van de Bund Sebastiaan, Wiebe Heather, Ackland Graeme J
School of Physics & Astronomy, The University of Edinburgh, Edinburgh EH9 3FD, United Kingdom.
Phys Rev Lett. 2021 Jun 4;126(22):225701. doi: 10.1103/PhysRevLett.126.225701.
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 that 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.
凝聚态物质中的量子效应通常只在低温下出现。在此我们展示了在数千开尔文的高压液态氢中存在的一种大的量子效应。我们表明氢的金属化转变存在非常大的同位素效应，其发生温度比氘中的等效转变低数百摄氏度。我们使用路径积分分子动力学模拟对此进行了研究，该模拟确定了一个涉及原子化、金属化以及粘度、比热和压缩性变化的液 - 液转变。H₂ 和 D₂ 之间的差异是一种量子力学效应，它可能与 H₂ 中较大的零点能削弱共价键有关。我们的结果意味着在将氘的实验结果用于理解行星条件下的氢之前，必须对其进行修正。
