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首页> 外文期刊>Physical review >Quantitative prediction of twinning stress in fcc alloys: Application to Cu-Al
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Quantitative prediction of twinning stress in fcc alloys: Application to Cu-Al

机译：fcc合金中孪晶应力的定量预测：在Cu-Al中的应用

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摘要

Twinning is one of most prevalent deformation mechanisms in materials. Having established a quantitative theory to predict onset twinning stress τ_(crit) in fcc elemental metals from their generalized planar-fault-energy (GPFE) surface, we exemplify its use in alloys where the Suzuki effect (i.e., solute energetically favors residing at and near planar faults) is operative; specifically, we apply it in Cu-xAl (x is 0, 5, and 8.3 at. %) in comparison with experimental data. We compute the GPFE via density-functional theory, and we predict the solute dependence of the GPFE and τ_(crit), in agreement with measured values. We show that τ_(crit) correlates monotonically with the unstable twin fault energies (the barriers to twin nucleation) rather than the stable intrinsic stacking-fault energies typically suggested. We correlate the twinning behavior and electronic structure with changes in solute content and proximity to the fault planes through charge-density redistribution at the fault and changes to the layer- and site-resolved density of states, where increased bonding charge correlates with decrease in fault energies and τ_(crit).
机译：孪生是材料中最普遍的变形机制之一。建立了定量理论以根据其广义平面断层能量（GPFE）表面预测fcc元素金属中的孪生孪生应力τ_（crit），我们举例说明了其在Suzuki效应（即，溶质在能量上有利于存在于）上的合金中的用途。接近平面断层）具体而言，与实验数据相比，我们将其应用于Cu-xAl（x为0、5和8.3 at。％）。我们通过密度泛函理论计算GPFE，并预测GPFE和τ_（crit）的溶质依赖性，与测量值一致。我们表明，τ_（crit）与不稳定的孪生断层能量（孪生成核的壁垒）单调相关，而不是通常建议的稳定的固有堆垛层错能量。我们将孪生行为和电子结构与溶质含量的变化和通过断层处电荷密度的重新分布以及断层状态的层密度和位点密度的变化相关，从而改变了断层附近的平面，其中键合电荷的增加与断层的减少相关能量和τ_（暴击）。

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  • 来源
    《Physical review》 |2009年第21期|214202.1-214202.7|共7页
  • 作者

    Sandeep A. Kibey; L. L. Wang; J. B. Liu; H. T. Johnson; H. Sehitoglu; D. D. Johnson;

  • 作者单位

    Department of Mechanical Science and Engineering, University of Illinois, Urbana-Champaign, 1206 W. Green Street, Urbana, Illinois 61801, USA;

    Department of Material Science and Engineering, University of Illinois, Urbana-Champaign, 1304 W. Green Street, Urbana, Illinois 61801, USA;

    Department of Material Science and Engineering, University of Illinois, Urbana-Champaign, 1304 W. Green Street, Urbana, Illinois 61801, USA;

    Department of Mechanical Science and Engineering, University of Illinois, Urbana-Champaign, 1206 W. Green Street, Urbana, Illinois 61801, USA;

    Department of Mechanical Science and Engineering, University of Illinois, Urbana-Champaign, 1206 W. Green Street, Urbana, Illinois 61801, USA;

    Department of Mechanical Science and Engineering, University of Illinois, Urbana-Champaign, 1206 W. Green Street, Urbana, Illinois 61801, USA Department of Material Science and Engineering, University of Illinois, Urbana-Champaign, 1304 W. Green Street, Urbana, Illinois 61801, USA;

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  • 原文格式 PDF
  • 正文语种 eng
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  • 关键词

    theories and models of crystal defects; grain and twin boundaries;

    机译：晶体缺陷的理论和模型;晶界和孪晶界;

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