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121.
《Journal of computational chemistry》2017,38(11):842-853
A new hardware‐agnostic contraction algorithm for tensors of arbitrary symmetry and sparsity is presented. The algorithm is implemented as a stand‐alone open‐source code libxm . This code is also integrated with general tensor library libtensor and with the Q‐Chem quantum‐chemistry package. An overview of the algorithm, its implementation, and benchmarks are presented. Similarly to other tensor software, the algorithm exploits efficient matrix multiplication libraries and assumes that tensors are stored in a block‐tensor form. The distinguishing features of the algorithm are: (i) efficient repackaging of the individual blocks into large matrices and back, which affords efficient graphics processing unit (GPU)‐enabled calculations without modifications of higher‐level codes; (ii) fully asynchronous data transfer between disk storage and fast memory. The algorithm enables canonical all‐electron coupled‐cluster and equation‐of‐motion coupled‐cluster calculations with single and double substitutions (CCSD and EOM‐CCSD) with over 1000 basis functions on a single quad‐GPU machine. We show that the algorithm exhibits predicted theoretical scaling for canonical CCSD calculations, O (N 6), irrespective of the data size on disk. © 2017 Wiley Periodicals, Inc. 相似文献
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Porous polycrystal-type microstructures built up of needle-like platelets or sheets are characteristic for a number of biological and man-made materials. Herein, we consider (i) uniform, (ii) axisymmetrical orientation distribution of linear elastic, isotropic as well as anisotropic needles. Axisymmetrical needle orientation requires derivation of the Hill tensor for arbitrarily oriented ellipsoidal inclusions with one axis tending towards infinity, embedded in a transversely isotropic matrix; therefore, Laws' integral expression of the Hill tensor is evaluated employing the theory of rational functions. For a porosity lower 0.4, the elastic properties of the polycrystal with uniformly oriented needles are quasi-identical to those of a polycrystal with solid spheres. However, as opposed to the sphere-based model, the needle-based model does not predict a percolation threshold. As regards axisymmetrical orientation distribution of needles, two effects are remarkable: Firstly, the sharper the cone of orientations the higher the anisotropy of the polycrystal. Secondly, for a given cone, the anisotropy increases with the porosity. Estimates for the polycrystal stiffness are hardly influenced by the anisotropy of the bone mineral needles. Our results also confirm the very high degree of orientation randomness of crystals building up mineral foams in bone tissues. To cite this article: A. Fritsch et al., C. R. Mecanique 334 (2006). 相似文献
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基于经典电动力学理论,从麦克斯韦方程组和麦克斯韦张量出发,推导出无工质微波推力器的推力计算方程. 应用有限元分析软件,计算了特定谐振模式下的特定圆台谐振腔在不同功率条件下的电磁场分布;根据推导出的理论计算公式,计算了不同功率条件下推力器的总推力. 计算结果表明:推力与功率成正比,而且磁场力决定着总推力的大小;圆台谐振腔消耗20–200 W电磁波功率时所产生的推力在20–250 mN范围内.
关键词:
电磁波
麦克斯韦张量 相似文献
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Rathore RK Gupta RK Agarwal S Trivedi R Tripathi RP Awasthi R 《Magnetic resonance imaging》2011,29(8):1088-1100
The study was aimed to test the feasibility of utilizing an algorithmically determinable stable fiber mass (SFM) map obtained by an unsupervised principal eigenvector field segmentation (PEVFS) for automatic delineation of 18 white matter (WM) tracts: (1) corpus callosum (CC), (2) tapetum (TP), (3) inferior longitudinal fasciculus (ILF), (4) uncinate fasciculus (UNC), (5) inferior fronto-occipital fasciculus (IFO), (6) optic pathways (OP), (7) superior longitudinal fasciculus (SLF), (8) arcuate fasciculus (AF), (9) fornix (FX), (10) cingulum (CG), (11) anterior thalamic radiation (ATR), (12) superior thalamic radiation (STR), (13) posterior thalamic radiation (PTR), (14) corticospinal/corticopontine tract (CST/CPT), (15) medial lemniscus (ML), (16) superior cerebellar peduncle (SCP), (17) middle cerebellar peduncle (MCP) and (18) inferior cerebellar peduncle (ICP). Diffusion tensor imaging (DTI)-derived fractional anisotropy (FA) and the principal eigenvector field have been used to create the SFM consisting of a collection of linear voxel structures which are grouped together by color-coding them into seven natural classes to provide PEVFS signature segments which greatly facilitate the selection of regions of interest (ROIs) for fiber tractography using just a single mouse click, as compared with a manual drawing of ROIs in the classical approach. All the 18 fiber bundles have been successfully reconstructed, in all the subjects, using the single ROIs provided by the SFM approach, with their reproducibility characterized by the fact that the ROI selection is user independent. The essentially automatic PEVFS method is robust, efficient and compares favorably with the classical ROI methods for diffusion tensor tractography (DTT). 相似文献
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