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Full-Text Articles in Engineering
High-Throughput Computation Of New Carbon Allotropes With Diverse Hybridization And Ultrahigh Hardness, Mohammed Al-Fahdi, Alejandro Rodriguez, Tao Ouyang, Ming Hu
High-Throughput Computation Of New Carbon Allotropes With Diverse Hybridization And Ultrahigh Hardness, Mohammed Al-Fahdi, Alejandro Rodriguez, Tao Ouyang, Ming Hu
Faculty Publications
The discovery of new carbon allotropes with different building blocks and crystal symmetries has long been of great interest to broad materials science fields. Herein, we report several hundred new carbon allotropes predicted by the state-of-the-art RG2 code and first-principles calculations. The types of new carbon allotropes that were identified in this work span pure sp2 , hybrid sp2/sp3 , and pure sp3 C–C bonding. All structures were globally optimized at the first-principles level. The thermodynamic stability of some selected carbon allotropes was further validated by computing their phonon dispersions. The predicted carbon allotropes …
Doping Dependence Of Electronic And Mechanical Properties Of Gase1−XTeX And Ga1−XInXSe From First Principles, Zs. Rak, S. D. Mahanti, K. C. Mandal, N. C. Fernelius
Doping Dependence Of Electronic And Mechanical Properties Of Gase1−XTeX And Ga1−XInXSe From First Principles, Zs. Rak, S. D. Mahanti, K. C. Mandal, N. C. Fernelius
Faculty Publications
No abstract provided.
Effect Of Tensile Offset Angles On Micro/Nanoscale Tensile Testing, Xiaodong Li, Xinnan Wang, Wei-Che Chang, Yuh-Jin Chao, Ming Chang
Effect Of Tensile Offset Angles On Micro/Nanoscale Tensile Testing, Xiaodong Li, Xinnan Wang, Wei-Che Chang, Yuh-Jin Chao, Ming Chang
Faculty Publications
For one-dimensional (1D) structures such as tubes, wires, and beams, tensile testing is a simple and reliable methodology for measuring their mechanical properties. The tensile offset angle effect on mechanical property measurement has long been ignored. In this study, theoretical and finite-element analysis(FEA) models for analyzing the tensile offset angle effect have been established. It is found that longitudinal stress decreases with increasing offset angles. The theoretically calculated elastic modulus relative errors reach 4.45% at the offset angle of 10°, whereas the experimentally measured elastic modulus relative errors are 45.4% at the offset angle of 15°. The difference in elastic …
Effect Of Residual Thermal Stresses On Fracture Behavior And Mechanical Properties Of Al Sub 2 O Sub 3/Ni Cermets, Guo Jin Li, Da Ming Chen, Xiao Xian Huang, Jing Kun Guo
Effect Of Residual Thermal Stresses On Fracture Behavior And Mechanical Properties Of Al Sub 2 O Sub 3/Ni Cermets, Guo Jin Li, Da Ming Chen, Xiao Xian Huang, Jing Kun Guo
Faculty Publications
Effect of residual thermal stresses on fracture behavior and mechanical properties of Al2O3/Ni cermets was qualitatively explained by using theory on residual thermal stresses. When Ni particles are located within Al2O3 grains or Ni content is relatively low, tensile stresses are exerted at Al2O3-Al2O3 grain boundary. While fracturing, intergranular fracture is easily produced. When Ni particles are dispersed at Al2O3 grain boundary or Ni content is relatively high, compressive stresses are exerted at Al2O3-Al2O3grain boundary. …