您的位置: 专家智库 > >

国家自然科学基金(50831003)

作品数:26 被引量:57H指数:5
相关作者:刘让苏侯兆阳田泽安李金富刘海蓉更多>>
相关机构:湖南大学长安大学上海交通大学更多>>
发文基金:国家自然科学基金国家重点基础研究发展计划中央高校基本科研业务费专项资金更多>>
相关领域:一般工业技术金属学及工艺理学环境科学与工程更多>>

文献类型

  • 26篇期刊文章
  • 5篇会议论文

领域

  • 21篇一般工业技术
  • 18篇金属学及工艺
  • 10篇理学
  • 1篇化学工程
  • 1篇轻工技术与工...
  • 1篇环境科学与工...

主题

  • 7篇动力学
  • 7篇凝固
  • 7篇凝固过程
  • 7篇分子
  • 7篇分子动力学
  • 6篇动力学模拟
  • 6篇分子动力学模...
  • 6篇MOLECU...
  • 5篇液态
  • 5篇团簇
  • 5篇合金
  • 5篇LIQUID
  • 4篇非晶
  • 3篇铁基
  • 3篇AL-NI
  • 3篇BULK_M...
  • 2篇形成能
  • 2篇液态金属
  • 2篇原子
  • 2篇原子团簇

机构

  • 9篇湖南大学
  • 6篇长安大学
  • 4篇赣南医学院
  • 4篇上海交通大学
  • 3篇山东大学
  • 1篇贵州大学

作者

  • 7篇刘让苏
  • 6篇田泽安
  • 5篇刘海蓉
  • 5篇侯兆阳
  • 4篇周丽丽
  • 4篇李金富
  • 3篇莫云飞
  • 3篇梁永超
  • 2篇王晋国
  • 2篇张雅楠
  • 2篇彭平
  • 2篇周群益
  • 2篇边秀房
  • 2篇郑乃超
  • 2篇秦敬玉
  • 2篇孔令体
  • 2篇王有骏
  • 2篇王真
  • 1篇唐兴伟
  • 1篇林涛

传媒

  • 6篇物理学报
  • 6篇Transa...
  • 4篇Scienc...
  • 3篇Journa...
  • 1篇热加工工艺
  • 1篇原子与分子物...
  • 1篇计算物理
  • 1篇Chines...
  • 1篇中国有色金属...
  • 1篇Scienc...
  • 1篇Scienc...
  • 1篇第七届中国功...

年份

  • 2篇2022
  • 1篇2015
  • 7篇2013
  • 7篇2012
  • 7篇2011
  • 7篇2010
26 条 记 录,以下是 1-10
排序方式:
冷速对液态Ge凝固过程中微观结构的影响
采用Stillinger-Weber势对液态金属Ge在3个不同冷速下的凝固过程进行了分子动力学模拟,并运用对相关函数、键角分布函数、扩散系数、HA键型指数等分析方法对液态Ge凝固过程中的微观结构演变进行了分析。结果表明,...
朱长银谢泉高廷红
关键词:凝固过程分子动力学模拟
文献传递
Rolling-induced microstructure change in Zr_(65)Al_(7.5)Ni_(10)Cu_(12.5)Ag_5 bulk metallic glass被引量:3
2011年
The microstructures and free-volume evolutions of as-cast and pre-annealed Zr65Al7.5Ni10Cu12.5Ag5 bulk metallic glasses during rolling deformation have been investigated. No phase transformation is detected in the as-cast/rolled specimen. However,the structural stability of the glass against plastic deformation is worse after pre-annealing,indicated by nanocrystallization in preannealed/rolled specimens with large deformation degrees. Moreover,with increasing deformation degree,the free-volume content in a pre-annealed/rolled specimen increases at a lower average rate than that in an as-cast/rolled specimen.
ZHOU Wei LU BinFeng KONG LingTi LI JinFu ZHOU YaoHe
关键词:大块金属玻璃自由体积塑性变形
凝固条件对液态Ca7Mg3合金纳米结构演变影响的模拟研究
采用分子动力学方法对两种不同冷却速率对液态CaMg合金快速凝固过程中纳米结构演变的影响进行了模拟研究。采用Honeycutt-Andersen键型指数法、原子团类型指数法、可视化分析等方法对凝固过程中微观团簇结构演变进行...
周丽丽刘让苏田泽安刘全慧
关键词:凝固过程分子动力学模拟
文献传递
Liquid fragility of the unsaturated polyester resin
2013年
Curing behaviors of the unsaturated polyester resin (UPR) containing 1-1.8 wt% methyl ethyl ketone peroxide (MEKP) initia- tor are investigated. The viscosity, gelation and vitrification transition of the UPR-MEKP systems are examined using the ro- tating viscometer and differential scanning calorimetry (DSC). A liquid fragility parameter, Me, defined as the viscosity varia- tion rate of the liquids towards the curing temperature is presented. It is found that Mc has a good negative relation with the glass transition temperature (Tg) in the systems. Mc can be used for predicting the stability of the cured amorphous systems. The relationship between the liquid and cured thermoset polymer systems is studied from both the thermodynamic and kinetic point of view.
ZHAO XiaoLinBIAN XiuFangYANG ChunChengWANG XinZhu
关键词:VISCOSITY
Influences of Similar Elements on Glass Forming Ability and Magnetic Properties in Al-Ni-La Amorphous Alloy
2010年
Similar element substitution has been applied for improving glass forming ability (GFA) in AI86NigLa5 amor- phous alloy. The effects of La-Ce and Ni-Co pairs on the GFA, magnetic properties and hardness of Al-Ni-La alloy were investigated by using X-ray diffraction (XRD), transmission electron microscopy (TEM), differential scanning calorimetry (DSC), magnetometer and hardness-tester. The results show the GFA of the samples in the order of Al86(Ni0.5Co0.5)9(La0.5Ce0.5)5〈 A186Ni9Las〈A186Ni9(La0.5Ce0.5)5, implying that similar element substitution has a limited enhancing effect on the GFA of the present Al-Ni-La alloy. In addition, the measured samples display a diamagnetic behavior at room temperature. The variations of diamagnetic behavior as well as the microhardness of the samples are strongly dependent on the microstructure, i.e., the amounts of the icosahedral structure and precipitates, after the similar element substitution in the Al-Ni-La alloy.
Guihua Li Weimin Wang Xiufang Bian Li Wang Jiteng Zhang Rui Li Tao Huang
Simulation study on non-linear effects of initial melt temperatures on microstructures during solidification process of liquid Mg_7Zn_3 alloy被引量:3
2013年
The non-linear effects of different initial melt temperatures on the microstructure evolution during the solidification process of liquid Mg7Zn3 alloys were investigated by molecular dynamics simulation, The microstructure transformation mechanisms were analyzed by several methods. The system was found to be solidified into amorphous structures from different initial melt temperatures at the same cooling rate of 1×10^12 K/s, and the 1551 bond-type and the icosahedron basic cluster (12 0 12 0 ) played a key role in the microstructure transition. Different initial melt temperatures had significant effects on the final microstructures. These effects only can be clearly observed below the glass transition temperature Tg; and these effects are non-linearly related to the initial melt temperatures, and fluctuated in a certain range. However, the changes of the average atomic energy of the systems are still linearly related with the initial melt temperatures, namely, the higher the initial melt temperature is, the more stable the amorphous structure is and the stronger the glass forming ability will be.
刘让苏梁永超刘海蓉郑乃超莫云飞侯兆阳周丽丽彭平
Correlation between microstructure and thermal dilation behavior of amorphous Fe-Co-Zr-Mo-W-B alloys
2010年
The microstructures and thermal properties of Fe61Co9-xZr8Mo5WxB17 (x=0 and 2) formed under different vacuum conditions were investigated by scanning electron microscopy(SEM), X-ray diffractometry(XRD), transmission electron microscopy(TEM), and conventional dilatometry(DIL). The variation of the non-monotonic effects of tungsten content and vacuum conditions on the glass forming ability(GFA) of Fe-based alloys can be drawn in a schematic diagram. The higher the GFA of alloys, the higher the difference between the thermal expansion coefficients of glassy state and crystalline state(-α), which can be described by the free volume model during dilatometric measurements. Under low and high vacuum conditions, the viscosity and microhardness are improved and the fragility of the Fe-based alloys are decreased by adding tungsten.
张集滕王伟民李桂华马海健秦敬玉边秀房
关键词:热膨胀行为铁基合金钼合金X射线衍射仪
Ti_(3)Al合金凝固过程晶核形成及演变过程的模拟研究被引量:4
2022年
采用分子动力学方法对Ti_(3)Al合金的形核机理进行了模拟研究,采用团簇类型指数法(CTIM),对凝固过程不同尺度的原子团簇结构进行了识别和表征,深入研究了临界晶核的形成和长大过程.结果表明,凝固过程体系包含了数万种不同类型的原子团簇结构,但其中22种团簇结构类型对结晶形核过程起关键性作用.在晶核的形成和长大过程,类二十面体(ICO)原子团簇、类BCC原子团簇和缺陷FCC及缺陷HCP原子团簇在3个特征温度点T_(1)(1110 K),T_(2)(1085 K)和T_(3)(1010 K)时达到数量上的饱和,并根据数量和空间分布随温度的变化,得到了它们在形核和长大过程相互竞争的关系.跟踪平行孪生晶粒形成和长大的过程发现,临界晶核是由FCC原子构成的单相结构,并未观察到亚稳BCC相优先形核的过程;平行孪生结构是由FCC单相晶核在沿密排面逐层生长过程中形成的.结果还表明,CTIM相比于其他微观结构表示方法,能更为准确地揭示凝固过程微观结构的转变特征.
李昌侯兆阳牛媛高全华王真王晋国邹鹏飞
关键词:TIAL合金形核机理分子动力学模拟原子团簇
Formation and evolution characteristics of bcc phase during isothermal relaxation processes of supercooled liquid and amorphous metal Pb被引量:2
2011年
The formation and evolution characteristics of bcc phase during the isothermal relaxation processes for supercooled-liquid and amorphous Pb were investigated by molecular dynamics simulation and cluster-type index method (CTIM). It is found that during the relaxation process, the formation and evolution of bcc phase are closely dependent on the initial temperature and structure. During the simulation time scale, when the initial temperature is in the range of supercooled liquid region, the bcc phase can be formed and kept a long time; while it is in the range of glassy region, the bcc phase can be formed at first and then partially transformed into hcp phase; when it decreases to the lower one, the hcp and fcc phases can be directly transformed from the glassy structure without undergoing the metastable bcc phase. The Ostwald's "step rule" is impactful during the isothermal relaxation process of the supercooled and glassy Pb, and the metastable bcc phase plays an important role in the precursor of crystallization.
周丽丽刘让苏田泽安刘海蓉侯兆阳朱轩民刘全慧
Icosahedral medium-range order formed in Mg_(70)Zn_(30) metallic glass: a larger-scale molecular dynamics simulation被引量:1
2011年
A larger-scale Mg70Zn30 alloy system including 100000 atoms has been simulated by using the molecular dynamics method to investigate the icosahedral medium-range order (IMRO) formed in the MgToZn30 metallic glass. It is found that the simulated pair distribution function of Mg70Zn30 metallic glass is in good agreement with the experimental results. The glass transition temperature Tg is near 450 K under the cooling rate of 1×10^12 K/s. The icosahedral local structures play a critical role in the formation of metallic glass, and they are the dominant local configurations in the Mg70Zn30 metallic glass. The IMRO in the Mg70Zn30 metallic glass is characterized by certain types of extended icosahedral clusters combined by intercross-sharing atoms in the form of chains or dendrites. The size distributions of these IMRO clusters present a magic number sequence of 19, 23, 25, 27, 29, 31, 33, 35, 37, 39,..., and the magic clusters can be classified into three types according to their compactness. The IMRO clusters grow rapidly in a low-dimensional way with cooling, but this growth is limited near Tg.
侯兆阳刘让苏田泽安王晋国
共4页<1234>
聚类工具0