Calculations相关论文
Insight into relationship between Crystal/Interface structure and properties of capacity,stability and rate capability a......
Density functional theory investigation on lattice dynamics,elastic properties and origin of vanishe
The lattice dynamics,elastic properties and the origin of vanished magnetism in equiatomic quaternary Heusler compounds ......
Co3Sn2S2has attracted a lot of attention for its multiple novel physical properties,including topological nontrivial sur......
Two-dimensional blue-phase CX(X=S,Se)monolayers with high carrier mobility and tunable photocatalyti
Photocatalytic water splitting utilizing solar energy is considered as one of the most ideal strategies for solving the ......
An effective regulation of the magnetism and interface of ferromagnetic materials is not only of great scientific signif......
Two-dimensional MgSiP_(2) with anisotropic electronic properties and good performances for Na-ion ba
Using the global particle-swarm optimization method and density functional theory,we predict a new stable two-dimensiona......
In-situ growth of CNTs encapsulating P-doped NiSe_(2) nanoparticles on carbon framework as efficient
Nickel diselenide(NiSe2) is a promising low-cost catalyst for both hydrogen evolution reaction(HER) and oxygen evolution......
Two-dimensional square-Au_(2)S monolayer:A promising thermoelectric material with ultralow lattice t
The search for new two-dimensional(2 D)harvesting materials that directly convert(waste)heat into electricity has receiv......
Single-atom catalysts(SACs) have attracted great interest due to their significant roles played in applications of envir......
Excited states in the odd-A nucleus 71Ga have been studied via the 70Zn(7Li,a2n)71Ga fusion-evaporation reaction with in......
Laboratory Simulation of Biological and Diagenetic Transformations of Pentacyclic Triterpenoids from
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A strategy to improve the electrochemical performance of Ni-rich positive electrodes:Na/F-co-doped L
Ni-rich layered lithium transition metal oxides LiNi_xMn_yCo_zO2(1-y-z≥0.6)are promising candidates for cathode materia......
Perovskite solar cells(PSC)are promising next generation photovoltaic technologies,and there is considerable interest in......
Six-dimensional potential energy surface of the dissociative chemisorption of HCl on Au（111） using n
We constructed a six-dimensional potential energy surface（PES）for the dissociative chemisorption of HCl on Au（111）using the ......
Altering polythiophene derivative substrates to explore the mechanism of heterogeneous lithium nucle
Lithium metal batteries(LMBs)possess outstanding theoretical energy density and have attracted widespread attention as t......
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ASemiempiricalFormulaforPeakEnergyCalculationsofGiantDipoleResonancesLiuJianfeng; SuZongdi (DepartmentofPhysics, Zh......
本文通过对荣华二采区10...
An experimental and thermodynamic equilibrium investigation of the Pb, Zn, Cr, Cu, Mn and Ni partiti
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主要针对空间系绳系统辅助返回的大气层再入条件进行了计算及相关影响因素的分析。首先描述了系绳辅助返回过程,再次建立了系统在......
分析了利用空间系绳系统返回载荷到地面目标点的过程中,由于展开过程中有可能的误差导致着陆点的偏差。首先给出了从系绳展开、自......
Effects of guanidinium cations on structural,optoelectronic and photovoltaic properties of perovskit
Guanidinium(GA)cations are intentionally introduced in MAPbI3 perovskite by considering its potential capability of stab......
由于渐开线轮齿形状的复杂性,现有网格划分的方法难以适应轮齿激光脉冲冲击强化的模拟过程中网格的划分,本文中提出了一种新的网格......
采用将转子与冷却气体流场实行分离的传统分析方法难以反映转子与冷却气流的热耦合作用,难以实现转子散热效率优化.提出基于流固耦......
普通城门洞形过水断面是泄洪隧洞和灌溉引水隧洞较常采用的断面形式之一,其水力计算中的正常水深求解无显函数形式的表达公式.传统......
Thiophene adsorption on the Rh(111)surfaces has been investigated by density functional theory.The results show that the......
提出了一种基于整体传递矩阵法的改进传递矩阵法.新方法将Riccati变换及奇点消除方法应用于整体传递矩阵方程,导出了耦合单元和非......
Graphene is an ideal reinforcing phase for a high-performance composite filler,which is of great theoretical and practic......
In 2019,the main research activities of Nuclear Safety and Nuclear Data Group were focused on nuclear data measurements,......
为研究简化的能力谱方法的计算精度,通过一座连续桥梁的实际算例,给出简化能力谱方法的具体应用过程.建立简化横向单墩计算模型,用......
本文介绍了有关冲击摆(单摆与复摆)的计算方法、产生加速度的原理、加速度的调整与测量方法及其误差分析.冲击摆是在工厂条件下校......
根据超声多普勒血流信号和血管壁搏动信号的不同统计特性,对采集的多普勒信号进行非均匀抽样和三次样条函数重建,从中得到血管壁搏......
在研究大型复杂器件的电磁兼容问题时,射线寻迹是关键.结合费马原理推导出了光在柱面和锥面上反射点的解析公式,同时给出了应用该......
概要介绍了滚柱导轨的特性，提出了滚柱导轨额定载荷和寿命和计算公式，通过实例为设计和评价新型的滚柱导轨提供了可靠的理论和实践依......
本文给出了较宽通带对称双工器的直接设计方法.基于同一个低通原型滤波器的两个带宽相同但中心频率不同的带通滤波器,根据本文给出......
本文证明了用Galerkin法对波导缝隙特性分析时,Fourier变换法导出的缝隙外部半空间场的矩阵元素公式与一般积分法导出的公式是等同......
针对混合系统的连续部分存在定时器时难于进行离散模型近似的问题,提出了一种结合阈值切换面划分和变步长区间计算的解决方案.应用......
随着计算流体力学(CFD)的迅速发展,对作为CFD关键技术之一的网格生成技术提出了更高的要求.传统的网格生成方法一般耗费机时较多且......
WWW上的信息极大丰富,如何从巨量的信息中有效地发现有用的信息,是亟待解决的问题,而Web网页的正确分类正是其中的核心问题.针对超......
基于有限元方法，利用商用有限元分析软件MSC．Patran／Nastran，研究修理后层合板鸟撞问题。冲击后的复合材料层合板模型采用阶梯式挖补修......
提出了基于部分参数显式化格式的缩减基快速计算方法,实现了大规模结构的快速计算。该方法通过计算结构的不同总成设计参数对结构......
测量航空发动机燃气涡轮工作叶片榫头部位应力分布的难度很大,论文提出并实施了一种通过光弹性冻结试验来实现这一目的方法。完成......
为了研究汽车动力总成悬置系统与悬架系统的振动耦合程度,建立了包含动力总成悬置子系统和悬架子系统的耦合系统数学模型,提出了一......
采用数值计算方法模拟磨削工件表面的射流冲击对流换热过程,对不同旋转速度和旋转方向下,旋转盘诱导的气旋运动和射流冲击的耦合作......
在对某液压挖掘机整机前倾稳定性系数计算过程中,得出法切阻力比λ的变化对挖掘机稳定性有很大影响。为提高挖掘机整机稳定性,减小......
建立了某四缸汽油机气缸盖、缸体、主轴承盖等零件的三维有限元组合模型。使用有限元分析软件Abaqus,在考虑各组件非线性接触关系......
依据直升机大速度前飞状态的气动环境和桨叶运动,分析了非定常气动力模型、动态失速模型、诱导速度分布、桨叶弹性变形、桨毂力合......
针对地铁网络系统通风特点,考虑地铁火灾时期网络风流的'浮力效应'和'节流效应',以风流质量流量代替体积流量,建......
通过速度超过200 km@h-1条件下客运专线24 m预应力混凝土双线整孔箱梁1:2模型试验和理论计算,分别对该条件下常用跨度预应力混凝土......
导出了随机-模糊线性回归模型参数的估计量,证明了参数的估计量为无偏估计,同时推导了参数估计量数字特征和回归方程相关系数的计......
以辐射平衡条件下一维平行平板介质层的辐射换热问题为例,介绍了求解辐射传递方程的离散坐标法,对影响离散坐标法计算精度与速度的......
