已有实验表明,处于细胞质中的微管可以比自由微管承受更大的压力而不发生屈曲.基于嵌入式碳纳米管屈曲的Winkler模型,利用正交各向异性情形的Winkler模型研究了细胞质中充当细胞骨架的微管的屈曲行为.计算表明,本模型可以较好地预测嵌...已有实验表明,处于细胞质中的微管可以比自由微管承受更大的压力而不发生屈曲.基于嵌入式碳纳米管屈曲的Winkler模型,利用正交各向异性情形的Winkler模型研究了细胞质中充当细胞骨架的微管的屈曲行为.计算表明,本模型可以较好地预测嵌入弹性介质中的微管较自由微管承受更大屈曲压力这一现象,而且所得到的临界屈曲压力与微管受压屈曲的实验值吻合[Needleman D J,Ojeda-Lopez M A,Kai Ewert U R,Miller H P,Wilson L,Safiny C R.Biophys J,2005,89(5):3410-3423;Needleman D J,Ojeda-Lopez M A,Raviv U,Ewert K,Jones J B,Miller HP L,Wilso L,Safinya C R.Phys Rev Lett,2004,93(19):1981041-1981044.].同时,所得的结果也表明周围介质与微管的相互作用可以极大地提高微管抵抗屈曲的能力,该结果很好地阐释了介质与微管相互作用从而提高微管抗屈曲压力的相互作用机制[Brangwynne C P,MacKintosh F C,Ku-mar S,Geisse N A,Talbot J,Mahadevan L,Parker K K,Ingber D E,Weitz D A.The Journal of CellBiology,2006,173(5):733-741].模拟结果表明,所给出的模型可以对嵌入弹性介质中的微管的屈曲行为进行很好地模拟.展开更多
Dilithium ethylene dicarbonate(Li_(2)EDC) and dilithium butylene dicarbonate(Li_(2)BDC) are the common organic compositions of the solid electrolyte interphase(SEI) layers in rechargeable lithium-ion batteries.The Li^...Dilithium ethylene dicarbonate(Li_(2)EDC) and dilithium butylene dicarbonate(Li_(2)BDC) are the common organic compositions of the solid electrolyte interphase(SEI) layers in rechargeable lithium-ion batteries.The Li^(+) diffusion in the amorphous and ordered phases of Li_(2) EDC and Li_(2) BDC under various strains has been investigated by using molecular dynamics simulations.It is found that different strains lead to diverse changes in Li^(+) diffusivity.The tensile strain makes the Li+diffusion coefficients increase in amorphous and ordered Li_(2)EDC or Li_(2) BDC,and the compressive strain makes the Li+diffusion coefficients decrease in them.The average Li+coordination number calculation,ion conductivity calculation and the calculation of the residence autocorrelation function in amorphous and ordered Li_(2)EDC or Li_(2)BDC are performed to further analyze the strain effects on Li^(+) transport in them.The factors influencing Li^(+) diffusion in amorphous and ordered Li_(2)EDC or Li_(2) BDC under the strain are discussed.展开更多
文摘已有实验表明,处于细胞质中的微管可以比自由微管承受更大的压力而不发生屈曲.基于嵌入式碳纳米管屈曲的Winkler模型,利用正交各向异性情形的Winkler模型研究了细胞质中充当细胞骨架的微管的屈曲行为.计算表明,本模型可以较好地预测嵌入弹性介质中的微管较自由微管承受更大屈曲压力这一现象,而且所得到的临界屈曲压力与微管受压屈曲的实验值吻合[Needleman D J,Ojeda-Lopez M A,Kai Ewert U R,Miller H P,Wilson L,Safiny C R.Biophys J,2005,89(5):3410-3423;Needleman D J,Ojeda-Lopez M A,Raviv U,Ewert K,Jones J B,Miller HP L,Wilso L,Safinya C R.Phys Rev Lett,2004,93(19):1981041-1981044.].同时,所得的结果也表明周围介质与微管的相互作用可以极大地提高微管抵抗屈曲的能力,该结果很好地阐释了介质与微管相互作用从而提高微管抗屈曲压力的相互作用机制[Brangwynne C P,MacKintosh F C,Ku-mar S,Geisse N A,Talbot J,Mahadevan L,Parker K K,Ingber D E,Weitz D A.The Journal of CellBiology,2006,173(5):733-741].模拟结果表明,所给出的模型可以对嵌入弹性介质中的微管的屈曲行为进行很好地模拟.
基金supported by Shanghai Supercomputer CenterProject supported by the National Natural Science Foundation of China (Grant No. 11872236)。
文摘Dilithium ethylene dicarbonate(Li_(2)EDC) and dilithium butylene dicarbonate(Li_(2)BDC) are the common organic compositions of the solid electrolyte interphase(SEI) layers in rechargeable lithium-ion batteries.The Li^(+) diffusion in the amorphous and ordered phases of Li_(2) EDC and Li_(2) BDC under various strains has been investigated by using molecular dynamics simulations.It is found that different strains lead to diverse changes in Li^(+) diffusivity.The tensile strain makes the Li+diffusion coefficients increase in amorphous and ordered Li_(2)EDC or Li_(2) BDC,and the compressive strain makes the Li+diffusion coefficients decrease in them.The average Li+coordination number calculation,ion conductivity calculation and the calculation of the residence autocorrelation function in amorphous and ordered Li_(2)EDC or Li_(2)BDC are performed to further analyze the strain effects on Li^(+) transport in them.The factors influencing Li^(+) diffusion in amorphous and ordered Li_(2)EDC or Li_(2) BDC under the strain are discussed.
