Structural phase transitions in niobium hydrogen thin films - mechanical stress, phase equilibria and critical temperatures.

Structural phase transitions in niobium hydrogen thin films - mechanical stress, phase equilibria and critical temperatures.
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铌氢薄膜中的结构相变 - 机械应力、相平衡和临界温度

DOI:
10.1002/cphc.201900247
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发表时间:
1904
期刊:
Chemphyschem : a European journal of chemical physics and physical chemistry
影响因子:
--
通讯作者:
A. Pundt
A. Pundt
中科院分区:
--
文献类型:
--
作者:
S. Wagner;P. Klose;V. Burlaka;K. Nörthemann;M. Hamm;A. Pundt

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金属-氢(M-H)系统为热力学和动力学的基本方面的研究提供了巨大的机会。当系统尺寸减小到纳米级时,微观结构缺陷以及机械应力影响系统的性能。这是预期的外延铌氢(Nb-H)薄膜的模型系统。金属中的氢吸收通常导致晶格膨胀,当金属粘附到平坦的刚性基底时,晶格膨胀受到阻碍。因此,理论上预测1 H/Nb的高机械应力约为−10 GPa。 然而,金属不能产生如此高的应力,并以塑性变形响应,通常将100 nm Nb−H薄膜的测量应力限制在−2至−3 GPa。  它将被证明,相干状态的变化与膜厚度的减少,转移的发病塑性变形较大的氢浓度。在临界膜厚度以下,完全不存在塑性变形。然后系统表现出纯弹性,可以获得约-10(±2)GPa的超高应力。产生的应力控制着M-H系统的相稳定性,相干态强烈影响相变的成核和生长动力学。在厚度小于8 nm的Nb−H薄膜的情况下,在300 K下从α相固溶体到氢化物相的常见相变被完全抑制。  相关效应可用于优化应用中使用的金属氧化物。
Metal−hydrogen (M−H) systems offer grand opportunities for studies on fundamental aspects of thermodynamics and kinetics. When the system size is reduced to the nanoscale, microstructural defects as well as mechanical stress affect the systems’ properties. This is contemplated for the model system of epitaxial niobium−hydrogen (Nb−H) thin films. Hydrogen absorption in metals commonly leads to lattice expansion which is hindered when the metal adheres to a flat rigid substrate. Consequently, high mechanical stress of about −10 GPa for 1 H/Nb are predicted, in theory. However, metals cannot yield such high stresses and respond with plastic deformation, commonly limiting measured stresses to −2 to −3 GPa for 100 nm Nb−H films. It will be shown that the coherency state changes with film thickness reduction, shifting the onset of plastic deformation to larger hydrogen concentrations. Below critical film thicknesses, plastic deformation is fully absent. The system then behaves purely elastic and ultra‐high stress of about −10 (±2) GPa can be obtained. Arising stress controls the phase stability of M−H systems, and the coherency state strongly affects the nucleation and growth dynamics of the phase transition. In case of Nb−H thin films of less than 8 nm thickness the common phase transformation from the α‐phase solid solution to the hydride phase is completely suppressed at 300 K. Related effects can be utilised to optimise metal−hydrides used in applications.
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