论文标题
液体氢中金属化过渡中的同位素量子效应
Isotope quantum effects in the metallization transition in liquid hydrogen
论文作者
论文摘要
冷凝物质中的量子效应通常仅在低温下发生。在这里，我们在数千种开kins的高压液体氢中显示出很大的量子效应。我们表明，氢中的金属化跃迁具有非常大的同位素效应，比氘中等效过渡低数百度。我们使用路径积分分子动力学模拟对此进行了检查，这些动力学模拟鉴定了涉及雾化，金属化以及粘度，比热和可压缩性的变化的液液过渡。 h $ _2 $和D $ _2 $之间的差异是一种量子机械效应，可以与h $ _2 $中较大的零点能量相关联，从而削弱了共价债券。我们的结果意味着，必须纠正有关在行星条件下了解氢的实验结果。
Quantum effects in condensed matter normally only occur at low temperatures. Here we show a large quantum effect in high-pressure liquid hydrogen at thousands of Kelvins. We show that the metallization transition in hydrogen is subject to a very large isotope effect, occurring hundreds of degrees lower than the equivalent transition in deuterium. We examined this using path integral molecular dynamics simulations which identify a liquid-liquid transition involving atomization, metallization, and changes in viscosity, specific heat and compressibility. The difference between H$_2$ and D$_2$ is a quantum mechanical effect which can be associated with the larger zero-point energy in H$_2$ weakening the covalent bond. Our results mean that experimental results on deuterium must be corrected before they are relevant to understanding hydrogen at planetary conditions.
