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cond-mat.mtrl-sci2025
Atomistic mechanisms of phase transitions in all-temperature barocaloric material KPF
Jiantao Wang, Yi-Chi Zhang, Yan Liu +6
Conventional barocaloric materials typically exhibit limited operating temperature ranges. In contrast, KPF has recently been reported to achieve an exceptional all-temperature…
cond-mat.mtrl-sci2014★ 60 cited
Effects of dilute substitutional solutes on carbon in -Fe: interactions and associated carbon diffusion from first-principles calculations
Peitao Liu, Weiwei Xing, Xiyue Cheng +3
By means of first-principles calculations coupled with the kinetic Monte Carlo simulations, we have systematically investigated the effects of dilute substitutional solutes on the…