The segregation behavior of phosphorus on the grain boundary (GB) structure and mechanical response has been studied in the Ni-P system. Fourteen twist and tilt bi-crystals have been selected from the Olmsted dataset. Then, hybrid Monte Carlo/Molecular dynamics simulations (MC/MD) are used to obtain the equilibrium GB at 300 K and 1000 K, respectively. The present study indicates that solute phosphorus dissolved in the nickel matrix is inhomogeneous segregated to all of the GBs. GB characters including GB free volume and energy are found to correlate with segregation. The participated phase with Ni3P composition was observed only at 1000 K and for the lower energy GBs. Furthermore, we performed simulations of tensile deformation for the GBs with and without segregation. The twist and tilt GBs initially exhibit linear and non-linear elasticity behavior, respectively. The twist GBs demonstrate an increased yield strength with the help of phosphorus segregation. Besides, the thermal annealing process at 1000 K promotes uniform segregation at GB, leading to further strength enhancement. Conversely, the strength is weakened in segregated tilt GBs. This work illustrates the relationships among composition, GB structure, and mechanical properties.
机构:
Fine Ceram Res Assoc, Synergy Ceram Lab, Atsuta Ku, Nagoya, Aichi 4568587, JapanFine Ceram Res Assoc, Synergy Ceram Lab, Atsuta Ku, Nagoya, Aichi 4568587, Japan
Suzuki, H
Matsubara, H
论文数: 0引用数: 0
h-index: 0
机构:
Fine Ceram Res Assoc, Synergy Ceram Lab, Atsuta Ku, Nagoya, Aichi 4568587, JapanFine Ceram Res Assoc, Synergy Ceram Lab, Atsuta Ku, Nagoya, Aichi 4568587, Japan
机构:
Northwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R ChinaNorthwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
Hua, Dongpeng
Zhou, Qing
论文数: 0引用数: 0
h-index: 0
机构:
Northwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R ChinaNorthwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
Zhou, Qing
Shi, Yeran
论文数: 0引用数: 0
h-index: 0
机构:
Northwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R ChinaNorthwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
Shi, Yeran
Li, Shuo
论文数: 0引用数: 0
h-index: 0
机构:
Northwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R ChinaNorthwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
Li, Shuo
Hua, Ke
论文数: 0引用数: 0
h-index: 0
机构:
Northwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R ChinaNorthwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
Hua, Ke
Wang, Haifeng
论文数: 0引用数: 0
h-index: 0
机构:
Northwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R ChinaNorthwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
Wang, Haifeng
Li, Suzhi
论文数: 0引用数: 0
h-index: 0
机构:
Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R ChinaNorthwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
Li, Suzhi
Liu, Weimin
论文数: 0引用数: 0
h-index: 0
机构:
Northwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Gansu, Peoples R ChinaNorthwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
机构:
Fine Ceram Res Assoc, Synergy Ceram Lab, Atsuta Ku, Nagoya, Aichi 4568587, JapanFine Ceram Res Assoc, Synergy Ceram Lab, Atsuta Ku, Nagoya, Aichi 4568587, Japan
Suzuki, H
Matsubara, H
论文数: 0引用数: 0
h-index: 0
机构:
Fine Ceram Res Assoc, Synergy Ceram Lab, Atsuta Ku, Nagoya, Aichi 4568587, JapanFine Ceram Res Assoc, Synergy Ceram Lab, Atsuta Ku, Nagoya, Aichi 4568587, Japan
机构:
Northwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R ChinaNorthwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
Hua, Dongpeng
Zhou, Qing
论文数: 0引用数: 0
h-index: 0
机构:
Northwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R ChinaNorthwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
Zhou, Qing
Shi, Yeran
论文数: 0引用数: 0
h-index: 0
机构:
Northwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R ChinaNorthwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
Shi, Yeran
Li, Shuo
论文数: 0引用数: 0
h-index: 0
机构:
Northwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R ChinaNorthwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
Li, Shuo
Hua, Ke
论文数: 0引用数: 0
h-index: 0
机构:
Northwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R ChinaNorthwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
Hua, Ke
Wang, Haifeng
论文数: 0引用数: 0
h-index: 0
机构:
Northwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R ChinaNorthwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
Wang, Haifeng
Li, Suzhi
论文数: 0引用数: 0
h-index: 0
机构:
Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R ChinaNorthwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
Li, Suzhi
Liu, Weimin
论文数: 0引用数: 0
h-index: 0
机构:
Northwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China
Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Gansu, Peoples R ChinaNorthwestern Polytech Univ, Ctr Adv Lubricat & Seal Mat, State Key Lab Solidificat Proc, Xian 710072, Shaanxi, Peoples R China