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自洽场理论的数值计算方法在聚合物热力学的研究中得到了广泛的应用,尤其应用在嵌段共聚物微相分离形态的预测和描述方面[1~6]。该理论方法灵活性较强,参数空间的调整范围较大,能应用的计算体系也变化多样,难以建立固定的既有软件包,现有文献也鲜见针对该理论算法并行化的研究。本文就该理论在嵌段共聚物自组装问题上的数值计算的并行算法实现进行了研究和讨论,给出了算法性能的理论分析,并进行了实验测试。测试结果显示,本文提出的并行算法可获得良好的并行加速比,并行效率较高。该算法的提出有助于推动包括针对聚合物在内的软物质理论的研究工作。 相似文献
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We report the first CUDA™ graphics-processing-unit (GPU) implementation of the polymer field-theoretic simulation framework for determining fully fluctuating expectation values of equilibrium properties for periodic and select aperiodic polymer systems. Our implementation is suitable both for self-consistent field theory (mean-field) solutions of the field equations, and for fully fluctuating simulations using the complex Langevin approach. Running on NVIDIA® Tesla T20 series GPUs, we find double-precision speedups of up to 30× compared to single-core serial calculations on a recent reference CPU, while single-precision calculations proceed up to 60× faster than those on the single CPU core. Due to intensive communications overhead, an MPI implementation running on 64 CPU cores remains two times slower than a single GPU. 相似文献
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为了克服方钢管混凝土柱中,方钢管对混凝土的约束比圆钢管相对较差的弱点,提出采用复合加劲方钢管混凝土柱。在用钢量相近的前提下,通过加劲肋提高管壁的屈曲强度,增强对混凝土的约束,从而提高承载能力。由于管壁内施工空间狭窄,加劲肋与管壁的满焊连接比较困难。提出填塞点焊的方法,分析了方钢管混凝土的屈曲变形模式,给出了焊点的具体间距和数量。 相似文献
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The structural versatility of block copolymers on the nanometer scale make them highly promising candidates for many applications in soft matter nanotechnology, including optics, electronics, and acoustics. In order to harvest the full potential of nanostructured block copolymer materials and achieve widespread use outside of academia, adaptable strategies are required to control and manipulate their spatial orientation, periodicity, connectivity, and long-range order. Over the past two decades the use of an external electric field has been well established as a viable tool to control a wide variety of structural parameters of nanostructured block copolymers on both mesoscopic and nanoscopic length scales. Covering a wide range of experimental and theoretical work, this review aims to illustrate major scientific advances of the past years, focusing in particular on the underlying physics that governs the fundamental interactions between an external electric field and block copolymer mesophases and its impact on phase behaviour and orientational order in bulk, solution, and thin films. 相似文献
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