be ignored.
savedensityspec double[3] ???? ????
saveprop int 0 Toggle enabling/diabling writing of various properties files. A value of 0 disables the capability, any other value enables it.
savepropdetail int 100 Specifies the level of properties detail written out. Nearly obsolete. Should be set to same value as saveprop. See WriteProp.c for details on what data is generated.
savepropdt double -1.0 Specifies the period at which property files will be written. A positive value is interpreted as a delta time at which property files will be dumped. A positive value is interpreted as a delta time and will take precedence over any frequency specified by the savepropfreq value. A value <= 0 indicates dump frequency will not be determined by delta times. In this case, saving saveprop could be specified by savepropfreq (see savepropfreq).
savepropfreq int 100 Sets the frequency (in cycles) at which property files will be dumped. If savepropdt > 0.0 this parameter will have no effect. If saveprop == 1 and savepropdt < 0.0, this parameter is active. If saveprop == 0, this parameter is ignored.
saveproptime double 0.0 Specifies the simulation time at which the property file was most recently dumped. If savepropdt <= 0, or saveprop == 0, this value will be ignored.
savetimers int 0 Toggle enabling/disabling creation of timing data files. A value of 0 disables the capability, any other value enables it. (If enabled, the option SYNC_TIMERS should be enabled in makefile.setup.
savetimerscounter int 0 Sequences number of the previous savetimers file.
savetimersdt double -1.0 Specifies the period at which timers files will be written. A positive value is interpreted as a delta time and will take precedence over any frequency specified by the savetimersfreq value. A value <= 0 indicates dump frequency will not be determined by delta times. In this case, saving timer files could be specified by savetimersfreq (see savetimersfreq).
savetimersfreq int 100 The frequency of saving time information. For example, if savetimersfreq = 5, ParaDis saves the time information for every 5 time steps.Notice that the physical time for each time step is different in ParaDiS simulations. If savetimersdt > 0.0, this parameter will have no effect. If savetimers == 1 and savetimersdt < 0.0, this parameter is active. If savetimers == 0, this parameter is ignored.
savetimerstime double 0. Specifies the simulation time at which savetimers was most recently dumped. If savetimersdt <= 0.0, or savetimers == 0, this value will be ignored.
screwSlipAmt double[12] ???? ????
sessileburgspec double[30] 0 The list of Burger's vector of dislocations that are sessile (cannot move).
sessilelinespec double[30] 0 The list of dislocation line directions that are sessile (cannot move).
shearModulus double 1.3e11 (Pa) (for Molybdenum) The shear modulus of materials in units of Pa.
shearWaveVel double 1.0269543e13 (b/s) Sound velocity in the unit of b/s, where b is the length unit specified by burgMag. If the velocity of dislocation gets closer to the sound velocity, the mass of dislocation increases, so the dislocation cannot move faster than the sound speed. This is a matrial specific input.
skipIO int 0 Toggle for disabling generation of all output types other than timing files.
springConst double 100 ????
stncut double 1e-10 ????
tecplot int 0 Toggle enabling/disabling creation of output files formatted for use with tecplot. A value of 0 disables the output, any other value enables it. Tecplot is a 3-D visualization program http://www.tecplot.com.
tecplotcounter int 0 Sequence number of the previous tecplot file.
tecplotdt double -1.0 Specifies the period at which tecplot files will be written. A positive value is interpreted as a delta time and will take precedence over any frequency specified by the tecplotfreq value. A value <= 0 indicates dump frequency will not be determined by delta times. In this case, saving Tecplot files could be specified by tecplotfreq (see tecplotfreq).
tecplotfreq int 100 Set the frequency (in cycles) at which tecplot files will be dumped. If tecplotdt > 0.0, this parameter will have no effect. If tecplot == 1 and tecplotdt < 0.0, this parameter is active. If tecplot == 0, this parameter is ignored.
tecplottime double 0. Specifies the physical time at which the tecplot data was most recently dumped. If tecplotdt <= 0, or tecplot == 0, this value will be ignored.
TempK double 30 (K) Simulation temperature (in deg. K) used to compute the cross slip rate in FCC mobility laws (MobilityLaw_FCC_1 and MobilityLaw_FCC_2. It is also used in MobilityLaw_BCC_usr1 (still under development).
TensionFactor double 1 Factor used for simple line tension force calculations when the elasticinteraction parameter is zero.
timeNow double 0.0 The current simulation (physical) time (in seconds).
timeStart double 0.0 The initial simulation (physical) time in seconds (the time-scale of dislocation physics).
timestepIntegrator string trapezoid Selects a time step integration method. The recommended selection is trapezoid (default). Any other specification will invoke the explicit Euler forward integrator, which does not perform very well.
totalSlipAmt double[12] ???? ????
totalStrain double ???? The sum of elastic and plastic strain. Not used. ????
totalStress double 0 The stress. ????
totedgepStrain double[6] 0 Total plastic strain (output) produced by edge dislocations (see totpStn).
totpSpn double[6] 0 ????
totpStn double[6] 0 Total plastic strain (output) in the form of (εxxyyzzyzxzxy).
totscrewpStrain double[6] 0 Total plastic strain (output) produced by edge dislocations (see totpStn).
totstraintensor double[6] 0 The total strain tensor (output) in the form of (εxxyyzzyzxzxy).
trueStrain NULL ???? True strain
trueStrainED double 0 Contribution to true strain from edge dislocation (see trueStrain).
trueStrainSC double 0 Contribution to true strain from screw dislocation (see trueStrain).
tsbfile int 0 Toggle enabling/disabling creation of output files formatted for use with the TeraScale Browser (TSB), which is 3-D visualization program developed by LLNL. A value of 0 disables the output, any other value enables it.
tsbfilecounter int 0 Sequence number of the previous TSB file.
tsbfiledt double -1.0 Specifies the period at which TSB files will be written. A positive value is interpreted as a delta time and will take precedence over any frequency specified by the tsbfilefreq value. A value <= 0 indicates dump frequency will not be determined by delta times. In this case, saving tsbfile could be specified by tsbfilefreq (see tsbfilefreq).
tsbfilefreq int 100 Sets the frequency (in cycles) at which TSB files will be dumped. If tsbfiledt > 0.0 this parameter will have no effect. If tsbfile == 1 and tsbfiledt < 0.0, this parameter is active. If tsbfile == 0, this parameter is ignored.
tsbfiletime double 0.0 Specifies the simulation time at which the TSB data was most recently dumped. If tsbfiledt <= 0, or tsbfile == 0, this value will be ignored.
TslipDenEdge double[12] 0 ????
TslipDenScrew double[4] 0 ????
tstn2 double[6] 0 ????
vAverage double 0.0 This parameter is permitted only if the VEL_STATISTICS macro has been defined in Makefile before compilation. It is not an input parameter but one of the velocity statistics automatically dumped into the restart files for informational purposes as it will be automatically updated each cycle.
velcutoff double 1.0e10 Maximum allowed velocity of dislocation of discretization nodes (2-arm nodes). It is usually speed of sound. Also see shearWaveVel.
velfile int 0 Toggle enabling/disabling creation of output files containing velocity data for all nodes in the problem. A value of 0 disables the output, any other value enables it.
velfilecounter int 0 Sequence number of the previous velocity data file.
velfiledt double -1.0 Specifies the period at which velocity files will be written. A positive value is interpreted as a delta time and will take precedence over any frequency specified by the velfilefreq value. A value <= 0 indicates dump frequency will not be determined by delta times. In this case, saving velocity files could be specified by velfilefreq (see velfilefreq).
velfilefreq int 100 Set the frequency (in cycles) at which velocity data files will be dumped. If velfiledt > 0.0 this parameter will have no effect. If velfile == 1 and velfiledt < 0.0, this parameter is active. If velfile == 0, this parameter is ignored.
velfiletime double 0.0 Specifies the simulation time at which the velocity data was most recently dumped. If velfiledt <= 0, or velfile == 0, this value will be ignored.
vStDev double 0.0 This parameter is permitted only if the VEL_STATISTICS pre-processor macro has been defined during compilation, and is in reality not an input parameter but one of the velocity statistics automatically dumped into the restart files for informational purposes as it will be automatically updated each cycle.
writetsbspec int[3] ???? ????
xBoundMax double 0.0 If periodic boundaries are not enabled, defines the upper limit on coordinates in the X dimension of any dislocation node in the current domain (CPU). Must be <= maxSideX.
xBoundMin double 0 If periodic boundaries are not enabled, defines the lower limit on coordinates in the X dimension of any dislocation node in the current domain (CPU). Must be <= minSideX.
xBoundType int 0 Defines the type of problem space boundaries in the X dimension. Valid values are 0, 1 and 2 respectively for periodic, free surface, and reflecting.
yBoundMax double 0 If periodic boundaries are not enabled, defines the upper limit on coordinates in the Y dimension of any dislocation node. Must be <= maxSideY.
yBoundMin double 0 If periodic boundaries are not enabled, defines the lower limit on coordinates in the Y dimension of any dislocation node. Must be >= minSideY.
yBoundType int 0 Defines the type of problem space boundaries in the Y dimension. Valid values are 0, 1 and 2 respectively for periodic, free surface, and reflecting.
YoungsModulus double 200e9 (Pa) (for Molybdenum) Young's modulus (in units of Pa) of material. Not used. ????
zBoundMax double 0 If periodic boundaries are not enabled, defines the upper limit on coordinates in the Z dimension of any dislocation node. Must be <= maxSideZ.
zBoundMin double 0 If periodic boundaries are not enabled, defines the lower limit on coordinates in the Z dimension of any dislocation node. Must be >= minSideZ.
zBoundType int 0 Defines the type of problem space boundaries in the Z dimension. Valid values are 0, 1 and 2 respectively for periodic, free surface, and reflecting.
bgcolor NULL NULL The background color of the X-window that displays the dislocation during the simulation. This parameter is spacified in win.script.
color_scheme int 0 ???? This parameter is spacified in win.script.
enable_window int 1 Toggle enabling/disabling pop-up of simulation window. If enable_window = 1, the X-window appears during the simulation, displaying the dislocation lines. If enable_window = 0, X-window display is disabled. This parameter is spacified in win.script.
line_width double 0.02 The width of dislocation line in the X-window. This parameter is spacified in win.script.
maxlinewidth double 4 The maximum width of dislocation line on simulation screen. This parameter is spacified in win.script.
maxpointradius double 8 The maximum radius of a point (e.g. node) in the X-window. This parameter is spacified in win.script.
pbcshift double[3] 0 The amount of shift in PBC periodic boundary condition in x,y,z directions when displaying the dislocation lines. This parameter is spacified in win.script.
point_radius double 0.02 The radius of a point (e.g. node) in the X-window. This parameter is spacified in win.script.
reversergb int 0 The color on a computer is specified by three numbers for the intensity of red, green and blue (RGB). Different computers may have reverse order for red and blue (i.e. RGB vs BGR). Setting reversergb = 1 means that we reverse the order of red and blue, which may be necessary for some computers to display the color correctly. If you find that the displayed color is not what you specified, try toggle reversergb between 0 and 1. This parameter is spacified in win.script.
rotateangles double[3] (0,0,0) The default angle of rotation of the simulation box when displaying it in the X-window. The box can be rotated by the mouse. If Home key is pressed in the X-window, the box will return to the rotation specified by this variable. This parameter is spacified in win.script.
scalepoints int 1 Toggle whether or not the size of the node will change as we zoom in or out in the X-window. This parameter is spacified in win.script.
sleepseconds int 10 The duration time (in seconds) for the simulation process to stay alive after the simulation has finished. During this time, the main process is sleeping but the X-window stays open to allow us to examine the final dislocation structure. If sleepseconds = 0, ParaDiS will quit immediately after te simulation has finished its last cycle. This parameter is spacified in win.script.
win_height int NULL The height of the simulation window when it is first created. The window size can be adjusted by mouse. This parameter is spacified in win.script.
win_name string NULL The name of the simulation window. This parameter is spacified in win.script.
win_width int NULL The width of the simulation window when it is first created. The window size can be adjusted by mouse. This parameter is spacified in win.script.