Utilization of inverse approach in the design of materials over nano‐ to macro‐scale

In the light of recent developments in computer technology, a promising and efficient way to design a material with a desired property would be to solve the inverse problem: use a physical property to predict structure. Here, we discuss the basic idea and mathematical foundation of the inverse approach, and proposed strategies for its utilization in the design of materials over nano‐ to macro‐scales. At the nano‐scale, analyzed strategies include scanning of a high‐dimensional space of chemical compounds for those compounds that have a targeted property, and identification of correlations in large databases of materials. However, unlike utilization of inverse approach at nano‐scale where full structural information ‐ atoms and their positions‐ is linked to targeted properties, at the meso‐ and macro‐scale, only partial structural information, manifested via structural motifs or representative volume elements, is available. We discuss the role of partial structural information in the inverse approach to the design of materials at those scales. Risks and limitations of the inverse approach are analyzed and dependence of the approach on factors such as structure parametrization, approximations in theoretical models, and feedback from structural characterization, is addressed.

     

装备使用与保障研究数据的生成方法研究

装备使用与保障数据是开展装备科学研究的重要依据,而由于管理不善、保密、样本过少等原因常常导致相关数据缺少应有的积累,无法满足实际研究的需要。为了克服这一困难,文章提出通过算法生成数据予以解决。首先根据数据的应用特性,将装备使用与保障数据看作简单数据、规律已知数据和规律未知数据三类,分别制定生成策略。对于简单数据和规律已知数据,通过已有的商用软件或简单的自定义方法生成;对于规律未知数据,采用模式注入或特性继承的方法生成。在某大型装备管理综合信息系统的设计开发中,对这些生成方法进行了工程实践,结果表明了方法的正确性和可行性。     

双色场诱导气体产生相干可控的四次谐波

利用钛宝石飞秒激光器输出的基频脉冲ω及其倍频脉冲2ω所构成双色场作用空气, 实验中检测到了中心波长处于真空紫外波段的四阶谐波. 在气体未发生电离的情况下, 四次谐波强度对双色场的能力依赖关系显示其产生是参量过程2ω+ω+ω→4ω的贡献. 当气体发生电离, 四次谐波强度与双色场相对相位有关, 可通过双色场相干控制. 实验研究了四次谐波对双色场相位的依赖性以及与太赫兹波的关联性, 其结果与数值模拟结果相符, 分析发现当气体发生电离时四次谐波的产生过程存在太赫兹辐射Ω_THz的参与, 是参量过程2ω+2ω±Ω_THz→4ω和2ω+ω+ω→4ω的共同贡献.     

纳米氧化锌中三光子吸收与倍频效应致光辐射特性

为研究强光激励下纳米氧化锌发光机制,以气相传输法制备的冠状样品为对象,室温下以1 100nm与1 150 nm脉冲激光以及350 nm氙灯对其进行激励,观测光致发光谱.根据光强关系和强场与物质作用的三阶微扰理论,认为1 100,1 150 nm激光激励下的样品的紫外与可见光波段的辐射机理分别归因于样品中三光子吸收和二次谐波效应.同时,基于激子非弹性碰撞复合机制,对紫外辐射的红移现象进行了分析.     

利用双色啁啾激光场产生超短的单个阿秒脉冲

数值研究了氦原子在两束啁啾激光场形成的组合场驱动下所发射高次谐波的特点.计算结果表明,当两束啁啾激光场的形式为δi(t)=-βiωit2/T (i=1,2)并且啁啾参数分别为β1=0.3和β2=0.6时,高次谐波谱的平台区域能得到很大的扩展,随后通过激光场强度以及相位的优化,谐波截至能量延伸到了812eV.最后通过叠加谐波次数从160次到210次,210次到260次,260次到310次,可获得一系列脉宽为33as的单个阿秒脉冲.     

谐振子势阱囚禁玻色气体的玻色-爱因斯坦凝聚

基于Thomas-Fermi半经典近似方法研究了谐振子势阱约束下任意维理想玻色气体的玻色-爱因斯坦凝聚(BEC)．导出了玻色气体的BEC转变温度、基态粒子占据比例、内能和热容量等物理量的解析表达式,讨论了空间维度和谐振子势阱的影响．以二维和三维玻色系统为例,数值计算了上述热力学量,并与解析结果进行了对比,二者获得了较好的吻合．     

高效凹面聚光集热海水蒸馏淡化及供暖混合装置

在便携的高效凹面聚光集热装置基础上,通过综合利用所获得的太阳热辐射能实现海水淡化蒸馏、温差发电以及温箱供暖,从而达到太阳能高效综合利用的目的.为岛礁等特殊环境下的海水淡化与供暖需求提供一种途径.     

Identifying mode shapes and modal frequencies by operational modal analysis in the presence of harmonic excitation

Operational modal analysis techniques allow us to extract the modal properties of structures based on their response to non-measured stationary white noise, i.e., by considering only the system response to operational excitations. In this paper we outline a procedure to deduce modal parameters from operational response measurements. In particular, we discuss a novel approach to analyze operational responses due to unknown harmonic excitation in addition to noise. Structural eigenfrequencies and modal damping are computed using a modified least-squares complex exponential method. Once the poles of the system are identified, mode shapes are obtained by post-processing. The robustness and accuracy of the approach are illustrated by performing tests on a plate structure.     

一种全四边形网格生成方法——改进模板法

首先对全四边形单元网格自动剖分算法中的模板法进行了探讨，并提出了相应的改进方法。在此基础上提出了一种新的全四边形单元网格自动生成方法。该方法允许在两个方向上存在网格疏密过渡，并可以提高单元的密度要求自动计算亲单元每条边上的结点数，有效地对局部实施加密处理。