论文标题
复杂的氢化物中的巨大的大压力效果
Colossal barocaloric effects in the complex hydride Li$_{2}$B$_{12}$H$_{12}$
论文作者
论文摘要
基于温室气体压缩循环的传统制冷技术对环境构成了严重威胁，并且不能降低到电子设备尺寸。固态冷却利用了热量材料对外部场的热响应，并代表了当前制冷方法的一种有希望的替代方案。但是，迄今已知的大多数热量材料都表现出相对较小的绝热温度变化（$ |ΔT| \ sim 1 $ k）和/或限制了由于显着的相位转变滞后而引起的不可逆性问题。在这里，我们预测存在巨大的突破性效应（等温熵的变化$ |ΔS| \ sim 100 $ jk $^{ - 1} $ kg $^{ - 1} $）在能量材料li $ _ {2} $ _ {2} $ b $ _ {12} $ _ {12} $ _ {12} $ h $ _ {12} $ h $ _ {12} $ bia mereculty sims中。具体而言，我们估计$ |δs| = 387 $ jk $^{ - 1} $ kg $^{ - 1} $和$ |ΔT| = 26 $ k的施加压力为$ p = 0.4 $ t = 475 $ k。披露的巨大的突破性效应是由订单 - 划分相变的起源，该转换表现出相当可逆性的程度，并涉及共存的li $^{+} {+} $ diffusion and（bh）$ _ diffusion and（bh）$ _ noveriational and venteriation forme forsity
Traditional refrigeration technologies based on compression cycles of greenhouse gases pose serious threats to the environment and cannot be downscaled to electronic device dimensions. Solid-state cooling exploits the thermal response of caloric materials to external fields and represents a promising alternative to current refrigeration methods. However, most of the caloric materials known to date present relatively small adiabatic temperature changes ($|ΔT| \sim 1$ K) and/or limiting irreversibility issues resulting from significant phase-transition hysteresis. Here, we predict the existence of colossal barocaloric effects (isothermal entropy changes of $|ΔS| \sim 100$ JK$^{-1}$kg$^{-1}$) in the energy material Li$_{2}$B$_{12}$H$_{12}$ by means of molecular dynamics simulations. Specifically, we estimate $|ΔS| = 387$ JK$^{-1}$kg$^{-1}$ and $|ΔT| = 26$ K for an applied pressure of $P = 0.4$ GPa at $T = 475$ K. The disclosed colossal barocaloric effects are originated by an order-disorder phase transformation that exhibits a fair degree of reversibility and involves coexisting Li$^{+}$ diffusion and (BH)$_{12}^{-2}$ reorientational motion at high temperatures.
