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利用LPIC++程序模拟了超短超强脉冲与稀薄等离子体相互作用产生的背向受激Raman谱。结果证明:在极端相对论条件下,背向受激Raman谱不再是通常所指的弱耦合模式,而进入强耦合模式。频谱加宽,并融合在一起;各谱峰之间的频移不再以等离子体波的频率为间隔,而是小于电子等离子体波的频率。模拟了各种条件下的背向散射Raman谱特性,结果显示:随着密度的提高,背向受激Raman谱的强度也将提高,这与理论结果符合得较好。 相似文献
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实验研究了超短超强激光与7μm薄膜Cu靶的相互作用中靶背法线方向产生的质子和碳离子的能量分布。实验中采用CR39和Thomson磁谱仪相结合测量质子和碳离子能谱。实验中观察到了质子和C4+、C3+、C2+和C1+离子。实验结果表明:离子沿着靶背法线方向发射,离子在一定能量处出现截断;质子的产额远远高于碳离子产额;C4+、C3+、C2+和C1+最大截止能之比约为4:3:2:1。 相似文献
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在正则系综统下,温度为2000 K时,利用基于密度泛函理论的第一性原理分子动力学计算方法对Al与赤铁矿α-Fe2O3的铝热反应进行了研究. 模拟得出Fe–O键的数量随着时间的增加而减小,Al–O键和Fe–Fe键的数量随时间的增加而增大;同时Fe离子总的电荷量随时间的增加而减小,而Al离子总的电荷量随时间的增加而增大. 模拟结果表明,在Al/Fe2O3铝热反应中发生了氧化还原反应,Al被氧化,Fe离子被还原;在界面处生成Al–O键,Fe–O键发生断裂;氧化还原反应完成需约3 ps.
关键词:
铝热反应
密度泛函理论
分子动力学
正则系综 相似文献
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Phase transition and chemical decomposition of liquid carbon dioxide and nitrogen mixture under extreme conditions 下载免费PDF全文
Thermodynamic and chemical properties of liquid carbon dioxide and nitrogen(CO_(2~–)N_2) mixture under the conditions of extremely high densities and temperatures are studied by using quantum molecular dynamic(QMD) simulations based on density functional theory including dispersion corrections(DFT-D). We present equilibrium properties of liquid mixture for 112 separate density and temperature points, by selecting densities ranging from ρ = 1.80 g/cm~3 to 3.40 g/cm~3 and temperatures from T = 500 K to 8000 K. In the range of our study, the liquid CO_(2~–)N_2 mixture undergoes a continuous transition from molecular to atomic fluid state and liquid polymerization inferred from pair correlation functions(PCFs)and the distribution of various molecular components. The insulator–metal transition is demonstrated by means of the electronic density of states(DOS). 相似文献
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实验研究了超强激光与平面薄膜Cu靶的相互作用中,在靶背法线方向产生的离子能量分布.实验中采用固体核径迹探测器CR39和Thomson谱仪相结合测量离子能谱.实验中同时测量到了质子和C4+、C3+、C2+和C1+离子.实验结果表明:离子沿着靶背法线方向发射,离子在一定能量处出现截断;在固体核径迹探测器CR39上可以看出碳离子信号比质子信号弱,质子的产额远高于碳离子,质子对碳离子有屏蔽作用;在相同发次中C4+、C3+、C2+和C1+离子随着荷质比的增大,相应离子的截止能增加. 相似文献
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Size effect in the melting and freezing behaviors of Al/Ti core-shell nanoparticles using molecular dynamics simulations 下载免费PDF全文
The thermal stability of Ti@Al core/shell nanoparticles with different sizes and components during continuous heating and cooling processes is examined by a molecular dynamics simulation with embedded atom method. The thermodynamic properties and structure evolution during continuous heating and cooling processes are investigated through the characterization of the potential energy, specific heat distribution, and radial distribution function(RDF). Our study shows that, for fixed Ti core size, the melting temperature decreases with Al shell thickness, while the crystallizing temperature and glass formation temperature increase with Al shell thickness. Diverse melting mechanisms have been discovered for different Ti core sized with fixed Al shell thickness nanoparticles. The melting temperature increases with the Ti core radius. The trend agrees well with the theoretical phase diagram of bimetallic nanoparticles. In addition, the glass phase formation of Al–Ti nanoparticles for the fast cooling rate of 12 K/ps, and the crystal phase formation for the low cooling rate of 0.15 K/ps. The icosahedron structure is formed in the frozen 4366 Al–Ti atoms for the low cooling rate. 相似文献