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First principles study of metastable beta titanium alloys.

机译:亚稳态β钛合金的第一原理研究。

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摘要

The high temperature BCC phase (beta) of titanium undergoes a martensitic transformation to HCP phase (alpha) upon cooling, but can be stabilized at room temperature by alloying with BCC transition metals such as Mo. There exists a metastable composition range within which the alloyed beta phase separates into alpha+beta upon equilibrium cooling but not when rapidly quenched. Compositional partitioning of the stabilizing element in asquenched beta microstructure creates nanoscale precipitates of a new simple hexagonal £s phase, which considerably reduces ductility. These phase transformation reactions have been extensively studied experimentally, yet several significant questions remain: (i) The mechanism by which the alloying element stabilizes the beta phase, thwarts its transformation to £s and how these processes vary as a function of the concentration of the stabilizing element is unclear. (ii) What is the atomistic mechanism responsible for the non-Arrhenius, anomalous diffusion widely observed in experiments, and how does it extend to low temperatures? How does the concentration of the stabilizing elements alter this behavior? There are many other £s forming alloys that such exhibit anomalous diffusion behavior. (iii) A lack of clarity remains on whether £s can transform to alpha -phase in the crystal bulk or if it occurs only at high-energy regions such as grain boundaries. Furthermore, what is the nature of the alpha phase embryo? (iv) Although previous computational results discovered a new o → alpha transformation mechanism in pure Ti with activation energy lower than the classical Silcock pathway, it is at odds with the alpha /beta / o orientation relationship seen in experiments.
机译:钛的高温BCC相(β)在冷却时会发生马氏体转变为HCP相(α),但可通过与BCC过渡金属(例如Mo)合金化而在室温下稳定。存在合金的亚稳态组成范围平衡冷却时,β相分离为α+β,但迅速淬灭时则不分离。在稳定的β微观结构中稳定元素的组成分配产生了新的简单六方相的纳米级沉淀,这大大降低了延展性。已经通过实验对这些相变反应进行了广泛的研究,但仍然存在几个重要的问题:(i)合金元素稳定β相,阻止其转变为βs的机理以及这些过程如何随浓度的变化而变化。稳定元素尚不清楚。 (ii)实验中广泛观察到的非阿累尼乌斯异常扩散的原子机理是什么,它如何扩展到低温?稳定元素的浓度如何改变这种行为?还有许多其他的形成合金,它们表现出异常的扩散行为。 (iii)对于£s能否在晶体块中转变成α相还是仅在诸如晶界之类的高能区域中发生尚不清楚。此外,α相胚胎的本质是什么? (iv)尽管先前的计算结果发现纯Ti中的新的o→alpha转变机理具有比经典Silcock途径低的活化能,但与实验中看到的alpha / beta / o取向关系不一致。

著录项

  • 作者

    Gupta, Niraj.;

  • 作者单位

    University of North Texas.;

  • 授予单位 University of North Texas.;
  • 学科 Materials science.
  • 学位 Ph.D.
  • 年度 2015
  • 页码 137 p.
  • 总页数 137
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

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