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In this study, the octahedron(111), cube(100) and dodecahedron(110) surfaces of diamond have been investigated by quantum chemistry calculations.

对比数据可以知道,在金刚石八面体{111}面上单原子能量最大,原子间所形成的共价键键能最强,所以在该面上物理化学性质最为稳定。

He population analysis proved the interaction between helium atom and V was electrovalent bond. The helium had the stronger attractive to the vanadium atom which was in lattice site.

i-He(o2)体系在四种Ti-He体系(两种八面体和两种四面体)中具有最低的能量,单点能为-6481.4287eV,Ti-He(t1)次之,单点能为-6480.3876eV,在Ti-He体系中氦原子嵌入到o2位置具有更趋稳定的结构。

The finite difference equation was built by using elemental energy balance of reinforced concrete beam with three surfaces exposing to fire based on the thermal properties of concrete. The influence of the physical or chemical reaction of free or combined water in concrete on the temperature field of concrete was considered by magnifying the specific heat of concrete.

根据三面受火钢筋混凝土梁离散体积单元的能量守恒原理,建立了有限差分平衡方程,在合理确定混凝土热工参数基础上,采用增大混凝土质量热容的方法,考虑混凝土中自由水与结合水的物理化学反应对混凝土温度场的影响。

Based on measured temperatures and analysis, it is believed that sub-millimeter plane cell combustor can overcome difficulties of the ignition and flameout due to increasing heat loss, and achieve stable combustion.

结果表明,在一定条件下,亚毫米平板式微燃烧室能克服壁面能量损失激增而带来的着火困难和火焰淬熄等问题,能够实现稳定燃烧。

Under the framework of the Vierbein representation of the local Lorentz group gravitational gauge theory, the exact expressions of the energy momentum and the power flow density and total radiation power of the exact cylindrical gravitational waves of Einstein and Rosen are given in this paper.

在Vierbein 表述的局域Lorentz群引力规范理论框架下,给出了Ein-stein-Rosen 严格柱面引力波的能量动量、功率流密度和辐射总功率的严格表达式。讨论了波的各部分之间的互作

Additionally, because the laser energy is a Gaussian curve, exist from light Center to the edge of the decline, the dot rough.

另外,因为激平的能量是矮斯弧线型的,活命从平边际到边际的递增,令网不面粗劣。

According to these experimental results, the total energy and electronic structure of SiO32 located on gibbsite (001) and (100) face with some different modes were calculated by using Dmol3 program based on DFT, and the equilibrium and growth morphology of systems were analyzed by using crystal growth habit program morphology.

根据实验结果用基于密度泛函的Dmol3程序计算SiO32以各种不同方式位于氢氧化铝(001)和(100)面时的总能量和电子结构等,用晶体生长习性计算程序Morphology分析各体系的平衡形态及生长习性。

The change rules of precipitation ratio, microstructure and particle size and the effect of oleic acid on the seed precipitation of sodium aluminate solution were investigated. According to these experimental results, the total energy and electronic structure of oleic acid locating on gibbsite (001) and face (100) with different modes were calculated, and the equilibrium and growth morphology of the systems were analyzed.

研究添加油酸杂质时,铝酸钠溶液分解过程中分解率、氢氧化铝产品的形貌和粒度的分布变化规律;计算以各种不同方式位于氢氧化铝的(001)和(100)面时油酸分子的总能量和电子结构,并分析各体系的平衡形态及生长习性。

School of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China)Abstract: The change rules of precipitation ratio, microstructure and particle size and the effect of oleic acid on the seed precipitation of sodium aluminate solution were investigated. According to these experimental results, the total energy and electronic structure of oleic acid locating on gibbsite (001) and face (100) with different modes were calculated, and the equilibrium and growth morphology of the systems were analyzed.

摘 要:研究添加油酸杂质时,铝酸钠溶液分解过程中分解率、氢氧化铝产品的形貌和粒度的分布变化规律;计算以各种不同方式位于氢氧化铝的(001)和(100)面时油酸分子的总能量和电子结构,并分析各体系的平衡形态及生长习性。

Using the Conservation Law of mass, momentum, energy in the form of Euler and equation of the thermodynamics, the interaction between the shock wave and the wall surface of the excavation roadway during the gas explosion is discussed.

文章建立了瓦斯爆炸冲击波的管道物理模型,利用Euler形式的动量、质量、能量守恒方程和热力学方程从理论上解析了瓦斯爆炸过程中爆炸冲击波与掘进巷道壁面相互作用中正反射和斜反射时波阵面上的各个参数,并给出了计算公式和简化公式。

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