• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>RSC Advances >Anisotropy in elasticity and thermodynamic properties of zirconium tetraboride under high pressure
【24h】

Anisotropy in elasticity and thermodynamic properties of zirconium tetraboride under high pressure

机译：在高压下锆四硼锆的弹性和热力学性能的各向异性

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

The recently predicted ZrB4 with an Amm2 orthorhombic structure has great scientific and technical significance owing to its novel B-Zr-B "sandwich" layer bonding and evaluated high hardness. To better understand the performance of Amm2-ZrB4, its elastic and thermodynamic properties under pressure and temperature are studied here by taking advantage of first principles calculations in combination with the quasi-harmonic Debye model. It is found that ZrB4 keeps brittleness and mechanical stability up to 100 GPa, possessing pronounced elastic anisotropy demonstrated by the elastic anisotropy factors, the direction-dependent Young's modulus, shear modulus and Poisson's ratio. The pressure and temperature dependences of the thermodynamics parameters including normalized volume V/V-0, bulk modulus, specific heat, Debye temperature, thermal expansion coefficient and Gruneisen parameter in wide temperature (0-1000 K) and pressure (0-50 GPa) ranges are obtained and discussed in detail.
机译：由于其新的B-ZR-B“夹心”层粘接并评估了高硬度，最近预测的ZRB4具有巨大的科学和技术意义。 为了更好地了解AMM2-ZRB4的性能，通过利用与准谐波德语模型的组合结合使用第一原理计算，在这里研究了压力和温度下的弹性和热力学性能。 发现ZRB4保持脆性和机械稳定性高达100 GPa，具有弹性各向异性因素，方向依赖性杨氏模量，剪切模量和泊松比的明显弹性各向异性。 热力学参数的压力和温度依赖性，包括常规体积V / V-0，散装模量，特定的热，德比温度，热膨胀系数和Gruneisen参数在宽温度（0-1000 k）和压力（0-50GPa）中 获得并详细讨论范围。

著录项

  • 来源
    《RSC Advances》 |2015年第94期|共8页
  • 作者

    Hao Ruru; Zhang Xinyu; Qin Jiaqian; Ning Jinliang; Zhang Suhong; Niu Zhi; Ma Mingzhen; Liu Riping;

  • 作者单位

    Yanshan Univ State Key Lab Metastable Mat Sci &

    Technol Qinhuangdao 066004 Peoples R China;

    Yanshan Univ State Key Lab Metastable Mat Sci &

    Technol Qinhuangdao 066004 Peoples R China;

    Chulalongkorn Univ Met &

    Mat Sci Res Inst Bangkok 10330 Thailand;

    Yanshan Univ State Key Lab Metastable Mat Sci &

    Technol Qinhuangdao 066004 Peoples R China;

    Yanshan Univ State Key Lab Metastable Mat Sci &

    Technol Qinhuangdao 066004 Peoples R China;

    Yanshan Univ Coll Mech Engn Qinhuangdao 066004 Peoples R China;

    Yanshan Univ State Key Lab Metastable Mat Sci &

    Technol Qinhuangdao 066004 Peoples R China;

    Yanshan Univ State Key Lab Metastable Mat Sci &

    Technol Qinhuangdao 066004 Peoples R China;

  • 收录信息
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 化学;
  • 关键词

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号