Elastic and thermodynamic properties of vanadium nitride under pressure and the effect of metallic bonding on its hardness

By the particle-swarm optimization method, it is predicted that tetragonal P42mc, 141md, and orthorhombic Amm2 phases of vanadium nitride （VN） are energetically more stable than NaCl-type structure at 0 K. The enthalpies of the predicted three new VN phases, along with WC, NaC1, AsNi, CsCl type structures, are calculated each as a function of pressure. It is found that VN exhibits the WC-to-CsCl type phase transition at 256 GPa. For the considered seven crystal- lographic VN phases, the structures, elastic constants, bulk moduli, shear moduli, and Debye temperatures are investigated. Our calculated equilibrium structural parameters are in very good agreement with the available experimental results and the previous theoretical results for the NaC1 phase. The Debye temperatures of VN predicted three novel phases, which are all higher than those of the remaining structures. The elastic constants, thermodynamic properties, and elastic anisotropies of VN under pressure are obtained and the mechanical stabilities are analyzed in detail based on the mechanical stability criteria. Moreover, the effect of metallic bonding on the hardness of VN is also investigated, which shows that VNs in P42mc, 141md, and Amm2 phases are potential superhard phases. Further investigation on the experimental level is highly recommended to confirm our calculations presented in this paper.     

Hadronic Decays of the Spin-Singlet Heavy Quarkomium under the Principle of Maximum Conformality

The principle of maximum conformality （PMC） provides a way to eliminate the conventional renormalization scale ambiguity in a systematic way. By applying the PMC scale setting, all non-conformal terms in a perturbative series are summed into the running coupling, and one obtains a unique, scale-fixed prediction at any finite order. In this study, we make a detailed PMC analysis for the spin-singlet heavy quarkoniums decay （into light hadrons） at the next-to-leading order. After applying the PMC scale setting, the decay widths for all those cases are ahnost independent of the initial renormalization scales. The PMC scales for ηc and he decays are below 1 GeV; to achieve a confidential pQCD estimation, we adopt several low-energy running coupling models to carry out the estimation. By taking the MPT model, we obtain Г（ηc → LH） = 25.09 -4.28^＋5.52 MeV, F（ηb →LH） 14.34-0.84^＋0.92 feV, Г（hc →LH） = 0.54-0.04^＋0.06 MeV and Г（hb →LH） = 39.89-0.46^＋0.28 keV, where the errors are calculated by taking mc E[1.4OGeV, 1.60GeV] and mb C[4.50GeV, 4.70GeV]. These decay widths agree with the principle of minimum sensitivity estimations, in which the decay widths of ηc,b are also consistent with the measured ones.     

Structural stability and electrical properties of AIB2-type MnB2 under high pressureStructural stability and electrical properties of AIB2-type MnB2 under high pressureStructural stability and electrical properties of AIB2-type MnB2 under high pressureStructural stability and electrical properties of AIB2-type MnB2 under high pressure

The structural stability and electrical properties of A1B2-type MnB2 were studied based on high pressure angle- dispersive x-ray diffraction, in situ electrical resistivity measured in a diamond anvil cell （DAC） and first-principles calcu- lations under high pressure. The x-ray diffraction results show that the structure of A1B2-type MnB2 remains stable up to 42.6 GPa. From the equation of state of MnB2, we obtained a bulk modulus value of 169.9~3.7 GPa with a fixed pressure derivative of 4, which indicates that A1B2-type MnB2 is a hard and incompressible material. The electrical resistance un- dergoes a transition at about 19.3 GPa, which can be explained by a transition of manganese 3d electrons from localization to delocalization under high pressure.     

超声辐射油溶性氧化剂氧化燃料油中二苯并噻吩的研究

以油溶性过氧化羟基异丙苯(CHP)为氧化剂,Al2O3为催化剂,引入超声作用,以正辛烷为模拟油品对油中二苯并噻吩的氧化进行了研究。考察了反应温度、反应时间、催化剂用量、氧硫比、超声功率对二苯并噻吩(DBT)降解率的影响并进行了正交实验,结果表明,各因素影响程度大小依次为:反应温度>催化剂用量>超声功率>反应时间>氧硫比,在反应温度为70℃,反应时间为45 min,氧硫比为5:1,催化剂用量为0.3 g,超声功率为60 W的最佳氧化条件下,DBT的降解率达到了88.0%。     

矩函数及其在旋成面叶栅气动反命题及杂交命题中的应用

本文首先对旋转的任意旋成面上的理想可压缩流动引入一新通用函数——矩函数,并论证它的主要性质,接着将它推广到粘性气体的情况。然后,提出一个基于矩函数的旋成面叶栅气动反命题及A型杂交命题的通用解法。研究表明,矩函数对求解杂交命题(反命题是其特例)和跨声速流动具有明显的优越性。     

ICP—AES法中一种循环雾化系统及其性能的研究

本文介绍了一种外部型，旋流雾化室，带清洗器的循环雾化系统，并对其连续稳定的雾化时间，雾化效率，稳定性，记忆效应等性能进行了研究。     

一种产生理想均匀磁场的经典电流分布结构的现代发展和应用

针对经典电动力学中“正弦分布表面电流可产生理想均匀磁场”这一概念，沿着技术发展的思路，不仅追溯其历史渊源，而且简要介绍了它在磁体工程、加速器、核磁共振及医学磁共振成像等现代活跃技术领域中的新发展、新应用。     

200GeV/u的238U+238U核碰撞产生的双轻子谱(M≤4GeV/c2)的计算

在夸克味动力学的计算中,除包含u、d、s夸克及其反夸克外,还涉及粲夸克及其反夸克(cc),采用包含夸克味动力学效应的相对论性流体力学模型,计算了碰撞能量为200GeV/u的²³⁸U+²³⁸U核碰撞时形成的膨胀QGP及其在相变过程中发射的双轻子谱,轻子对的质量范围M≤4GeV/c².计算结果与CERNSPS的实验测量数据进行了定性的比较和分析,得到初步的结论:由于夸克碎块和味动力学效应,J/ψ→μ⁺+μ^－峰值被降低,导致低质量区(阈至1.35GeV/c²)谱的提高.     

机翼跨声速非定常绕流IA型反命题变域变分有限元解

以文[1]提出的二维振荡机翼含激波跨声速非定常绕流I_A型反命题变分原理为基础,构建求解I_A型反命题的有限元解法。构造了三维时空可变节点有限元来捕获自由尾涡面和翼面几何形状,跨声速流中的激波用人工密度法捕获。在远场边界上采用简化的无反射边界条件,新型非定常Kutta条件被用于处理尾缘条件。用该方法,根据翼型跨声速非定常绕流翼面压力分布求解I_A型反命题,得到了NACA64A010翼型的几何形状,计算结果令人满意。     

图G中f-因子的一个结论

在简单图的顶点度和f-因子的关系方面,本文在Tutte定理的基础上给出了图G不存在f-因子时的一个结论.