撰稿指南

1.凡投稿,请一律将作者的姓名、简介、所在单位、通讯地址、邮政编码、联系电话、传真、E-mail等个人信息全部放在与正文内容相独立的首页,个人信息应尽量完整、准确,以便编辑部及时与作者联系.2.因投稿量大,无论本刊采用与否,概不退稿,请作者自留底稿,投稿者勿一稿多投,若作者在投稿后一个半月仍未接到采用通知,可自行处理稿件.投稿一个半月后可与责任编辑联系查询稿件的受理情况,查询电话见版权页,     

Structural and thermodynamic properties of AlB2 compound

We employ a first-principles plane wave method with the relativistic analytic pseudopotential of Hartwigsen, Goedecker and Hutter (HGH) scheme in the frame of DFT to calculate the equilibrium lattice parameters and the thermodynamic properties of AlB₂ compound with hcp structure. The obtained lattice parameters are in good agreement with the available experimental data and those calculated by others. Through the quasi-harmonic Debye model, obtained successfully are the dependences of the normalized lattice parameters a/a₀ and c/c₀ on pressure P, the normalized primitive cell volume V/V₀ on pressure P, the variation of the thermal expansion α with pressure P and temperature T, as well as the Debye temperature \Theta_D and the heat capacity C_V on pressure P and temperature T.     

镧系金属一氢化物有效芯势研究

采用Cundari和Stevens等推导的有效芯势对镧系金属一氢化物进行了理论计算，以探讨镧系金属元素与氢的相互作用。结果表明所有镧系金属一氢化物基态时理论上是稳定的，最稳定的是SmH,最不稳定的是DyH;键长计算结果显示，基态时镧系金属一招兵买马花物有独立王国 收缩现象发生；红外振动频率理论计算值与实验结果一致；成键轨道中，金属原子轨道的贡献主要是s轨道和d轨道：从CeH至ErH(GdH)例外）随着外层电子的增加s轨道成分逐渐增大d轨道成分逐渐减小；从TmH和LuH（包括GdH)，成键轨道中金属原子轨道的贡献主要是d轨道，约为90％；约大多数镧系金属一氧化物的成键轨道中金属原子轨道f成分小于1％。     

Thermodynamical Phase Equilibrium of Iron Nitrides at Low Temperatures

The presence of α-Fe(N),γ‘-Fe4N and ε-Fe2N1-x phases and the phase equilibrium between αFe(N) and γ′-Fe4N,and γ′-Fe4N and ε-Fe2N1-x have been studied at low temperatures below 350℃ ,according to the binary Fe-N phase diagram calculated using the sublattice-compound energy model,The α-Fe(N),γ′-Fe4N and ε-Fe2N1-x phases would be thermodynamically stable at the low temperatures.Thermodynamic phase equilibrium of the iron nitrides is supproted by the experimental results,explaining the phase formation and its stability in the Fe-N system at low temperatures.     

教师课堂教学质量的定量分析

本根据学生对教师课堂教学质量的评分建立指标评估体系，得到一次量化数据。对一次量化数据进行统计分析：粗差剔除，计算标准分，得到被评估在各总体中的相对位置。在此基础上，采用二次量化模型，最后得到在全校范围内的教师得分排序。     

北京谱仪Ⅲ电磁量能器触发系统的模拟研究

利用北京谱仪Ⅲ探测器模拟和触发系统模拟程序,研究了北京谱仪Ⅲ电磁量能器的触发方案.根据物理目标设计了中性事例触发,巴巴事例判选和带电事例触发的方案,优化了各触发条件的参数,并仔细研究了对本底的排斥能力.研究了一批典型的物理道,给出了它们的触发效率,同时给出了预期的本底触发事例率.     

稀土甘氨酸咪唑配合物[RE(Gly)4(Im)(H2O)](ClO4)3的热化学研究

采用溶解-反应量热法在具有恒温环境的溶解-反应热量计内,测定了[Gd(Gly)4(Im)(H2O)](ClO4)3和[Y(Gly)4(Im)(H2O)](ClO4)3两种稀土甘氨酸咪唑配合物的标准生成焓分别为(-3 461.46 ±0.22) kJ·mol-1 和(-3 926.6±0.90) kJ·mol-1.     

Dark Energy Density in Brane World

We present a possible explanation to the tiny positive cosmological constant under the frame of AdS5 spacetime embedded by a dS4 brahe. We calculate the dark energy density by summing the zero point energy of massive scalar fields in AdS5 spacetime. Under the assumption that the radius of AdS5 spacetime is of the same magnitude as the radius of observable universe, the dark energy density in dS4 brahe is obtained, which is smaller than the observational value. The reasons are also discussed.     

热力学基本方程适用性的讨论

热力学基本方程ｄＵ＝ＴｄＳ－ｐｄＶ是否适用于不可逆过程，存在着两种不同的说法．本文认为两种说法并不矛盾，分别在各自的条件下成立，并在一定的条件下是兼容的．     

双氯芬酸钠与牛血清白蛋白结合反应的特征

在模拟人体生理条件下,采用荧光光谱和紫外 可见吸收光谱法研究了双氯芬酸钠与牛血清白蛋白的结合反应.实验结果显示,双氯芬酸钠对牛血清白蛋白有较强的荧光猝灭作用,该猝灭过程主要为静态荧光猝灭过程;二者结合常数KLB=2.167×105mol·L-1;二者的结合位置距212位色氨酸2.13nm;同时,由结合反应的热力学参数得出二者作用力主要是氢键或VanderWall's力.