In this paper,the reaction of NH 3 molecule and ground state NH radical is studied by the “direct dynamics” method of variational transition state theory,which uses the information on electronic structure energy and energy derivatives calculated ab initio along the minium energy path.
利用变分过渡态理论的“直接动力学”方法对ＮＨ３分子和基态ＮＨ（Ｘ３∑）自由基的反应进行了理论研究；利用从头算计算得到反应体系的电子结构能和能量梯度等信息，计算了２００～２５００Ｋ温度范围该反应的速率常数和穿透系数，分析了影响隧道效应和反应速率常数的一些因素。
Furthermore, the dynamical properties along the reaction path and CVT (canonical variational theory) rate constants with correction of tunneling effect are investigated by reaction path Hamiltonian theory and variational transition state theory.
用从头算ＵＨＦ／６－３１Ｇ方法计算ＣＨ３＋ＯＨ→ＣＨ２＋Ｈ２Ｏ的反应途径，在此基础上计算沿反应途径的动态学性质及正则变分过渡态理论的速率常数，同时进行隧道效应的校正。
Microstructure Evolution in a Nickel-base Single Crystal Superalloy with [110] Orientation during Creep Process
[110]取向镍基单晶合金在蠕变过程中的组织演变
Effect on Precipitation Phases of 7B04 Aluminum Alloy during Creep Process
7B04铝合金蠕变过程中析出相的影响因素
EXPERIMENTAL STUDY OF VARIATION LAW OF SATURATED BROKEN MUDSTONE POROSITY DURING CREEP PROCESS
饱和破碎泥岩蠕变过程中孔隙变化规律的试验研究
Mechanical Properties Analysis and Creep Simulation for Soft Rock of Shapotou Dam Foundation;
沙坡头坝基软岩的力学特性分析与蠕变过程数值模拟
Research on Creep Damage Model of P91 Steel;
P91钢蠕变损伤全过程模型的研究
The Creep Model of Intercalated Clay Layers and Change of Their Microstructure during Creep
泥化夹层蠕变全过程的模型及微结构的变化
Numerical Simulation of Creep and Fatigue Damage for Interface Moving Graded Materials;
移动界面异质材料的蠕变疲劳及损伤过程模拟
Creep behavior of a Fe-based bulk amorphous alloy using nanoindentation
铁基块体非晶合金在纳米压痕过程中的蠕变行为研究
testing method for bending creep of high performance ceramics
工程陶瓷制品弯曲蠕变试验方法
The results prove that Continuum Damage Mechanics model can describe the cumulation and development of damage more accurately.
分析结果表明，连续损伤模型能更合理地描述材料蠕变损伤的累积发展过程。
VARIABLE PARAMETERS-BASED CREEP DAMAGE CONSTITUTIVE MODEL AND ITS ENGINEERING APPLICATION
变参数蠕变损伤本构模型及其工程应用
Creep Rupture Time Predication of a Superheater Wall in a Circulating Fluidized Bed Boiler
循环流化床锅炉炉内屏式过热器蠕变破裂预测
In-service Carbon Steel Superheater Header of the Actuarial Method of Creep Life
在役碳钢过热器集箱蠕变寿命的精算方法
Numerical Simulation of the Soft Soil Indoor Creep Test and Practical Engineering Application;
软土室内蠕变试验数值模拟及工程应用
Parameter Identification of Non-stationary Creep Equation of Rock;
岩石粘弹性非定常蠕变方程的参数辨识
Effect of Load History on 316L Steel Fatigue Creep Behavior
载荷历程效应对316L钢疲劳蠕变行为的影响
Study of the System Dynamics Model of Internet Worm Propagation;
网络蠕虫传播过程的系统动力学模型研究
According to this theory, ones can set up an empirical equation between deformation and time for predicting the time of failure of a landslide.
根据这一理论,人们可以建立早期滑动的唯象蠕变方程来预测滑坡。
