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排序方式: 共有51条查询结果,搜索用时 15 毫秒
1.
微观下的热     
<正>在日常生活中,热传导现象很常见。宏观上热传导被看作能量在温度梯度场下的扩散行为,而这一输运过程取决于傅里叶定律给出的材料热导率。由傅里叶定律与能量守恒定律所衍生出的热传导方程,则描绘了温度在时间与空间中的分布。但是,这个宏观热传导方程留下了很多未解之谜。例如,为什么金刚石具有极高的热导率,而和它  相似文献   
2.
This paper investigates the stability of nitrogen nanobubbles under dif~ ferent concentrations of nitrogen molecules by molecular dynamics simulations. It is found that the stability of nanobubbles is very sensitive to the concentration of nitrogen molecules in water. A sharp transition between disperse states and assemble states of nitrogen molecules is observed when the concentration of nitrogen molecules is changed. The relevant critical concentration of nitrogen molecules needed by the existing nitrogen nanobubbles is analyzed.  相似文献   
3.
石国升  王志刚  赵纪军  胡钧  方海平 《中国物理 B》2011,20(6):68101-068101
Using density functional theory computation, we show that sodium ions and hydrated sodium ions can be strongly adsorbed onto a hydrophobic graphite surface via cation-π interactions. The key to this cation-π interaction is the coupling of the delocalized π states of graphite and the empty orbitals of sodium ions. This finding implies that the property of the graphite surface is extremely dependent on the existence of the ions on the surface, suggesting that the hydrophobic property of the graphite surface may be affected by the existence of the sodium ions.  相似文献   
4.
The structural and dynamic properties of nanoscale ethanol film on a mica surface are investigated via molecular dynamics simulations.We observe a dense,almost flat ethanol bilayer formed in the vicinity of the mica surface,with the hydrophobic alkyl groups pointing outward from the surface.Remarkably,such ethanol bilayer is laterally well-ordered with patterned adsorption sites.Each ethanol molecule in the first layer donates one hydrogen bond to the surface basal oxygen atoms and accepts one hydrogen bond from that in the second layer.The ethanol molecules within the bilayer exhibit constrained lateral mobility and delayed dynamics as compared with bulk ethanol,whereas those on top of the bilayer have bulk-like characteristics.  相似文献   
5.
One-dimensional ordered water molecules entering and exiting from a carbon nanotube with an appropriate radius are studied with molecular dynamics simulations.It can be found that a water molecule near the nanotube end is more likely to be expelled from the nanotube if its dipole is almost perpendicular to the nanotube axis.The key to this observation is that those water molecules axe closer to the wall of the nanotube away from the equilibrium position of the Lennar-Jones (LJ) potential.Thus,the interaction energy for those water molecules is relatively high.There are two particular structures of the perpendicular water molecule depending on the dipole direction of the adjacent water molecule in the nanotube.Although the probabilities of these structures are quite small,their contributions to the net flux across the nanotube end are approximately equal to the predominant structures.The present findings further show the possibility of controlling the water flow by regulating the dipole directions of the water molecules inside the nanochannels.  相似文献   
6.
液态水微观结构研究的新进展   总被引:1,自引:0,他引:1  
液态水有很多奇异特性.近年来,对液态水以何种微观结构形式存在的问题争议激烈.文章介绍了当前对水的微观结构的一些研究及其进展,讨论了液态水中的氢键模式与水的结构关系,进而用一个简化模型探讨了氢键的取向性与强弱性对水的异常行为的作用.  相似文献   
7.
本文假设夸克的快度分布是四动量守恒限制下的均匀分布,通过Monte-Carlo计算,得到了轻夸克喷注中末态强子的半单举分布以及不同快度区间内的多重数分布,讨论了它们的基本特征,并与现有的平均喷注实验数据作了比较.  相似文献   
8.
Drop Size Dependence of the Contact Angle of Nanodroplets   总被引:3,自引:0,他引:3       下载免费PDF全文
The contact angle of nanosized non-polarized argon sessile droplets on a solid substrate is studied by using molecular dynamics simulations. It is found that the drop size dependence of the contact angle is sensitive to the interaction between the liquid molecules and solid molecules. The contact angle decreases with the decreasing drop size for larger interaction between the liquid molecules and the solid substrate, and vice versa. This observation is consistent with most of the previous theoretical and experimental results.  相似文献   
9.
赖晓平  方海平  谢去病 《中国物理 C》1991,15(12):1069-1075
本文简要介绍了e+e湮没成强子喷注的物理图象,引入了随机夸克组合模型中夸克动量分数的分布,重点从数学上严格推导了这一分布的抽样方法.  相似文献   
10.
弓晓晶  方海平 《中国物理 B》2008,17(7):2739-2744
In biological water channel aquaporins (AQPs), it is believed that the bipolar orientation of the single-file water molecules inside the channel blocks proton permeation but not water transport. In this paper, the water permeation and particularly the water-selective behaviour across a single-walled carbon nanotube (SWNT) with two partial charges adjacent to the wall of the SWNT are studied by molecular dynamics simulations, in which the distance between the two partial charges is varied from 0.14 nm to 0.5 nm and the charges each have a quantity of 0.5 e. The two partial charges are used to mimic the charge distribution of the conserved non-pseudoautosomal (NPA) (asparagine/proline/alanine) regions in AQPs. Compared with across the nanochannel in a system with one +1 ε charge, the water permeation across the nanochannel is greatly enhanced in a system with two +0.5 e charges when charges are close to the nanotube, i.e. the two partial charges permit more rapid water diffusion and maintain better bipolar order along the water file when the distance between the two charges and the wall of SWNT is smaller than about 0.05 nm. The bipolar orientation of the single-file water molecules is crucial for the exclusion of proton transfer. These findings may serve as guidelines for the future nanodevices by using charges to transport water and have biological implications because membrane water channels share a similar single-file water chain and positive charged region at centre and provide an insight into why two residues are necessitated in the central region of water channel protein.  相似文献   
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