随机反应扩散格气模型上钙动力学的粗粒化模拟

发展了一种基于随机格气模型的粗粒化方法,该方法能有效模拟内质网表面钙动力学信息. 首先将相邻的微观节点合并成粗粒化节点,再根据局域平均场近似推导出粗粒化反应速率,然后执行粗粒化动力学蒙特卡洛模拟. 发现粗粒化动力学蒙特卡洛模拟结果和微观模拟结果非常吻合. 有趣的是,存在一个最佳的粗粒化比m,使得粗粒化模拟与微观模拟的相变点偏差最小. 固定m,发现临界点随体系尺度增加而单调增加,而且相变点的偏差与体系尺度存在一个标度关系.此外,该粗粒化方法大大地加快了蒙特卡洛模拟速率,并且与微观模拟直接相关. 该方法可以广泛用来研究体系尺度效应,而节省大量计算时间.     

Synchronized Anti-Phase and In-Phase Oscillations of Intracellular Calcium Ions in Two Coupled Hepatocytes System

We study the dynamic behaviour of two intracellufar calcium oscillators that are coupled through gap junctions both to Ca^2＋ and inositol（1,4,5）-trisphosphate （IP3）. It is found that synchronized anti-phase and in-phase oscillations of cytoplasmic cadcium coexist in parameters space. Especially, synchronized anti-phase oscillations only occur near the onset of a Hopf bifurcation point when the velocity of IP3 synthesis is increased. In addition, two kinds of coupling effects, i.e., the diffusions of Ca^2＋ and IP3 among cells on synchronous behaviour, are considered. We fnd that small coupling of Ca^2＋ and large coupling of IP3 facilitate the emergence of synchronized anti-phase oscillations. However, the result is contrary for the synchronized in-phase case. Our findings may provide a qualitative understanding about the mechanism of synchronous behaviour of intercellular calcium signalling.     

Amplified Signal Response by Neuronal Diversity on Complex Networks

The effect of diversity on dynamics of coupled FitzHugh-Nagumo neurons on complex networks is numerically investigated, where each neuron is subjected to an external subthreshold signal. With the diversity the network is a mixture of excitable and oscillatory neurons, and the diversity is determined by the variance of the system＇s parameter. The complex network is constructed by randomly adding long-range connections （shortcuts） on a nearest-neighbouring coupled one-dimensional chain. Numerical results show that external signals are maximally magnified at an intermediate value of the diversity, as in the case of well-known stochastic resonance, burthermore, the effects of the number of shortcuts and coupled strength on the diversity-induced phenomena are also discussed. These findings exhibit that the diversity may play a constructive role in response to external signal, and highlight the importance of the diversity on such complex networks.     

Ne-HF体系的相互作用势及散射截面的密耦计算

利用非线性最小二乘法拟合在CCSD(T)/aug-cc-pVQZ理论水平下计算的相互作用能,得到了基态Ne-HF体系相互作用势的解析表达式.基于拟合的CCSD(T)势,通过密耦计算得到了入射能量分别为60,75,100和150meV 时,Ne-HF散射的微分截面和分波截面,详细讨论了散射截面随能量的变化趋势以及态-态激发截面对总非弹性散射截面的影响. 关键词： 相互作用势 散射截面 密耦计算 Ne-HF体系     

Nontrivial Effect of Time-Varying Migration on the Three Species Prey-Predator System

Migration is ubiquitous in ecosystem and often plays an important role in biological diversity. In this work,by introducing a time-varying migration rate associated with the difference of subpopulation density into a prey, we study the Hopf bifurcation and the critical phenomenon of predator extinction of the three species prey-predator system,which consists of a predator, a prey and a mobile prey. It is found that the system with migration exhibits richer dynamic behaviors than that without migration, including two Hopf bifurcations and two limit cycles. Interestingly,the parameters of migration have a drastically influence on the critical point of predator extinction, determining the coexistence of species. Moreover, the population evolution dynamics of one-dimensional multiple prey-predator system are also discussed.     

介观化学反应体系中非平衡相变最可几路径的熵产生

针对一个双稳的介观化学反应体系计算了在非平衡相变时最可几路径的熵产生. 利用概率产生函数和程函近似,将化学主方程转化为经典的哈密顿-雅可比方程并通过相空间的零能轨线找到双稳态之间转变的最可几路径. 通过计算前向和逆向最可几路径的熵产生,发现在共存点系统熵变和介质熵变都为零,而在非共存点系统熵变和介质熵变皆不为零.     

细胞丛状化分布对二维耦合体系尺度选择效应的影响

采用随机模拟方法对体系的化学朗之万方程进行了数值模拟，考察了二维耦合细胞体系中，细胞的丛状化分布对于因内噪声作用而产生的尺度选择效应所带来的影响.研究发现，当体系处于Hopf分岔点附近时，由于耦合作用使得处于最佳状态的一定数目的细胞呈现丛状化聚集在一起，而这种丛状化分布的“团队精神”可以极大地提高体系的工作效率，表现为体系对外界刺激信号的响应能力(信噪比)达到极大值.同时还观察到，体系对外界刺激最为敏感时对应的最佳细胞丛尺度大小不随耦合强度的改变而变化，而体系输出信号的信噪比，随着耦合强度的增加有增大趋势.这些现象表明，细胞的丛状化分布将极大地增强细胞中钙离子信号对外界刺激的响应效果.生物体系本身可能具有这种特性，并利用它来改善和提高感受外界信息的能力.