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Prediction and understanding of barocaloric effects in orientationally disordered materials from molecular dynamics simulations
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作者 Carlos Escorihuela-Sayalero Luis Carlos Pardo +5 位作者 Michela Romanini nicolas obrecht Sophie Loehlé Pol Lloveras Josep-Lluís Tamarit Claudio Cazorla 《npj Computational Materials》 CSCD 2024年第1期3113-3122,共10页
Due to its high energy efficiency and environmental friendliness,solid-state cooling based on the barocaloric(BC)effect represents a promising alternative to traditional refrigeration technologies relying on greenhous... Due to its high energy efficiency and environmental friendliness,solid-state cooling based on the barocaloric(BC)effect represents a promising alternative to traditional refrigeration technologies relying on greenhouse gases.Plastic crystals displaying orientational order-disorder solid-solid phase transitions have emerged among the most gifted materials on which to realize the full potential of BC solid-state cooling.However,a comprehensive understanding of the atomistic mechanisms on which order-disorder BC effects are sustained is still missing,and rigorous and systematic methods for quantitatively evaluating and anticipating them have not been yet established. 展开更多
关键词 SOLID SUSTAINED rigorous
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