From quantum to continuum mechanics: studying the fracture toughness of transition metal nitrides and oxynitrides

James S. K.-L. Gibson; Shahed Rezaei; Holger Rueß; Marcus Hans; Denis Music; Stephan Wulfinghoff; Jochen M. Schneider; Stefanie Reese; Sandra Korte-Kerzel

doi:10.1080/21663831.2017.1414081

Chinese

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From quantum to continuum mechanics: studying the fracture toughness of transition metal nitrides and oxynitrides

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- From quantum to continuum mechanics: studying the fracture toughness of transition metal nitrides and oxynitrides
- From quantum to continuum mechanics: studying the fracture toughness of transition metal nitrides and oxynitrides
- 材料研究快报（英文） 2018年6卷第2期页码：142-151
- 作者机构：
  
  1. Institute of Physical Metallurgy and Metal Physics RWTH Aachen University
  2. Institute of Applied Mechanics RWTH Aachen University
  3. Materials Chemistry RWTH Aachen University
- 作者简介：
- 基金信息：
- DOI：10.1080/21663831.2017.1414081
  中图分类号：
- 网络首发：2017-12-17，
  
  纸质出版：2018
- 稿件说明：
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James S. K.-L. Gibson, Shahed Rezaei, Holger Rueß, 等. From quantum to continuum mechanics: studying the fracture toughness of transition metal nitrides and oxynitrides[J]. 材料研究快报（英文）, 2018,6(2):142-151.

James S. K.-L. Gibson, Shahed Rezaei, Holger Rueß, et al. From quantum to continuum mechanics: studying the fracture toughness of transition metal nitrides and oxynitrides[J]. Materials Research Letters, 2018, 6(2): 142-151.
James S. K.-L. Gibson, Shahed Rezaei, Holger Rueß, 等. From quantum to continuum mechanics: studying the fracture toughness of transition metal nitrides and oxynitrides[J]. 材料研究快报（英文）, 2018,6(2):142-151. DOI： 10.1080/21663831.2017.1414081.

James S. K.-L. Gibson, Shahed Rezaei, Holger Rueß, et al. From quantum to continuum mechanics: studying the fracture toughness of transition metal nitrides and oxynitrides[J]. Materials Research Letters, 2018, 6(2): 142-151. DOI： 10.1080/21663831.2017.1414081.

摘要

Abstract

BSTRACTWe show here

based on VAlN

TiAlN and the related oxynitrides

that the (brittle) fracture and elastic properties may be consistently modelled from quantum- to continuum mechanics using micromechanical testing to link both scales. The measured elastic moduli match closely with those predicted by density functional theory calculations. Good agreement was also observed between the micro-cantilever bending experiments and cohesive-zone-finite element modelling. These scale-bridging data serve as a baseline for future improvements of the fracture toughness of these coating systems based on microstructure and coating architecture optimization.

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相关机构

College of Materials Science and Engineering Key Laboratory of Advanced Functional Materials Ministry of Education of China Beijing University of Technology

1 Key Laboratory for Light-Weight Materials Nanjing Tech University

2 Herbert Gleiter Institute of Nanoscience Nanjing University of Science and Technology

3 Institute of Mechanics Materials and Civil Engineering UCLouvain

a Christian Doppler Laboratory for Surface Engineering of high-performance Components TU Wien

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