StressMeasure

The StressMeasure step calculates and records the stress tensor for each particle in the system, providing detailed information about local stresses. The employed procedure is described in detail in [kononova2018].

Output format:

#Lx=10.0;Ly=10.0;Lz=10.0;
x y z          radius type volume σxx   σxy   σxz   σyx   σyy   σyz   σzx   σzy   σzz
1.23 4.56 7.89 0.5    1    0.5236 10.0  0.1   0.2   0.1   20.0  0.3   0.2   0.3   30.0
2.34 5.67 8.90 0.6    2    0.9048 15.0  0.2   0.3   0.2   25.0  0.4   0.3   0.4   35.0
...

---

• type: MechanicalMeasure, StressMeasure

• parameters:

  • outputFilePath: string: Path to the output file

  • radiusCutOff: real: Cutoff radius for stress calculations \([distance]\)

Example:

"stressMeasure":{
  "type":["MechanicalMeasure","StressMeasure"],
  "parameters":{
    "intervalStep": 10000,
    "outputFilePath": "stress_measure.dat",
    "radiusCutOff": 2.5
  }
}

Note

The output file will contain particle positions, radii, types, volumes, and the full stress tensor for each particle.

Tip

This measure is particularly useful for studying local stress distributions and identifying stress concentrations in the system.

[kononova2018]

Kononova, Olga, Farkhad Maksudov, Kenneth A. Marx, and Valeri Barsegov. “TensorCalculator: exploring the evolution of mechanical stress in the CCMV capsid.” Journal of Physics: Condensed Matter 30, no. 4 (2018): 044006.