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41.
The effect of externally applied stress on the dislocation bias factor (BF) in bcc iron has been studied using a combination of atomistic static calculations and finite element integration. Three kinds of dislocations were considered, namely, a0/2〈1 1 1〉{1 1 0} screw, a0/2〈1 1 1〉{1 1 0} edge and a0〈1 0 0〉{0 0 1} edge dislocations. The computations reveal that the isotropic crystal expansion leads to an increasing or constant dislocation bias, depending on the Burgers vector and type of dislocation. On the other hand, compressive stress reduces the dislocation bias for all the dislocations studied. Variation of the dislocation BF depending on dislocation type and Burgers vector is discussed by analysing the modification of the interaction energy landscape and the capture efficiency values for the vacancy and self-interstitial atom. 相似文献
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A randomly inhomogeneous composite consisting of two, ferromagnetic and nonmagnetic (para-or diamagnetic), phases is considered.
The dependence of the effective permeability of the composite on the concentration of the ferromagnetic phase and on the applied
magnetic field is found for the case of the negligible hysteresis loop. When the hysteresis loop is appreciable, the remanent
magnetization as a function of the ferromagnet concentration is calculated. 相似文献
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47.
Let F= {C1,C2,...,C} be a family of ndisjoint convex bodies in the plane. We say that a set Vof exterior light sources illuminates F, if for every boundary point of any member of Fthere is a point in Vsuch that is visible from ,i.e. the open line segment joining and is disjoint from F. An illumination system Vis called primitive if no proper subset of Villuminates F. Let pmax(F) denote the maximum number of points forming a primitive illumination system for F, and letpmax(n) denote the minimum of F) taken over all families Fconsisting of ndisjoint convex bodies in the plane. The aim of this paper is to investigate the quantities pmax(F) and pmax(n). 相似文献
48.
Atomistic calculations are performed to investigate plastic slip in the <1?1?1>{3?2?1} system in body-centred cubic iron. Several modern interatomic potentials, developed over the last decade, are applied to compute the stacking fault γ-line energy in the {3?2?1} plane and the results are compared with the ab initio prediction. The applied potentials have shown strong deviations, but several potentials acquired good qualitative agreement with the ab initio data. Depending on the applied potential, the lowest value of the Peierls stress for the edge dislocation (ED) is 50 MPa (Ackland and Bacon from 1997) and the highest is 550 MPa (Dudarev and Derlet from 2005), while for the screw dislocation it is much higher, in the range 1–2 GPa. At finite temperature, however, the flow stress of the ED is found to decrease exponentially reaching a negligible value at about 200 K, irrespective of the applied potential. On the basis of the data obtained using Ackland–Mendelev potential from 2004, we conclude that the slip resistance of the <1?1?1>{3?2?1} system is in between the resistance of the <1?1?1>{1?1?0} and <1?1?1>{1?1?2} slip systems. 相似文献
49.
1. | The potential of the interaction of two similar atoms of a noble gas can be represented in the form of a Buckingham potential for which the principle of corresponding states is satisfied, one of the manifestations of this being the constancy of the complex C8/(R2C6) for different gases. |
2. | In accordance to the principle of corresponding states the coefficient C8 in the Buckingham potential for adsorption interactions is 6 times greater than the value adopted at the present time in the theory of physical adsorption. |
3. | In order to accelerate the calculation of the lattice sums in various calculations on the zeolites and other adsorbents it is possible to calculate the lattice sum by the usual method at reference points and write the result in the memory of a computer and in all the subsequent calculations to find the value of the lattice sum at a given point by interpolation. With an accuracy of 0.5% this method leads to an acceleration of the calculation by a factor of 2.103. |
50.
A new method of measuring surface heterogeneity of non-porous adsorbents by inverse gas chromatography (IGC) is developed. In contrast with the methods described in the literature which are based on nonlinear chromatography (thermodynamics of adsorption) this method is based on linear chromatography (kinetics of adsorption). The mass balance equation of linear chromatography with axial diffusion term and the Langmuir kinetic equation on an open (non-porous) heterogeneous surface are solved by the method of Laplace transforms. The expressions for four semi-invariants of an elution profile are obtained. These are linear combinations of the moments of the distribution of sites in residence time of adsorbed molecule with coefficients determined from elution profile of non-adsorbing gas. Four semi-invariants of elution profiles of benzene and methane on a column packed with E-glass fiber were determined experimentally at temperatures around 100 degrees C. The mean, the standard deviation of the normal distribution in adsorption energy as well as the sticking coefficient and pre-exponential factor of the Frenkel equation are determined for benzene on E-glass. A method of the specific surface determination from linear IGC is proposed. 相似文献