方法研究

Atomic parameter-artificial neural network method has been applied to study the regularities of the mutual solubility, the consolute temperatures, and the composition of monotectic points of molten salt-liquid metal systems.

应用原子参数（阴阳离子半径，价电子数，表征金属元素价电子云密度的参数）-人工神经网络方法研究了熔盐-液体金属系的互溶度，会溶温度及偏晶点成分的规律。

The different methods of controlling wake flow in engineering are introduced according to concept of absolutely and convectively unstable wake.

本文利用数值方法研究了静止圆柱和振动圆柱在不同流动条件下绕流流场的非定常性、不稳定性和非线性特征。

The results were found as following:(1) The damage value increases more significantly with the increase in PVF before 30% PVF, beyond which the increasing trend becomes gradually gentle.(2)Keeping the interphase strength and PVF unchanged, the damage increase with increasing moisture concentration in a nearly linear relation.(3)The results generated from the FCC model with consideration of the interphase debonding are in good agreement with the experimental data, meanwhile, the FCC model is also capable of predicting the critical load for the damaged and the undamaged dental composite subject too the 3-point flexural test.4 A 3D-fmite element analysis has been successfully exploited to examine the mechanical behavior of the restoration-tooth structure under the polymerization shrinkage and water sorption. It was found:(1) The low stiffness of the composite has the effect to limit the displacement occurring in the remaining tooth tissue. For lower interphase, the cuspal flexures are litter higher. The high interphase modulus acts as a \'shielding effect\' for stress transfer.

得到如下结论：(1)相同的吸湿性，在30％PVF(颗粒体积分数：Particle volume fraction，PVF)前增加PVF，层间脱胶损伤值显著增加；此后损伤值的增加趋于平缓；(2)保持层间强度和PVF不变，层间脱胶损伤随吸湿率的增加而接近线性增加；(3)FCC(面心立方：Face-centred cubic，FCC)模型层间脱胶损伤的预测结果和实验数据基本吻合；同时此模型可以用于预测牙齿填充材料三点弯曲实验的临界载荷。4、建立理想牙齿修复结构，利用有限元方法研究了同时考虑聚合收缩和吸湿膨胀耦合作用下的填充修复材料和粘结界面层材料性能对牙齿修复结构的力学行为的影响，得到如下结论：(1)低弹性模量的牙齿填充修复材料能限制天然牙组织的位移，但天然牙组织的位移与粘结界面层的弹性模量无关。

The phase structural change withtemperature of solid helium is also studied using MD simulation at a givendensity 1.6g/cm3.Radial distribution functioncalculation demonstratesthat its second peak will disappear beginning in the region from 2000K to3040K,showing a solid-liquid transition or a decrystallization occurs.

文中进一步用分子动力学方法研究了在固定ρ＝1.60g/cm3下固氦相结构随温度的变化，发现其径向分布函数的第二个峰在2000K到3040K区间及其以后逐步消失，意味着此时发生了一次固-液相变或非晶化过程。

The influence of dopants Ti and Ni on the dehydrogenation properties of NaAlH4 was studied by means of first principles.

利用第一性原理方法研究了掺杂元素Ti， Ni对NaAlH4放氢性能的影响。

The principles, destress results and technical parameters for destress blasting in the side wall of roadway are studied in the field test, numeric simulation and simulation test with equivalent materials.

用现场试验、数值模拟、相似模拟综合方法研究巷帮松裂爆破卸压维护软岩巷道的原理、卸压效果和技术参数。

Theoretical studies on the halogen-bond in complexes of furan and dihalogen molecules have been carried out at the level of DFT and MP2.

用DFT和MP2方法研究了呋喃-XY (XY＝ClF， BrF， BrCl)体系分子间的相互作用，讨论了两种卤键类型 Y—X…O和Y—X…π的作用。

By using AM1 semiempirical quantum calculation method, the structures and electronic properties of N-methyl- pyrrolo[3,4]C60 and N-methyl-2-(2'-dimethylaniline- substituted dithienylen-thylene)- pyrrolo[3,4]C60 have been studied.

利用半经验AM1量子化学方法研究了N－甲基－吡咯烷并[3，4]C60及其噻吩取代衍生物的几何结构。

Dipolar cycloaddition reaction is the most useful reaction in fundmental theory of organic chemistry and organic synthesis.

1，3-偶极环加成反应是有机化学基础理论及合成方法研究中起重要作用的一个反应。

Dipolar cycloaddition reaction is the most useful reaction in fundmental theory of organic chemistry and organic synthesis .

1，3-偶极环加成反应(1，3-dipolar cycloaddition reaction)是在有机化学基础理论及合成方法研究中起重要作用的一个反应。

Cynanchum Lingtai apricot production in the average weight 65 grams, the brightly-colored fruit, juicy rich, sweet-sour taste, sweet from the nucleolus, when the late Qing Dynasty famous Shaanxi, Gansu provinces, the Qing imperial court Tongzhi tribute for years.

灵台生产的牛心杏平均单果重65克，果实色泽鲜艳，汁多味浓，甜酸适口，离核仁甜，清末时就驰名陕、甘两省，清同治年间曾为朝廷贡品。

Chenopodium album,Solanum nigrum, and Amaranthus retroflexus were very susceptible to the herbicides. Polygonum persicaria and Abutilon theophrasti were relatively less susceptible to the herbicides, and Lycopersicon esculentum was not susceptible to it. The relationship between reduction rates of weed biomass and PPM values of weed leaves 2,4, and 6 days after treatment was established.

供试的6种杂草对该混剂的敏感性存在显著差异：红心藜Chenopodium album、龙葵Solanum nigrum和反枝苋Amaranthus retroflexus对该混剂最敏感，ED90值分别为47.65、71.67和29.17g/hm2；春蓼Polygonum persicaria和苘麻Abutilon theophrasti敏感，ED90值分别为96.91、114.20g/hm2；而番茄不敏感。