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Computational modeling the electrocaloric effect for solid-state refrigeration

机译:固态制冷的电热效应的计算模型

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摘要

The electrocaloric effect holds promise for possible application in refrigeration technologies. There is much interest in this subject and experimental studies have shown the possibility for creating materials with a modest sized electrocaloric response. However, theoretical studies lag behind the experimental effort due to the lack of computational methods to accurately study the finite temperature response. Here the freely distributed feram, an effective Hamiltonian molecular dynamics method, is demonstrated for predicting the electrocaloric response of BaTiO_3.
机译:电热效应有望在制冷技术中得到应用。在这个主题上有很多兴趣,并且实验研究已经显示出产生具有适度大小的电热响应的材料的可能性。然而,由于缺乏精确地研究有限温度响应的计算方法,理论研究落后于实验工作。在这里,自由分布的费拉姆是一种有效的汉密尔顿分子动力学方法,被证明可用于预测BaTiO_3的电热响应。

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