MingXue, Weiwei He, Qihua Gong, Min Yi, Wanlin Guo.
Abstract:
The nonlinear elasticity and strain-tunable magnetocaloric effect (MCE) of antiferromagnetic monolayer MnPS3 are demonstrated by multiscale modeling and simulations. A continuum constitutive model expanding the elastic strain energy density by a Taylor series is formulated to describe the nonlinear and large-deformation elasticity of monolayer MnPS3. Fourteen independent elastic constants of the model are determined using the ab initio results. The nonlinear behavior is found to initiate at about 7% strain and nearly isotropic before the rupture. MCE (adiabatic temperature change ΔT and isothermal entropy change
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