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。     

Overview of finite elements simulation of temperature profile to estimate properties of materials 3D-printed by laser powder-bed fusion

Laser powder bed fusion(LPBF),like many other additive manufacturing techniques,offers flexibility in design expected to become a disruption to the manufacturing industry.The current cost of LPBF process does not favor a try-anderror way of research,which makes modelling and simulation a field of superior importance in that area of engineering.In this work,various methods used to overcome challenges in modeling at different levels of approximation of LPBF process are reviewed.Recent efforts made towards a reliable and computationally effective model to simulate LPBF process using finite element(FE)codes are presented.A combination of ray-tracing technique,the solution of the radiation transfer equation and absorption measurements has been used to establish an analytical equation,which gives a more accurate approximation of laser energy deposition in powder-substrate configuration.When this new analytical energy deposition model is used in in FE simulation,with other physics carefully set,it enables us to get reliable cooling curves and melt track morphology that agree well with experimental observations.The use of more computationally effective approximation,without explicit topological changes,allows to simulate wider geometries and longer scanning time leading to many applications in real engineering world.Different applications are herein presented including:prediction of printing quality through the simulated overlapping of consecutive melt tracks,simulation of LPBF of a mixture of materials and estimation of martensite inclusion in printed steel.     

分子动力学模拟冲击波加载下CL-20/BTF共晶的分解

本文采用Reax FF-lg分子反应性力场研究了六硝基六氮杂异伍兹烷(CL-20)和苯并三氧化呋咱(BTF)形成的共晶在冲击波加载下的反应情况。结果发现:冲击波速度为Us=9 km·s-1时,含能分子快速分解。冲击加载在不同方向上时,分解速率不同,冲击波沿X轴方向时分解最快。反应早期主要是N-NO2键的断裂,生成NO2。较大分子质量的团簇会出现在反应前期,随着反应的进行团簇数量增加。整个模拟过程中,主要产物N2的数目有较大波动,28 ps达最大值。冲击波速度对反应后期的影响较小。     

一种测试小分子迁移的新方法

针对高聚物材料中小分子的迁移现象,结合数字图像处理技术,提出了一种基于钠光和斐索等厚原理的光学干涉法.介绍了系统测试原理,针对光学系统的设计作了详细的分析与计算;通过实验测试,设计的光学系统能够采集到清晰的干涉条纹,且满足测试精度要求,由条纹间距随时间的变化测出了丙酮和乙醇小分子迁移时高聚物折射率的变化规律为:丙酮小分...     

S→N烷基重排反应的机理和溶剂化效应

采用密度泛函理论的B3LYP方法、从头算的MP2方法和自洽反应场极化连续模型(PCM),在6-311++G(2d,2p)基组水平上研究了N,N’-二甲基-S-异苯并呋喃在气相和溶液中发生S→N烷基重排反应的机理、溶剂效应和取代基效应.结果表明:该反应通过四元环机理和双位迁移机理生成产物,在气相和溶剂水中,双位迁移途径的能垒均比四元环途径低,反应主要通过双位迁移途径生成产物.在气相,苯环上发生-Cl,-NO2和-OCH3取代时,双位迁移途径的能垒在MP2/6-311++G(2d,2p)水平上比没有取代时分别低4.18,7.61,4.96kJ/mol,反应的取代基效应不明显.而在溶剂水中,苯环上发生-Cl,-NO2和-OCH3取代时,双位迁移途径的能垒在PCM-MP2/6-311++G(2d,2p)水平上比气相时分别低37.73,39.96和37.17kJ/mol,反应的溶剂化效应非常明显.理论研究结果与实验观察结果一致.     

邻溴苯基—2—恶唑啉的合成研究

改进了邻溴苯基－２－恶唑的合成方法，使得Ｎ－（β羟乙基）－２－溴苯甲酰胺在氯化亚砚作用了缩合成恶唑啉的收率从４０％左右提高到８４％，并避免了使用ＮａＨ试剂，为芳基－２－恶唑啉的合成提供一条方便，经济的路线。     

Oscillatory and Asymptotic Behavior for Second Order Quasilinear Difference Equations

1 IntroductionConsider the second order quasilinear difference equationA(g(Ay.--l)) + f(n,y.) = 0, for n E N(no), (l'l)where A is defined by Ay. = Vn+1--yn, n E N(no) = {no, no + 1,'' }, nO E N = {l, 2,'. }.The following hold throughout the paPer:(H0) (i) g: R-R is a continuous increasing fUnction with propertiessgng(y) = sgny) g(R) = R;(il) f: N(no) x R--+ R is continuous as a function of y E R;(iii) yf(n,y) > 0 for n E N and y / 0.By a solution of the equation (1.l) we mean a non…     

第七届全国分析化学年会暨第七届全国原子光谱分析学术报告会紧急通知

考虑诸多因素 ,第七届全国分析化学年会暨第七届全国原子光谱分析学术报告会商定 ,两会合并、联合召开 ,统一组织、统一领导。会期 :2 0 0 0年 1 0月　　地址 :重庆市西南师范大学收稿截止日期 :2 0 0 0年 3月 3 1日 (以邮戳为准 )论文处理 :会议筹备组将组织专家对应征论文进行评审 ,决定取舍。录用的论文将安排在会上口头报告或报展 ,并在会前出论文集。请自留底稿 ,恕不退还。收稿地址 :两个收稿地址等效。1　重庆市西南师范大学化学化工学院周光明、黄玉明同志收 ,邮编 :4 0 0 71 52　北京海淀区学院南路 76号光谱与分析期刊社孟广政同…