A numerical study on extinction behaviour of laminar micro-diffusion flames

We conducted a numerical study on the fluid dynamic, thermal and chemical structures of laminar methane–air micro flames established under quiescent atmospheric conditions. The micro flame is defined as a flame on the order of one millimetre or less established at the exit of a vertically-aligned straight tube. The numerical model consists of convective–diffusive heat and mass transport with a one-step, irreversible, exothermic reaction with selected kinetics constants validated for near-extinction analyses. Calculations conducted under the burner rim temperature 300 K and the adiabatic burner wall showed that there is the minimum burner diameter for the micro flame to exist. The Damköhler number (the ratio of the diffusive transport time to the chemical time) was used to explain why a flame with a height of less than a few hundred microns is not able to exist under the adiabatic burner wall condition. We also conducted scaling analysis to explain the difference in extinction characteristics caused by different burner wall conditions. This study also discussed the difference in governing mechanisms between micro flames and microgravity flames, both of which exhibit similar spherical flame shape.     

Jamming and crystallization in athermal polymer packings

Dense packings of chains of hard spheres possess characteristic features that do not have a counterpart in corresponding packings of monomeric spheres especially near the maximally random jammed (MRJ) state. From the modelling perspective the additional requirement that spheres keep their connectivity while maximizing the occupied volume fraction imposes severe constraints on generation algorithms of dense chain configurations. The extremely sluggish dynamics imposed by the uncrossability of chains precludes the use of deterministic or stochastic dynamics to generate all but dilute polymer packings. As a viable alternative, especially tailored chain-connectivity-altering Monte Carlo (MC) algorithms have been developed that bypass this kinetic hindrance and have actually been able to produce packings of hard-sphere chains in a volume fraction range spanning from infinite dilution up to the MRJ state. Such very dense athermal polymer packings share a number of structural features with packings of monomeric hard spheres, but also display unique characteristics due to the constraints imposed by connectivity. We give an overview of the most relevant results of our recent modeling work on packings of freely-jointed chains of tangent hard spheres about the MRJ state, local structure, chain dimensions and their scaling with density, topological constraints in the form of entanglements and knots, contact network at jamming, and entropically driven crystallization.     

Rates of diffusion controlled reactions for one-dimensionally-moving species in 3D space

ABSTRACT

The asymmetry in diffusion dimensionality between self-interstitial atom (SIA) clusters and vacancies is a fundamental feature of irradiation damage in crystals, leading to a defect buildup imbalance that manifests itself as measurable dimensional and mechanical property changes. It is well known that, while vacancies and mobile vacancy clusters diffuse in a three-dimensional (3D) fashion, SIA clusters perform one-dimensional motion along mostly rectilinear trajectories. Despite this, a complete set of kinetic coefficients, including coagulation reaction rates and sink strengths, does not exist for 1D-moving objects. In this paper, we derive analytical expressions for these coefficients from continuum diffusion theory particularised to 1D motion. Moreover, we carry out kinetic Monte Carlo simulations of numerical replicas of the geometry of diffusing particles and sinks to validate the proposed solutions. Our simulations, which are conducted entirely independently from the analytical derivations, reveal excellent agreement with the proposed expressions, adding confidence to their validity. We compare the 1D and 3D cases and discuss their relevance for kinetic codes for damage accumulation calculations.     

超声调制漫射光子自相关的Monte Carlo模拟

本文首次用Monte Carlo方法研究了超声调制生物介质中漫射光子的时间自相关性质,讨论了超声参量、运动参量和散射参量对自相关函数的影响.正常生物组织和病变生物组织的自相关函数有明显的差别,超声调制自相关函数为光学医学诊断提供一种新参考.     

Global optimization by random perturbation of the gradient method with a fixed parameter

The paper deals with the global minimization of a differentiable cost function mapping a ball of a finite dimensional Euclidean space into an interval of real numbers. It is established that a suitable random perturbation of the gradient method with a fixed parameter generates a bounded minimizing sequence and leads to a global minimum: the perturbation avoids convergence to local minima. The stated results suggest an algorithm for the numerical approximation of global minima: experiments are performed for the problem of fitting a sum of exponentials to discrete data and to a nonlinear system involving about 5000 variables. The effect of the random perturbation is examined by comparison with the purely deterministic gradient method.     

用概率断裂力学方法预测管状接头的疲劳寿命

本文研究了Ｔ型管状接头在面内和面外弯曲循环载荷作用下的疲劳强度问题，通过将材料常数和初始裂纹尺寸作为随机变量，采用ＭｏｎＣａｒｌｏ模拟方法对疲劳寿命进行了统计分析．同时，对计算结果进行了线性回归，并与实验结果作了比较。     

均匀磁场下碳离子笔形束的剂量变化分析及位置修正方法

分析外加均匀磁场对于碳离子笔形束剂量分布的影响,并考虑修正这种影响,为磁共振成像引导碳离子放射治疗的临床应用提供指导。本文利用蒙特卡罗方法模拟计算了不同能量碳离子笔形束在不同强度磁场下的剂量分布情况,发现垂直于碳离子束入射方向的均匀磁场对于碳离子笔形束射程缩短的影响很小,磁场对碳离子束的主要影响是引起束流横向偏转,特别是碳离子束布拉格峰位置的横向侧移。横向侧移程度与碳离子束的能量和磁场强度相关,根据模拟结果,得到了一个计算碳离子束布拉格峰在磁场中相对横向偏转的方程,并提出一种校正外加磁场引起的碳离子束布拉格峰横移的角度修正方法。这些结果可用于指导磁共振图像引导碳离子放射治疗计划系统的研发。     

质子辐照硼硅酸盐玻璃盖片的物理效应分析

作为航天器电源系统的重要组成部分,太阳电池需要更高的转换效率和可靠性以及更长的使用寿命。通过在太阳电池表面覆盖抗辐照玻璃盖片,可以增强太阳电池对粒子辐射的防护,延长太阳电池的服役寿命,使航天器获得可靠的能源供应。硼硅酸盐玻璃就是一种理想的太阳电池玻璃盖片材料。采用蒙特卡罗方法,结合SRIM软件模拟研究质子辐照硼硅酸盐玻璃的损伤物理机理。基于粒子与物质相互作用的理论以及基本公式,通过分析不同入射能量的质子在硼硅酸盐玻璃中的阻止本领、电离能损、位移能损、空位的产生情况,对辐照损伤的物理机制进行研究。结果表明：能量为30～120 keV的质子辐照损伤主要发生在硼硅酸盐玻璃表面;质子沉积、空位分布等均为Bragg峰型分布;电离能损是能量损失的主要部分,随入射能量的增加而增大,导致电子的电离和激发;位移能损在玻璃内部随能量降低而增大,导致硼、氧和硅等空位缺陷的产生;电离效应和缺陷的产生是硼硅酸盐玻璃色心形成的重要原因。     

241Am-Be中子参考辐射的蒙特卡罗模拟研究

研究用于校准场所中子剂量监测仪表的241Am-Be中子参考辐射场计量特性。采用蒙特卡罗方法模拟了空气自由中子参考辐射(FRNR),GB/T 14055规定的最小尺寸中子参考辐射(SRNR)和实际中子参考辐射(ARNR)中不同检验点处中子周围剂量当量率、散射中子占比和能谱分布特征。研究结果表明,空气对FRNR中的剂量率和能谱分布影响小,近似为理想中子参考辐射;采用5%含硼聚乙烯作屏蔽的最小尺寸SRNR可减少热中子,降低散射中子占比,影锥法不适用于小尺寸中子参考辐射中对散射中子的修正;ARNR中的散射中子更少、占比更低,影锥法所得散射中子占比与理论值基本一致。     

Statistical Physics Approach to Liquid Crystals: Dynamics of Mobile Potts Model Leading to Smectic Phase,Phase Transition by Wang–Landau Method

We study the nature of the smectic–isotropic phase transition using a mobile 6-state Potts model. Each Potts state represents a molecular orientation. We show that with the choice of an appropriate microscopic Hamiltonian describing the interaction between individual molecules modeled by a mobile 6-state Potts spins, we observe the smectic phase dynamically formed when we cool the molecules from the isotropic phase to low temperatures (T). In order to elucidate the order of the transition and the low-T properties, we use the high-performance Wang–Landau flat energy-histogram technique. We show that the smectic phase goes to the liquid (isotropic) phase by melting/evaporating layer by layer starting from the film surface with increasing T. At a higher T, the whole remaining layers become orientationally disordered. The melting of each layer is characterized by a peak of the specific heat. Such a succession of partial transitions cannot be seen by the Metropolis algorithm. The successive layer meltings/evaporations at low T are found to have a first-order character by examining the energy histogram. These results are in agreement with experiments performed on some smectic liquid crystals.