Molecular dynamics simulations are performed to investigate the mechanical behavior of nanotwinned NiCo-based alloys containing coherent L1_(2) nano-precipitates at different temperatures,as well as the interactions b...Molecular dynamics simulations are performed to investigate the mechanical behavior of nanotwinned NiCo-based alloys containing coherent L1_(2) nano-precipitates at different temperatures,as well as the interactions between the dislocations and nano-precipitates within the nanotwins.The simulation results demonstrate that both the yield stress and flow stress in the nanotwinned NiCo-based alloys with nano-precipitates decrease as the temperature rises,because the higher temperatures lead to the generation of more defects during yielding and lower dislocation density during plastic deformation.Moreover,the coherent L1_(2) phase exhibits excellent thermal stability,which enables the hinderance of dislocation motion at elevated temperatures via the wrapping and cutting mechanisms of dislocations.The synergistic effect of nanotwins and nano-precipitates results in more significant strengthening behavior in the nanotwinned NiCo-based alloys under high temperatures.In addition,the high-temperature mechanical behavior of nanotwinned NiCo-based alloys with nano-precipitates is sensitive to the size and volume fraction of the microstructures.These findings could be helpful for the design of nanotwins and nano-precipitates to improve the high-temperature mechanical properties of NiCo-based alloys.展开更多
NiCo-based superalloys exhibit higher strength and creep resistance over conventional superalloys.Compositional effects on elastic properties of the γ and γ' phases in newly-developed NiCo-based superalloys were...NiCo-based superalloys exhibit higher strength and creep resistance over conventional superalloys.Compositional effects on elastic properties of the γ and γ' phases in newly-developed NiCo-based superalloys were investigated by first-principles calculation combined with special quasi-random structures.The lattice constant,bulk modulus,and elastic constants vary linearly with the Co concentration in the NiCo solution.In the selected(Ni,Co)3(Al,W)and(Ni,Co)3(Al,Ti)model γ' phase,the lattice constant,and bulk modulus show a linear trend with alloying element concentrations.The addition of Co,Ti,and W can regulate lattice mismatch and increase the bulk modulus,simultaneously.W-addition shows excellent performance in strengthening the elastic properties in the γ' phase.Systems become unstable with higher W and Ni contents,e.g.,(Ni0.75Co0.25)3(Al0.25 W0.75),and become brittle with higher W and Co addition,e.g.,Co3(Al0.25 W0.75).Furthermore,Co,Ti,and W can increase the elastic constants on the whole,and such high elastic constants always correspond to a high elastic modulus.The anisotropy index always corresponds to the nature of Young's modulus in a specific direction.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant No.12072317)the Natural Science Foundation of Zhejiang Province(Grant No.LZ21A020002)+2 种基金Ligang Sun gratefully acknowledges the support received from the Guangdong Basic and Applied Basic Research Foundation(Grant No.22022A1515011402)the Science,Technology and Innovation Commission of Shenzhen Municipality(Grant No.GXWD20231130102735001)Development and Reform Commission of Shenzhen(Grant No.XMHT20220103004).
文摘Molecular dynamics simulations are performed to investigate the mechanical behavior of nanotwinned NiCo-based alloys containing coherent L1_(2) nano-precipitates at different temperatures,as well as the interactions between the dislocations and nano-precipitates within the nanotwins.The simulation results demonstrate that both the yield stress and flow stress in the nanotwinned NiCo-based alloys with nano-precipitates decrease as the temperature rises,because the higher temperatures lead to the generation of more defects during yielding and lower dislocation density during plastic deformation.Moreover,the coherent L1_(2) phase exhibits excellent thermal stability,which enables the hinderance of dislocation motion at elevated temperatures via the wrapping and cutting mechanisms of dislocations.The synergistic effect of nanotwins and nano-precipitates results in more significant strengthening behavior in the nanotwinned NiCo-based alloys under high temperatures.In addition,the high-temperature mechanical behavior of nanotwinned NiCo-based alloys with nano-precipitates is sensitive to the size and volume fraction of the microstructures.These findings could be helpful for the design of nanotwins and nano-precipitates to improve the high-temperature mechanical properties of NiCo-based alloys.
基金Project supported by the National Key Research and Development Program of China(Grant No.2017YFB0701502).
文摘NiCo-based superalloys exhibit higher strength and creep resistance over conventional superalloys.Compositional effects on elastic properties of the γ and γ' phases in newly-developed NiCo-based superalloys were investigated by first-principles calculation combined with special quasi-random structures.The lattice constant,bulk modulus,and elastic constants vary linearly with the Co concentration in the NiCo solution.In the selected(Ni,Co)3(Al,W)and(Ni,Co)3(Al,Ti)model γ' phase,the lattice constant,and bulk modulus show a linear trend with alloying element concentrations.The addition of Co,Ti,and W can regulate lattice mismatch and increase the bulk modulus,simultaneously.W-addition shows excellent performance in strengthening the elastic properties in the γ' phase.Systems become unstable with higher W and Ni contents,e.g.,(Ni0.75Co0.25)3(Al0.25 W0.75),and become brittle with higher W and Co addition,e.g.,Co3(Al0.25 W0.75).Furthermore,Co,Ti,and W can increase the elastic constants on the whole,and such high elastic constants always correspond to a high elastic modulus.The anisotropy index always corresponds to the nature of Young's modulus in a specific direction.
