A generalized noise-cancellation approach computes finite-temperature elastic constants with reduced thermal noise by differencing stresses from identically thermostatted strained and reference simulations across crystalline, amorphous, and polymer systems.
Thermal conductivity, heat capacity, and elas- tic constants of water-soluble polymers and polymer blends
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Computing finite--temperature elastic constants with noise cancellation
A generalized noise-cancellation approach computes finite-temperature elastic constants with reduced thermal noise by differencing stresses from identically thermostatted strained and reference simulations across crystalline, amorphous, and polymer systems.