全文获取类型
收费全文 | 42篇 |
免费 | 0篇 |
国内免费 | 13篇 |
专业分类
化学 | 21篇 |
数学 | 27篇 |
物理学 | 7篇 |
出版年
2017年 | 1篇 |
2013年 | 7篇 |
2012年 | 1篇 |
2011年 | 1篇 |
2010年 | 1篇 |
2009年 | 1篇 |
2006年 | 1篇 |
2004年 | 2篇 |
2003年 | 4篇 |
2002年 | 2篇 |
2001年 | 1篇 |
2000年 | 1篇 |
1997年 | 1篇 |
1996年 | 1篇 |
1993年 | 3篇 |
1992年 | 1篇 |
1991年 | 3篇 |
1989年 | 2篇 |
1985年 | 1篇 |
1984年 | 3篇 |
1978年 | 1篇 |
1977年 | 3篇 |
1976年 | 1篇 |
1975年 | 1篇 |
1972年 | 3篇 |
1971年 | 1篇 |
1969年 | 2篇 |
1968年 | 2篇 |
1948年 | 2篇 |
1946年 | 1篇 |
排序方式: 共有55条查询结果,搜索用时 31 毫秒
11.
Non-equilibrium molecular dynamics (NEMD) simulations are used to study the generation of heat fluxes in systems with spatially varying shear rates. We show that the kinetic temperature, when used in Fourier's law of heat conduction, does not correctly account for the heat flux, and that the normal temperature as described by Rugh (1997, Phys. Rev. Lett., 78, 772), should be used. Only in the absence of normal temperature gradients can heat fluxes due to strain rate coupling be correctly calculated. 相似文献
12.
采用自行创制的成核晶化隔离法将Ni^2 引入层状双金属复合氢氧化物(LDHs)的层板,首次合成得到了层板含Ni^2 的三元金属铜镍铬的碳酸根型LDHs(CuNiCr—LDHs),通过X射线衍射(XRD)、红外光谱(FT-IR)、透射电镜(TEM)、热重及微商热重分析(TODTG)、等离子电感偶合元素分析(ICP)和激光粒度分析等手段对产物的晶体结构特征进行了研究,结果表明:当反应Cu^2 /Ni^2 /Cr^3 投料摩尔比介于1:2:1~1:3:1之间,晶化温度为180℃和晶化时间大于4h时,利用成核晶化隔离法可以合成得到晶型规整的CuNiCr—LDHs;研究同时发现,层板引入Ni^2 后可以削弱Cu^2 的Jahn-Tellex效应对层板对称性的影响,提高了LDHs的晶型完整性和结构稳定性。 相似文献
13.
14.
JIAO Qing ze ZHAO Yun LI Xiao dan EVANS D. G. DUAN Xue * Key Laboratory of Science Technology of Controllable Chemical Reactions Ministry of Education Beijing University of Chemical Technology Beijing P. R. China 《高等学校化学研究》2002,18(2)
IntroductionGlycolethersareimportantindustrialderivativesofepoxides .Polyethylene glycolethylethersandpolypropyleneglycolethylethersaretwoimportantseriesofproducts .Glycolethersaregoodsolventsduetothepresenceof—O—and—OH groups.Asare sult ,theyarewidelyuse… 相似文献
15.
16.
The Oscillating Water Column Wave-energy Device 总被引:1,自引:0,他引:1
An expression is obtained for the efficiency of wave-energyabsorption of a float connected to a spring-dashpot system onthe top of a column of fluid bounded by two closely-spaced verticalparallel plates or a narrow tube immersed under waves. The methodmakes extensive use of the approximate solution using matchedasymptotic expansions obtained by Newman (1974) to the correspondingproblem when the float-spring-dashpot system was absent. Itis shown that for plates of equal length the maximum possibleefficiency is 50%, and that for the three-dimensional case itis theoretically possible to capture the energy in a wave whosecrest length is greater than the tube diameter. 相似文献
17.
采用密度泛函理论(DFT)中的B3PW91方法研究了过渡金属Pd8簇催化氢化乙炔的反应机理. 研究表明: H2进入Pd8簇后解离成H原子, 并且只有当H原子吸附在Pd8簇表面上时, 催化氢化反应才能发生. 过渡金属Pd8簇催化氢化乙炔的反应机理的研究证实该催化反应从两种反应物出发经过两条不同的反应途径完成催化氢化反应, 两种反应物分别为吸附在Pd8簇上的乙炔(Pd8(2H)-CH=CH)和其同分异构体亚乙烯基吸附物(Pd8(2H)-C=CH2). 两条途径均为多步连续的加氢反应, 不同之处在于从Pd8(2H)-CH=CH出发的为单一路径, 解离后的H原子分步依次加成到吸附在Pd8簇上的乙炔中的C原子上, 直到反应完成生成乙烷. 而从Pd8(2H)-C=CH2出发的路径较为复杂, 分别经过两个不同的过渡态和中间体生成次乙基中间体, 该过程相对应的反应位垒相差约12.552 kJ·mol-1, 说明这两个过渡态同时存在, 无先后次序. 然后继续加成H原子直到生成乙烷完成反应. 同时, 两条路径分别形成一系列具有应用价值的C2有机化合物中间体, 其中一些中间体通过分子内质子转移相互转化, 使得原本独立的两条反应路径联系在一起, 成为网状路径. 相似文献
18.
We describe two strategies for tackling the equilibrium statistical mechanics of inhomogeneous colloid—polymer mixtures treated in terms of the simple Asakura—Oosawa—Vrij (AO) model, in which colloid—colloid and colloid—polymer interactions are hard-sphere like, whereas the polymer—polymer interaction is zero (perfectly interpenetrating polymer spheres). The first strategy is based upon integrating out the degrees of freedom of the polymer spheres to obtain an effective one-component Hamiltonian for the colloids. This is particularly effective for small size ratios q = σp/σc < 0.1547, where σp and σc are the diameters of colloid and polymer spheres, respectively, since in this regime three and higher body contributions to the effective Hamiltonian vanish. In the second strategy we employ a geometry based density functional theory (DFT), specifically designed for the AO model but based on Rosenfeld's fundamental measure DFT for additive mixtures of hard-spheres, that treats colloid and polymer on an equal footing and which accounts for the fluid-fluid phase separation occurring for larger values of q. Using the DFT we investigate the properties of the ‘free’ interface between colloid-rich (liquid) and colloid-poor (gas) fluid phases and adsorption phenomena at the interface between the AO mixture and a hard-wall, for a wide range of size ratios. In particular, for q = 0.6 to 1.0, we find rich interfacial phenomena, including oscillatory density profiles at the free interface and novel wetting and layering phase transitions at the hard-wall-colloid gas interface. Where appropriate we compare our DFT results with those from computer simulations and experiment. We outline several very recent extensions of the basic AO model for which geometry based DFTs have also been developed. These include a model in which the effective polymer sphere—polymer sphere interaction is treated as a repulsive step function rather than ideal and one in which the depletant is a fluid of infinitely thin rods (needles) with orientational degrees of freedom rather than (non-interacting) polymer spheres. We comment on the differences between results obtained from these extensions and those of the basic AO model. Whilst the interfacial properties of the AO model share features in common with the those of simple (atomic) fluids, with the polymer reservoir density replacing the inverse temperature, we emphasize that there are important differences which are related to the many-body character of the effective one-component Hamiltonian. 相似文献
19.
We use non-equilibrium molecular dynamics simulations to study the flow of a micropolar fluid and to test an extended Navier-Stokes theory (ENS) for such fluids. The angular streaming velocity (which is of course missing in the classical Navier-Stokes theory) and the translational streaming velocity are found to be in good agreement with the predictions of ENS theory. Besides, owing to molecular rotation, the translational streaming velocity profile is shown to deviate from the classical parabolic profile. Finally, temperature profiles calculated using three different expressions (a kinetic translational, a kinetic rotational and a recently derived configurational expression) are found to be in excellent agreement, demonstrating that the equipartition principle still holds in this non-equilibrium system. No deviation from the classical quartic temperature profile is observed. 相似文献
20.
The shear viscosity of the Weeks—Chandler—Andersen (WCA) fluid at the Lennard-Jones triple point has been calculated over a wide range of strain rates using the transient time correlation function (TTCF) formalism. It has been demonstrated that these calculations can be carried out at arbitrarily low strain rates with the precision of the Green—Kubo calculations. At high strain rates, the calculated data agree within the error bars with more precise data acquired using the computationally less demanding steady state (SS) non-equilibrium molecular dynamics (NEMD) method. The linear variation of viscosity with the square root of the strain rate is discussed. 相似文献