The martensitic-type phase transformation paths from the rutile to theα-PbO2 phase of TiO2 are studied with linear interpolation and NEB/G-SSNEB methods based on first-principles calculations.Its potential energy sur...The martensitic-type phase transformation paths from the rutile to theα-PbO2 phase of TiO2 are studied with linear interpolation and NEB/G-SSNEB methods based on first-principles calculations.Its potential energy surface and the lowest energy path are revealed.Our results indicate that the titanium atoms of the rutile phase shuffle along the[0-11]rut crystal direction to form theα-PbO2 phase.During the phase transition,the oxygen atoms are dragged by the heavier titanium atoms and then reach their new equilibrium positions.The barrier of phase transition from nudged elastic band theory is about 231 meV,which is qualitatively consistent with previous theoretical calculations from the monoclinic phase to the tetragonal phase for ZrO2 and HfO2.Debye model can also be successfully used to predict the pressure and temperature of the phase transformation.展开更多
基于图论方法提出了一种新的证据信任模型(graph theory based evidential trust model,GTETM),解决了现有证据信任模型中普遍存在的在信任聚合过程中缺少对信任链之间依赖关系的有效处理等引起的模型性能下降问题.同时,GTETM在建模实...基于图论方法提出了一种新的证据信任模型(graph theory based evidential trust model,GTETM),解决了现有证据信任模型中普遍存在的在信任聚合过程中缺少对信任链之间依赖关系的有效处理等引起的模型性能下降问题.同时,GTETM在建模实体的信任度时区分实体的服务信任度与反馈信任度,并在证据理论框架下提出两种不同的信任传递方法,增强了模型抵抗恶意推荐攻击的能力.仿真实验表明,与已有信任度量模型相比,GTETM具有更强的抑制策略欺骗及共谋行为的能力,在信任度量准确性方面也有较大提高.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant Nos.51872227,51572219,and 11447030).
文摘The martensitic-type phase transformation paths from the rutile to theα-PbO2 phase of TiO2 are studied with linear interpolation and NEB/G-SSNEB methods based on first-principles calculations.Its potential energy surface and the lowest energy path are revealed.Our results indicate that the titanium atoms of the rutile phase shuffle along the[0-11]rut crystal direction to form theα-PbO2 phase.During the phase transition,the oxygen atoms are dragged by the heavier titanium atoms and then reach their new equilibrium positions.The barrier of phase transition from nudged elastic band theory is about 231 meV,which is qualitatively consistent with previous theoretical calculations from the monoclinic phase to the tetragonal phase for ZrO2 and HfO2.Debye model can also be successfully used to predict the pressure and temperature of the phase transformation.
文摘基于图论方法提出了一种新的证据信任模型(graph theory based evidential trust model,GTETM),解决了现有证据信任模型中普遍存在的在信任聚合过程中缺少对信任链之间依赖关系的有效处理等引起的模型性能下降问题.同时,GTETM在建模实体的信任度时区分实体的服务信任度与反馈信任度,并在证据理论框架下提出两种不同的信任传递方法,增强了模型抵抗恶意推荐攻击的能力.仿真实验表明,与已有信任度量模型相比,GTETM具有更强的抑制策略欺骗及共谋行为的能力,在信任度量准确性方面也有较大提高.
