In the application of spectral method to the calculation of moving interface between fluids in porous medium there are two difficulties: the spectral calcula- tion of function defined by a singular integral and the nu...In the application of spectral method to the calculation of moving interface between fluids in porous medium there are two difficulties: the spectral calcula- tion of function defined by a singular integral and the numerical quadrature of highly oscillating function. This paper proposes a spectral method for calculating the problem and finds the way to overcome the two difficulties. Example calcula- tions show that the method can describe successfully interfacial motion and, with almost the same order of computational amount, is more accurate and stabler than the corresponding finite difference method.展开更多
First-principle calculations were performed to study the adsorption of boron and its relationship with the morphologies of Ti C.It is found that although the adsorption of boron on all the low-index Ti C crystal plane...First-principle calculations were performed to study the adsorption of boron and its relationship with the morphologies of Ti C.It is found that although the adsorption of boron on all the low-index Ti C crystal planes is thermally favorable,it will be adsorbed more easily by C-terminated {111} and {011} planes,while less possible to be adsorbed by {001}.The study of the formation of B–B clusters indicates that the distribution of boron adatoms on C-terminated（111） and {011} planes will be more uniform,and the diffusion of the adatom further confirms the above results.According to the geometry relationship and growth rate of different crystal planes,it is deduced that the adsorption of boron on Ti C will seriously impede the growth of {111} and {011} planes,which can make Ti C grow into hexagonal platelets.展开更多
基金This work is supported by the National Natural Science Foundation of China
文摘In the application of spectral method to the calculation of moving interface between fluids in porous medium there are two difficulties: the spectral calcula- tion of function defined by a singular integral and the numerical quadrature of highly oscillating function. This paper proposes a spectral method for calculating the problem and finds the way to overcome the two difficulties. Example calcula- tions show that the method can describe successfully interfacial motion and, with almost the same order of computational amount, is more accurate and stabler than the corresponding finite difference method.
基金financially supported by the National Natural Science Foundation of China (No.51301068)the Natural Science Foundation of Hebei Province (No.E2014502003 and A2013502120)the Fundamental Research Funds for the Central Universities (No.2014MS116)
文摘First-principle calculations were performed to study the adsorption of boron and its relationship with the morphologies of Ti C.It is found that although the adsorption of boron on all the low-index Ti C crystal planes is thermally favorable,it will be adsorbed more easily by C-terminated {111} and {011} planes,while less possible to be adsorbed by {001}.The study of the formation of B–B clusters indicates that the distribution of boron adatoms on C-terminated（111） and {011} planes will be more uniform,and the diffusion of the adatom further confirms the above results.According to the geometry relationship and growth rate of different crystal planes,it is deduced that the adsorption of boron on Ti C will seriously impede the growth of {111} and {011} planes,which can make Ti C grow into hexagonal platelets.
