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尼蒂2是一种新的液态玻璃.
Robert F Tournier1, Michael I Ojovan2
1UPR 3228 Centre National de la Recherche Scientifique, Laboratoire National des Champs Magnétiques Intenses, European Magnetic Field Laboratory, Institut National des Sciences Appliquées de Toulouse, Université Grenoble Alpes, F-31400 Toulouse, France.
Materials (Basel, Switzerland)
|October 28, 2023
概括
这项研究揭示了NiTi2.2等材料在液体-液体过渡过程中形成的新热力学阶段 (配置). 这个阶段表现出一种记忆效应,影响未来的过渡和材料特性.
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科学领域:
- 材料科学 材料科学 材料科学
- 热力学是一种热力学.
- 计算化学的计算化学
背景情况:
- 液体-液体过渡往往先于外热事件,然后是化温度以上的内热过渡.
- 这些转变与玻璃形成有关,并可能涉及结晶,由非经典的核化理论预测.
研究的目的:
- 研究液体-液体过渡的热力学性质和新阶段的形成.
- 探索破裂键 (构造) 和透值在这些转变中的作用.
- 用分子动力学模拟来证明这些转变的可逆性.
主要方法:
- 利用分子动力学模拟研究NiTi2在高压 (1000GPa) 和不同温度 (300-1000K) 下.
- 通过操纵温度和压力来诱导可逆的第一阶段过渡.
- 分析了新的热力学阶段 (配置) 的形成及其特性.
主要成果:
- 确定了一个新的热力学阶段,由在Tx形成的"构造" (断裂键) 组成,其恒定度高达Tn+.
- 观察到一个持续到Tn+的液态玻璃分量 (Δε).
- 在NiTi2中证明了可逆的第一阶转变,在冷却时观察到记忆效应,显示液态玻璃存在 (Δε = 0.22335) 并预测Tn+ = 2120 K为Tm = 1257 K.
结论:
- 该研究确定了与液体-液体过渡相关的新热力学阶段 (配置) 的存在和特征.
- 这些发现强调了透和断裂的纽带在推动这些转型中的作用.
- 在NiTi2中观察到的记忆效应强调了材料在极端条件下的复杂热力学行为.


