聚乙烯/银纳米颗粒复合物的分子动力学模拟研究

通过分子动力学模拟对聚乙烯/银纳米颗粒复合物的结构、极化率和红外光谱、热力学性质、力学特性进行计算, 分析其随模拟温度和银颗粒尺寸的变化规律. 模拟结果表明: 聚乙烯/银纳米颗粒复合物为各向同性的无定形结构, 温度升高可提高银纳米颗粒的分散均匀性; 银纳米颗粒表面多个原子层呈现无定形状态, 并在银颗粒和聚乙烯基体的界面形成电极化层, 界面区域随颗粒尺寸和温度的增加分别减小和增加; 与聚乙烯体系相比, 聚乙烯/银纳米颗粒复合物的极化率高很多, 且随温度的升高和银颗粒尺寸的减小而增大; 银颗粒尺寸直接影响界面电偶极矩的强度和振动频率, 红外光谱峰强度和峰位随颗粒尺寸发生变化; 聚乙烯/银纳米颗粒复合物具有比聚乙烯体系更高的等容热容和与聚乙烯体系相反的负值热压力系数, 热容随颗粒尺寸的变化较小, 但随温度的升高而明显减小, 具有显著的温度效应; 热压力系数随温度的变化较小, 但随颗粒尺寸的增加而减小, 具有明显的尺度效应, 温度稳定性更好; 聚乙烯/银纳米颗粒复合物的力学特性表现出各向同性材料的弹性常数张量, 具有比聚乙烯体系更高的杨氏模量和泊松比, 并且都随温度的升高和银颗粒尺寸的增大而减小, 加入银纳米颗粒可有效改善聚乙烯的力学性质. 关键词： 分子动力学模拟 聚合物纳米复合物 纳米颗粒     

Vaidya-Bonner黑洞的熵

从零曲面方程出发,得到了VaidyaBonner黑洞的视界;利用KleinGordon方程和薄膜BrickWall模型,并采用WKB近似方法,求出了VaidyaBonner黑洞的熵,所得的熵正好与该黑洞的视界面积成正比. 关键词： 黑洞 熵 薄膜Brick-Wall模型 视界     

Discussion of Garfinkle-Horowitz-Strominger Dilaton Black Hole Entropy

We discuss the entropy of the Garfinkle-Horowitz-Strominger dilaton black hole by using the thin film brick-wall model, and the entropy obtained is proportional to the horizon area of the black hole confirming the Bekenstein-Hawking＇s area-entropy formula. Then, by comparing with the original brick-wall method, we find that the result obtained by the thin film method is more reasonable avoiding some drawbacks, such as little mass approximation, neglecting logarithm term, and taking the term L^3 as a contribution of the vacuum surrounding the black hole, and the physical meaning of the entropy is more clearer.     

Discussion of Garfinkle-Horowitz-Strominger Dilaton Black Hole Entropy

We discuss the entropy of the Garfinkle-Horowitz-Strominger dilaton black hole by using the thin film brick-wall model, and the entropy obtained is proportional to the horizon area of the black hole confirming the Bekenstein-Hawking's area-entropy formula. Then, by comparing with the original brick-wall method, we find that theresult obtained by the thin film method is more reasonable avoiding some drawbacks, such as little mass approximation, neglecting logarithm term, and taking the term L³ as a contribution of the vacuum surrounding the black hole, and the physical meaning of the entropy is more clearer.     

直线加速运动动态黑洞的熵

选取超前爱丁顿坐标,采用薄膜brickwall模型,计算Kinnersley度规表述的直线加速运动动态黑洞的熵.通过此方法,可以给出视界面上每一点的温度和熵密度.这一结果表明,熵与视界面积成正比的结论,不仅适用于整个视界,也适用于视界面上的局部;不仅适用于稳态黑洞,也适用于动态黑洞.在薄膜趋于视界面时,其厚度也趋于零,薄膜本身成为视界面,黑洞熵就是视界面上量子态的熵 关键词： 熵 加速黑洞 薄膜brickwall模型     

聚酰亚胺/铜纳米颗粒复合物的分子动力学模拟研究

通过分子动力学模拟对聚酰亚胺/铜纳米颗粒复合物的形态结构、 热力学性质、力学特性进行计算, 分析其随模拟温度和纳米颗粒尺寸的变化规律. 模拟结果表明, 聚酰亚胺/铜纳米颗粒复合物为各向同性的无定形态结构, 铜纳米颗粒与聚酰亚胺基体之间通过较强的范德华作用结合在一起使结构更加稳定, 铜纳米颗粒表面多个原子层呈现无定形状态, 在铜颗粒和聚酰亚胺基体之间形成界面层, 界面区域随颗粒尺寸和温度的增加分别减小和增加. 聚酰亚胺/铜纳米颗粒复合物的等容热容随着颗粒尺寸增大而明显增高, 随温度变化比聚酰亚胺体系更为缓慢, 在较低温度下较小颗粒尺寸复合物的热容比聚酰亚胺体系更低. 聚酰亚胺/铜纳米颗粒复合物的热压力系数随颗粒尺寸增加而显著增大, 比聚酰亚胺体系的热压力系数更小, 且随温度升高而减小的程度要小得多. 聚酰亚胺/铜纳米颗粒复合物的热力学性质表现出明显的尺度效应, 温度稳定性明显高于聚酰亚胺体系. 聚酰亚胺/铜纳米颗粒复合物的力学特性表现出各向同性材料的弹性常数张量, 具有比聚酰亚胺体系更低的杨氏模量和泊松比, 随温度升高分别减小和增大, 与聚酰亚胺体系随温度的变化趋势相反, 且杨氏模量的温度稳定性显著提高, 同时泊松比随纳米颗粒尺寸增大而减小, 具有明显的尺度效应. 加入铜纳米颗粒形成复合物可获得与聚酰亚胺体系显著不同的力学新特性. 关键词： 分子动力学模拟 聚合物纳米复合物 聚酰亚胺 纳米颗粒     

The Free Energy and Entropy of Schwarzschild Black Hole Due to Scalar Field

Using the thin film brick-wall model,taking into account the effect of the generalized uncertainty principle on the equation of the density of the states, we calculate the free energy and entropy of schwarzschild black hole due to scalar field, we obtain the entropy proportional to the event horizon area without cutoff. This implies that quantum theory of gravity can remove the divergence of the state density on the event horizon and avoid the cutoff in the original brick-wall model, these results also mean that the thin film brick-wall model is universal. PACS: 0420;9760L.     

一般球对称带电蒸发黑洞的熵

从一般球对称带电蒸发黑洞的时空线元和零曲面方程出发,得到了该黑洞的视界;利用KleinGordon方程求得波数,进而采用WenzelKramersBrillouin近似方法和薄膜brickwall模型,求出了一般球对称带电蒸发黑洞的熵,所得的熵正好与该黑洞的视界面积成正比 关键词： 黑洞 KleinGordon方程 熵 薄膜brickwall模型 视界     

The Systematic Bias of Entropy Calculation in the Multi-Scale Entropy Algorithm

Entropy indicates irregularity or randomness of a dynamic system. Over the decades, entropy calculated at different scales of the system through subsampling or coarse graining has been used as a surrogate measure of system complexity. One popular multi-scale entropy analysis is the multi-scale sample entropy (MSE), which calculates entropy through the sample entropy (SampEn) formula at each time scale. SampEn is defined by the “logarithmic likelihood” that a small section (within a window of a length m) of the data “matches” with other sections will still “match” the others if the section window length increases by one. “Match” is defined by a threshold of r times standard deviation of the entire time series. A problem of current MSE algorithm is that SampEn calculations at different scales are based on the same matching threshold defined by the original time series but data standard deviation actually changes with the subsampling scales. Using a fixed threshold will automatically introduce systematic bias to the calculation results. The purpose of this paper is to mathematically present this systematic bias and to provide methods for correcting it. Our work will help the large MSE user community avoiding introducing the bias to their multi-scale SampEn calculation results.     

变加速直线运动黑洞的温度和Dirac场的熵

采用Tortoise坐标变换,约化视界面附近Dirac场方程,得到Kinnersley黑洞的Hawking温度.用薄膜brick-wall模型,计算Kinnersley黑洞的熵,得到通过选择适当的截断因子和薄层,在视界面附近薄层上的熵就是黑洞的熵,结果表明黑洞熵与视界面积成正比.     

动态广义球对称含荷黑洞Dirac场的熵

利用改进后的薄膜brick-wall模型，计算了动态广义球对称含荷黑洞Dirac场的熵.按薄层模型的观点，在视界附近薄场上的熵就是黑洞的熵.计算结果表明所得到的黑洞熵与其视界面积成正比. 关键词： 黑洞 薄膜brick-wall模型 熵 Dirac场     

Double Feature Extraction Method of Ship-Radiated Noise Signal Based on Slope Entropy and Permutation Entropy

In order to accurately identify various types of ships and develop coastal defenses, a single feature extraction method based on slope entropy (SlEn) and a double feature extraction method based on SlEn combined with permutation entropy (SlEn&PE) are proposed. Firstly, SlEn is used for the feature extraction of ship-radiated noise signal (SNS) compared with permutation entropy (PE), dispersion entropy (DE), fluctuation dispersion entropy (FDE), and reverse dispersion entropy (RDE), so that the effectiveness of SlEn is verified, and SlEn has the highest recognition rate calculated by the k-Nearest Neighbor (KNN) algorithm. Secondly, SlEn is combined with PE, DE, FDE, and RDE, respectively, to extract the feature of SNS for a higher recognition rate, and SlEn&PE has the highest recognition rate after the calculation of the KNN algorithm. Lastly, the recognition rates of SlEn and SlEn&PE are compared, and the recognition rates of SlEn&PE are higher than SlEn by 4.22%. Therefore, the double feature extraction method proposed in this paper is more effective in the application of ship type recognition.     

Entropy of Dirac Field in Non-stationary and Slowly Changing Reissner-Nordstrom Black Hole

Using the thin film brick-wall model and WKB approximation, the entropy of the Dirac field in the nonstationary and slowly changing Reissner-Nordstrom （R-N） black hole is calculated. The result shows that the entropy of the R-N black hole is still proportional to its surface area if we choose proper cut-off.     

Entropy of Dirac Field in Non-stationary and Slowly Changing Reissner-Nordstrom Black Hole

Using the thin film brick-wall model and WKB approximation, the entropy of the Dirac field in the non-stationary and slowly changing Reissner-Nordstrom (R-N) black hole is calculated. The result shows that the entropy of the R-N black hole is still proportional to its surface area if we choose proper cut-off.     

单个守恒型方程熵耗散格式中熵耗散函数的构造

对于一维单个守恒律方程,文[8]设计了一种非线性守恒型差分格式.此格式为二阶Godunov型的,用的是分片线性重构(reconstruction),重构函数的斜率是根据熵耗散得到的.格式满足熵条件.与传统的守恒格式不同的是此格式在计算过程中不仅用到了数值解还用到了数值熵.在此格式中一个所谓的熵耗散函数起到了很重要的作用,它在每一个网格的计算中耗散熵,以保证格式满足熵条件.文[8]中设计的熵耗散函数比较复杂,并且不是很完善.故数值地分析了在格式的构造中为何应给熵以一定的耗散,及应耗散多少.并且给出了一个新的以数值解的二阶差分作为基本模块的熵耗散函数.最后给出了相应的数值算例.     

A Generalized Measure of Cumulative Residual Entropy

In this work, we introduce a generalized measure of cumulative residual entropy and study its properties. We show that several existing measures of entropy, such as cumulative residual entropy, weighted cumulative residual entropy and cumulative residual Tsallis entropy, are all special cases of this generalized cumulative residual entropy. We also propose a measure of generalized cumulative entropy, which includes cumulative entropy, weighted cumulative entropy and cumulative Tsallis entropy as special cases. We discuss a generating function approach, using which we derive different entropy measures. We provide residual and cumulative versions of Sharma–Taneja–Mittal entropy and obtain them as special cases this generalized measure of entropy. Finally, using the newly introduced entropy measures, we establish some relationships between entropy and extropy measures.     

Time Dependence of Entropy Flux and Entropy Production of a Dissipative Dynamical System Driven by Non-Gaussian Noise

A stochastic dissipative dynamical system driven by non-Gaussian noise is investigated. A general approximate Fokker-Planck equation of the system is derived through a path-integral approach. Based on the definition of Shannon＇s information entropy, the exact time dependence of entropy flux and entropy production of the system is calculated both in the absence and in the presence of non-equilibrium constraint. The present calculation can be used to interpret the interplay of the dissipative constant and non-Gaussian noise on the entropy flux and entropy production.     

Entropy of charged dilaton-axion black hole with minimal length revisited

Using the generalized uncertainty principle, we calculate the entropy of the charged dilaton-axion black hole for both asymptotically flat and non-flat cases by counting degrees of freedom near the horizon. The divergence of density of states and free energy appearing in the thin film brick-wall model is removed without any cutoff. The entropy proportional to the horizon area is derived from the contribution of the vicinity of the horizon.      

直线加速动态黑洞Dirac场的熵

采用薄层模型brickwall方法,计算出了直线加速动态黑洞视界面上Dirac场的熵以及Rindler视界面上Dirac场的熵密度,通过适当选择时间依赖的截断因子ε和薄层厚度δ,仍可得出熵与面积成正比的结论 关键词： 熵 加速动态黑洞 薄层模型 Dirac场 Dirac方程     

Regularization of Quantum Relative Entropy in Finite Dimensions and Application to Entropy Production

The fundamental concept of relative entropy is extended to a functional that is regular-valued also on arbitrary pairs of nonfaithful states of open quantum systems. This regularized version preserves almost all important properties of ordinary relative entropy such as joint convexity and contractivity under completely positive quantum dynamical semigroup time evolution. On this basis a generalized formula for entropy production is proposed, the applicability of which is tested in models of irreversible processes. The dynamics of the latter is determined by either Markovian or non-Markovian master equations and involves all types of states.