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国家自然科学基金(91126001)

作品数:18 被引量:30H指数:4
相关作者:孙光爱陈波周晓松汪小琳龙兴贵更多>>
相关机构:中国工程物理研究院东北大学四川大学更多>>
发文基金:国家自然科学基金中国工程物理研究院科学技术发展基金中国博士后科学基金更多>>
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18 条 记 录,以下是 1-10
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中子辐照产生的初级离位原子能谱的蒙特卡罗研究被引量:1
2012年
建立了1套中子辐照产生的初级离位原子能谱的计算方法。利用MCNP的DBCN外围卡参数的合理设置实现在计算输出文件中输出所有抽样中子的历史跟踪记录,对源粒子与靶物质作用位置、作用类型、转移能量进行统计,得到初级离位原子的能量和空间分布等信息。该方法较好地解决了蒙特卡罗计算中随机数的随机性问题和随机抽样计算的效率问题,计算效率高,结果的统计性较好,可信度高。同时可获得初级离位原子的能量分布和空间分布三维图,对于评价材料的辐照性能和后继的辐照缺陷演化研究具有重要意义。
周韦刘永康马纪敏邓勇军
关键词:辐照中子蒙特卡罗
Formation of diamond powders from melamine under high pressure and high temperature被引量:1
2013年
High pressure pyrolysis of melamine has been attracting great interest recently, due to it being considered as a suitable precursor to realize the g-C3N4 and even superhard C3N4. In this work, we studied the detailed pyrolysis behavior of melamine at 22 GPa. Melamine was stable at 800℃, and decomposed to diamond in the form of powder at 1500-2000 ℃ under this pressure condition. At 2000℃, the pure cubic diamond powders with 0.1 0.5 μm grain size were obtained. The diamond particles exhibited euhedral forms and dispersed to each other, we proposed that these novel features were caused by the presence of liquid N2 and NH3 during diamond formation. The high pressure pyrolysis of melamine may provide a new means of producing micrometer-sized diamond powders.
房雷鸣陈喜平H. OhfujiT. Irifune孙光爱陈波彭述明
关键词:MELAMINEDECOMPOSITION
锆自辐射损伤的分子动力学模拟与缺陷判定研究
2020年
采用分子动力学方法,模拟了300 K温度时由能量10 keV到50 keV的初级反冲原子(primary knock-on atom, PKA)在密排六方(hexagonal close packed, HCP)结构锆晶体内自辐射造成的级联碰撞. 采用离位原子判定法、自间隙原子(self-interstitial atom, SIA)判定法以及Wigner-Seitz(WS)原胞分割法等三种方法对级联碰撞过程中产生的点缺陷进行了判定. 通过对比不同方法获得的点缺陷变化趋势、统计涨落、鲁棒性等特征,发现采用WS分割方法获得的点缺陷数更适合用于描述锆晶体中级联碰撞的辐射损伤. 此外还研究了自间隙原子的基本扩散特征,结果发现其更倾向于一种二维(2D)扩散.
钟睿付宝勤崔节超侯氢
关键词:分子动力学
Fabrication processing effects on the microstructure and morphology of erbium film
2012年
The effect of substrate temperature on the microstructure and the morphology of erbium film are systematically investigated using X-ray diffraction (XRD) and scanning electron microscopy (SEM). All the erbium films are grown by electron-beam vapor deposition (EBVD). A novel preparation method for observing the cross-section morphology of the erbium film is developed. The films deposited at 200 ℃ have (002) preferred orientation, and the films deposited at 450 ℃ have a mixed (100) and (101) texture, due to the different growth mechanisms of surface energy minimization and recrystallization, respectively. The peak positions and the full widths at half maximum (FWHMs) of erbium diffraction lines (100), (002), and (101) shift towards higher angles and decrease with the increasing substrate temperature in a largely uniform manner, respectively. Also, the lattice constants decrease with increasing temperature. The transition in the film stresses can be used to interpret the changes in peak positions, FWHMs, and lattice constants. The stress is compressive for the as-growth fihns, and is counteracted by the tensile stress formed during the process of temperature cooling to room temperature. The tensile stress mainly originates from the difference in the coefficients of thermal expansion of the substrate-film couple.
申华海彭述明龙兴贵周晓松杨莉刘锦华孙庆强祖小涛
低能中子在锆中产生的辐照损伤的计算机模拟研究被引量:4
2013年
以GEANT4为基础采用蒙特卡罗方法对能量为1MeV的中子在锆材料中的输运过程进行了模拟分析.首先计算得出:反冲核的能量主要分布在1keV和15keV之间,中子和靶核发生两次弹性碰撞的平均空间距离为29.47mm.由于中子和靶核在发生连续两次弹性碰撞过程中产生的两个反冲核能量较低,它们的空间距离又比较大,由此可以推测出:由初级离位原子产生的后续级联碰撞可以看做是一系列独立的子级联碰撞过程,同时也计算了中子在靶材的不同深度区域内产生的反冲核数目和平均能量.其次,利用蒙卡方法计算得到的结果,采用分子动力学方法,分别计算了五种不同能量下的初级离位原子产生的级联碰撞情况,给出了初级离位原子的能量与其产生的次级离位原子数目之间的关系以及不同能量下的初级离位原子产生的损伤区域范围等情况,通过蒙特卡罗方法和分子动力学方法的结合,给出了能量为1MeV的中子在锆材料中产生的初级辐照损伤分布图像.
崔振国勾成俊侯氢毛莉周晓松
关键词:辐照损伤蒙特卡洛模拟分子动力学
Temperature dependence of migration features of self-interstitials in zirconium
2017年
Molecular dynamics simulations are conducted to study self-interstitial migration in zirconium. By defining crystal lattice points where more than one atom is present in corresponding Wigner-Seitz cells, as the locations of self-interstitial atoms (LSIAs), three types of events are identified as LSIA migrations:the jump remaining in one 〈1120〉 direction (ILJ), the jump from one 〈1120〉 to another 〈1120〉 direction in the same basal plane (OLJ), and the jump from one basal plane to an adjacent basal plane (OPJ). The occurrence frequencies of the three types are calculated. ILJ is found to be a dominant event in a temperature range from 300 K to 1200 K, but the occurrence frequencies of OLJ and OPJ increase with temperature increasing. The total occurrence frequency of all jump types has a good linear dependence on temperature. Moreover, the migration trajectories of LSIAs in the hcp basal-plane is not what is observed if only conventional one-or two-dimensional migrations exists; rather, they exhibit the feature that we call fraction-dimensional. Using Monte Carlo simulations, the potential kinetic effects of fraction-dimensional migration, which is measured by the average number of lattice sites visited per jump event (denoted by nSPE), are analysed. The significant differences between the nSPE value of the fraction-dimensional migration and those of conventional one-and two-dimensional migrations suggest that the conventional diffusion coefficient cannot give an accurate description of the underlying kinetics of SIAs in Zr. This conclusion could be generally meaningful for the cases where the low-dimensional migration of defects are observed.
钟睿侯氢马超琼付宝勤汪俊
Characterization of zirconium thin films deposited by pulsed laser deposition
2014年
Zirconium (Zr) thin films deposited on Si (100) by pulsed laser deposition (PLD) at different pulse repetition rates are investigated. The deposited Zr films exhibit a polycrystalline structure, and the X-ray diffraction (XRD) patterns of the films show the α Zr phase. Due to the morphology variation of the target and the laser-plasma interaction, the deposition rate significantly decreases from 0.0431 A/pulse at 2 Hz to 0.0189A/pulse at 20 Hz. The presence of droplets on the surface of the deposited film, which is one of the main disadvantages of the PLD, is observed at various pulse repetition rates. Statistical results show that the dimension and the density of the droplets increase with an increasing pulse repetition rate. We find that the source of droplets is the liquid layer formed under the target surface. The dense nanoparticles covered on the film surface are observed through atomic force microscopy (AFM). The root mean square (RMS) roughness caused by valleys and islands on the film surface initially increases and then decreases with the increasing pulse repetition rate. The results of our investigation will be useful to optimize the synthesis conditions of the Zr films.
刘伟万竟平蔡吴鹏梁建华周晓松龙兴贵
关键词:DROPLET
原位中子衍射研究两相NiTi合金的微力学相互作用和相变机理被引量:4
2012年
NiTi合金的形状记忆效应与其微观结构特征密切相关,中子衍射技术可以在力学加载过程中原位观察块体NiTi合金的相变、晶间应变以及孪晶再取向等演化特征.结合两相NiTi合金宏观应力-应变曲线呈现的四种阶段性变形特征,利用原位中子衍射技术对其变形过程中的微观结构演化进行了分析.奥氏体初始体积份额约22%,在低应变硬化阶段,晶面(110)B2和(002)B19′的应变分别突然减小和增大表明出现了应力诱发马氏体相变,奥氏体体积份额迅速减小,产生了011Ⅱ型孪晶;同时初始马氏体也开始发生再取向,随着应变量的增加,开始出现新的{20ī}型马氏体孪晶,这种孪晶引起的应变卸载时不能回复.在高应变硬化阶段孪晶变形起主导作用,衍射峰半高宽变化较小;而在应变硬化饱和阶段则以滑移机制为主,大量位错的产生使衍射峰半高宽显著增加.
孙光爱王虹汪小琳陈波常丽丽刘耀光盛六四Woo WKang MY
关键词:形状记忆合金中子衍射相变
锆-氢体系的同位素效应研究进展被引量:2
2016年
金属锆在氚工艺以及核技术领域被广泛应用,在氚工艺技术中因其贮氢平衡压低,贮氢容量大常被用作氢同位素气体的贮存介质,而在核技术领域作为核反应堆功能材料使用时会吸收氢或氘,但其与氢同位素气体反应的热力学及动力学特性存在差异,反应生成的锆氢化物、锆氘化物及其氚化物的晶体结构及其力学、电学、热学等物理性质也不同,相同原子比的锆氢化物的晶格常数较之锆氘化物的大,但锆氘化物的杨氏模量及剪切模量却比锆氢化物的大。本文就锆-氢体系同位素效应的研究进展进行了综述,主要关注了锆与氢同位素气体反应的热力学及动力学的同位素效应,以及生成的锆氢化物、锆氘化物及其氚化物的晶体结构及力学、电学、热学等物理性质方面体现的同位素效应。
陈淼彭述明周晓松龙兴贵傅依备
关键词:同位素效应
铀的结构相变及力学性能的第一性原理计算被引量:1
2013年
基于密度泛函理论,分别计算了a,y铀的品格常数、平衡态体积、体弹模量及其导数等,与实验和其他第一性原理计算结果符合较好:并根据焓.压强曲线得到了两相的相变压强-111GPa.通过体心立方结构理想拉伸强度的计算,分析其在极端加载条件下的结构行为.另外,计算了小应变情况下U.Nb(6.25at.%)的能量一应变关系,发现对应于剪切模量c’的应变会使得该结构的能量降低,揭示了该结构的力学不稳定性.
刘本琼谢雷段晓溪孙光爱陈波宋建明刘耀光汪小琳
关键词:相变
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