Structural evolution and properties of small-size thiol-protected gold nanoclusters

Ligand-protected gold clusters are widely used in biosensors and catalysis. Understanding the structural evolution of these kinds of nanoclusters is important for experimental synthesis. Herein, based on the particle swarm optimisation algorithm and density functional theory method, we use [Au₁(SH)₂]_n, [Au₂(SH)₃]_n, [Au₃(SH)₄]_n (n?=?1–3) as basic units to research the structural evolution relationships from building blocks to the final whole structures. Results show that there is a ‘line-ring-core’ structural evolution pattern in the growth process of the nanoclusters. The core structures of the ligand-protected gold clusters consist of Au₃, Au₄, Au₆ and Au₇ atoms. The electronics and optics analysis reflects that stability and optical properties gradually enhance with increase in size. These results can be used to understand the initial growth stage and design new ligand-protected nanoclusters.     

Ultrafast X‐ray imaging of laser–metal additive manufacturing processes

The high‐speed synchrotron X‐ray imaging technique was synchronized with a custom‐built laser‐melting setup to capture the dynamics of laser powder‐bed fusion processes in situ. Various significant phenomena, including vapor‐depression and melt‐pool dynamics and powder‐spatter ejection, were captured with high spatial and temporal resolution. Imaging frame rates of up to 10 MHz were used to capture the rapid changes in these highly dynamic phenomena. At the same time, relatively slow frame rates were employed to capture large‐scale changes during the process. This experimental platform will be vital in the further understanding of laser additive manufacturing processes and will be particularly helpful in guiding efforts to reduce or eliminate microstructural defects in additively manufactured parts.     

基于超二次曲面的颗粒材料缓冲性能离散元分析

自然界或工业中普遍是由非球形颗粒组成的复杂体系,与球形颗粒相比,非球形颗粒间的高离散和咬合互锁可使冲击载荷引起的能量有效衰减实现缓冲作用.基于连续函数包络的超二次曲面单元能准确地描述非球形颗粒的几何形态,并可精确地计算单元间的接触碰撞作用.本文采用离散元方法对冲击载荷作用下非球形颗粒物质的缓冲性能进行数值分析,并与圆柱体冲击的理论结果和球体冲击的实验结果进行对比验证.在此基础之上,进一步研究了筒底作用力在不同颗粒层厚度和形状等因素影响下的变化规律.计算结果表明:不同颗粒形状都存在一个临界厚度H_c.当HH_c时,缓冲率随H的增加而增加;当HH_c时,缓冲率的变化不再显著并趋于稳定值.此外,减小颗粒表面尖锐度和增加或减小圆柱形和长方形颗粒的长宽比都会提高颗粒材料的缓冲效果.     

基于带电粒子活化法开展的SGⅡ-U皮秒激光质子加速实验研究

基于带电粒子活化测谱方法在SGⅡ-U装置上开展了皮秒激光靶背鞘场机制质子加速实验研究,对靶参数进行了优化.利用带电粒子活化测谱方法测量了相同激光条件、不同Cu薄膜靶厚度情况下靶背鞘场加速质子的最高截止能量、角分布、总产额以及激光能量到质子的转化效率等关键参数.实验发现,SGⅡ-U皮秒激光靶背鞘场加速机制的最佳Cu薄膜靶厚度为10 μm,对应质子最高能量接近40 MeV,质子（>4 MeV）总产额约4×10¹²个,激光能量到质子的转化效率约2%.薄膜靶更厚或者更薄都会降低加速质子的最高截止能量;当靶厚减薄至1 μm时,皮秒激光的预脉冲开始对靶背鞘场产生显著影响,质子最高截止能量急剧下降,高能质子束斑呈现空心结构;而当靶厚增加至35 μm时,虽然质子束的能量有所降低,但是质子束斑的均匀性更好.     

系统压力对含悬浮颗粒油液的影响研究

油液在运行过程中不可避免地会产生颗粒物,影响油液的正常使用,甚至出现设备故障,因而分析含悬浮颗粒油液的动态特征,掌握在不同压力变化条件下油液及颗粒物的变化规律具有重要意义。利用两相流体理论建立了含悬浮颗粒油液的悬浮流动力学模型,通过特征线法进行了数值求解,将数值结果与实验数据比较,具有较好的一致性;根据所建模型,分析了不同系统压力条件下悬浮流中各相的脉动规律。结果表明,流场中各相参数的脉动幅值随着系统压力的增加而增大;管路始端和终端各相参数的脉动时刻分别位于1/4脉动周期(T)的奇数倍和偶数倍处,管路中段各相参数的脉动时刻则位于T/8的奇数倍处;悬浮颗粒速度会受到油液速度拖曳力作用,其变化趋势与油液速度基本一致,颗粒浓度分布与油液压力的变化趋势完全相反。     

Improved method for studying the propagation dynamics of ultrafast electron pulses based on mean-field models

We have studied the propagation dynamics of ultrafast electron pulses by using an improved mean-field model, in which the propagation of the electron pulses across the boundary of the acceleration region is explicitly considered. A large decrease in the speed spread of the electron pulses(we called "boundary kick") is observed and properly treated leading to a significant improvement in the simulation accuracy, particularly when the density of electrons is very large. We show that our method is consistent with the simulation by the N-particle method, while others can introduce factorial error.     

Effective transport of passive particles induced by chiral-active particles in microchannel

Transport of passive particles induced by chiral-active particles in microchannel is investigated by using the overdamped Langevin dynamics simulation in a two-dimensional model system. Due to the chirality of active particles and special structure of microchannel, effective ratchet transport of passive particles is achieved. Effective transport of passive particles depends on the width of microchannel(d), the density(ρ), and the angular velocity(ω) of chiral-active particles.There exist optimal parameters for d and ω at which the transport efficiency for passive particles takes its maximal value.This investigation can help us understand the necessity of active motion for living systems to maintain a number of vital processes such as materials transport inside cells and the foraging dynamics of mobile organisms.     

A possible explanation of the knee of cosmic light component spectrum from 100 TeV to 3 PeV

A mixed hydrogen and helium(H + He) spectrum with a clear steepening at ~700 TeV has been detected by the ARGO-YBJ experiments. In this paper, we demonstrate that the observed H + He spectrum can be reproduced well with a model of cosmic rays escaping from the supernova remnants(SNRs) in our Galaxy. In this model, particles are accelerated in a SNR through a non-linear diffusive shock acceleration mechanism. Three components of high energy light nuclei escaped from the SNR are considered. It should be noted that the proton spectrum observed by KASCADE can be also explained by this model given a higher acceleration efficiency.     

Effects of Combination Treatments with Astaxanthin-Loaded Microparticles and Pentoxifylline on Intracellular ROS and Radiosensitivity of J774A.1 Macrophages

Radiation-induced fibrosis (RIF) is a serious, yet incurable, complication of external beam radiation therapy for the treatment of cancer. Macrophages are key cellular actors in RIF because of their ability to produce reactive oxidants, such as reactive oxygen species (ROS) and inflammatory cytokines that, in turn, are the drivers of pro-fibrotic pathways. In a previous work, we showed that phagocytosis could be exploited to deliver the potent natural antioxidant astaxanthin specifically to macrophages. For this purpose, astaxanthin encapsulated into µm-sized protein particles could specifically target macrophages that can uptake the particles by phagocytosis. In these cells, astaxanthin microparticles significantly reduced intracellular ROS levels and the secretion of bioactive TGFβ and increased cell survival after radiation treatments. Here we show that pentoxifylline, a drug currently used for the treatment of muscle pain resulting from peripheral artery disease, amplifies the effects of astaxanthin microparticles on J774A.1 macrophages. Combination treatments with pentoxifylline and encapsulated astaxanthin might reduce the risk of RIF in cancer patients.     

装配型企业订货量分配与订单排产联合决策研究

针对供应商交货数量不确定环境下,多品种小批量装配型制造企业因生产物料不配套造成生产计划不可行甚至客户订单拖期的问题,从企业运作整体出发,考虑订货量分配决策对订单生产和交货的影响,以最小化采购成本和最小化订单排产相关成本为优化目标,在允许零部件拖期交货且供应商提供拖期价格折扣条件下,建立订货量分配与订单排产联合优化模型。针对可行解空间巨大、传统数学规划方法难以求解的问题,从增强搜索性能角度出发,设计基于自定义邻域搜索算子的局部搜索机制和基于随机与种群重构变异机制的改进粒子群算法的模型求解策略。通过应用实例对本文模型和算法进行了有效性验证和灵敏度分析,结果表明,相比于传统的分散决策方案,本文模型能够有效降低整体成本水平,引入的改进机制能够显著提升算法搜索性能,为企业供应风险下的运营决策制定提供理论参考。