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表面活性剂界面化学实验改进:实验与模拟融合的综合设计
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作者 鲁聪颖 仲非 +7 位作者 袁振宇 李帅兵 李佳瑶 刘杰文 胡贤阳 孙莉群 李睿 胡美娟 《大学化学》 CAS 2024年第3期283-293,共11页
本实验聚焦化学领域科技前沿,关注智慧教学发展,将计算化学相关理念及方法融入传统实验,对数据分析和体系可视化进行了改进。利用Packmol软件构建与实验体系相符的模型,用Gromacs软件计算分析各体系中表面活性剂的倾斜角、回转半径、径... 本实验聚焦化学领域科技前沿,关注智慧教学发展,将计算化学相关理念及方法融入传统实验,对数据分析和体系可视化进行了改进。利用Packmol软件构建与实验体系相符的模型,用Gromacs软件计算分析各体系中表面活性剂的倾斜角、回转半径、径向分布函数、氢键及溶剂可及表面积等数据,从微观层面研究吸附特性。本综合实验能够使学生从原子尺度认识表面活性剂的吸附和乳化过程的微观变化,激发学生学习兴趣,提升了学生的软件应用能力及空间想象能力,丰富物理化学实验有关界面化学实验的课程设计。 展开更多
关键词 界面化学 表面活性剂 分子动力学模拟 物理化学实验 计算化学 智慧教学
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Growth and characterization of Bi(110)/CrTe_(2) heterostructures:Exploring interplay between magnetism and topology
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作者 袁震宇 杨发枝 +4 位作者 吕佰晴 黄耀波 钱天 徐金朋 丁洪 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第2期449-455,共7页
The interplay between topology and magnetism is vital for realizing exotic quantum phenomena,significant examples including quantum anomalous Hall effect,axion insulators,and high-order topological states.These states... The interplay between topology and magnetism is vital for realizing exotic quantum phenomena,significant examples including quantum anomalous Hall effect,axion insulators,and high-order topological states.These states host great potential for future applications in high-speed and low-consumption electronic devices.Despite being extensively investigated,practical platforms are still scarce.In this work,with molecular beam epitaxy(MBE),we provide the first experimental report on high-quality Bi(110)/CrTe_(2) magnetic heterostructure.By employing in-situ high-resolution scanning tunneling microscopy,we are able to examine the interaction between magnetism and topology.There is a potential edge state at an energy level above the Fermi level,but no edge states observed near the Fermi level The absence of high-order topological corner states near EF highlights the importance of lattice matching and interface engineering in designing high-order topological states.Our study provides key insights into the interplay between two-dimensional magnetic and topological materials and offers an important dimension for engineering magnetic topological states. 展开更多
关键词 bismuth(110) chromium ditelluride(CrTe_(2)) topological states scanning tunneling microscopy(STM)
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手性晶体CoSi中拓扑费米弧的电荷不稳定性
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作者 饶志成 胡全欣 +20 位作者 田尚杰 曲青 陈聪润 高顺业 袁震宇 唐岑瑶 樊文辉 黄杰瑞 黄耀波 王利 张露 李坊森 王克东 杨槐馨 翁红明 钱天 徐金朋 蒋坤 雷和畅 孙煜杰 丁洪 《Science Bulletin》 SCIE EI CAS CSCD 2023年第2期165-172,M0003,共9页
拓扑边界态出现在拓扑非平庸态和平庸态之间的边界上,通常是无间隙的或被称为金属态.例如,拓扑绝缘体的表面态是无间隙的狄拉克态.这些金属拓扑边界态往往可以被近自由费米子很好的描述.如果拓扑边界态具有显著的电子-电子相互作用的行... 拓扑边界态出现在拓扑非平庸态和平庸态之间的边界上,通常是无间隙的或被称为金属态.例如,拓扑绝缘体的表面态是无间隙的狄拉克态.这些金属拓扑边界态往往可以被近自由费米子很好的描述.如果拓扑边界态具有显著的电子-电子相互作用的行为,无间隙的边界态会转变为有间隙的有序态,例如密度波态或超导态,这在理论上是非常有趣的,但目前还缺少相关的实验证据.本文报道了在Co Si(001)表面观察到了电子-电子相互作用驱动的、在拓扑边界态上形成的非公度电荷密度波(CDW). CDW的波矢随温度的变化而变化,这与拓扑表面费米弧随温度的演化相吻合. CDW相的取向由费米弧的手性决定,这暗示了CDW与费米弧之间存在直接的联系.该发现将促进在拓扑材料边界上寻找更多相互作用驱动的有序态,例如超导和磁性. 展开更多
关键词 电荷密度波 有序态 拓扑绝缘体 超导态 狄拉克 金属态 表面态
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Numerical simulation of hypersonic thermochemical nonequilibrium flows using nonlinear coupled constitutive relations
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作者 Shuhua ZENG zhenyu yuan +1 位作者 Wenwen ZHAO Weifang CHEN 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2023年第3期63-79,共17页
To predict aeroheating performance of hypersonic vehicles accurately in thermochemical nonequilibrium flows accompanied by rarefaction effect,a Nonlinear Coupled Constitutive Relations(NCCR)model coupled with Gupta’s... To predict aeroheating performance of hypersonic vehicles accurately in thermochemical nonequilibrium flows accompanied by rarefaction effect,a Nonlinear Coupled Constitutive Relations(NCCR)model coupled with Gupta’s chemical models and Park’s two-temperature model is firstly proposed in this paper.Three typical cases are intensively investigated for further validation,including hypersonic flows over a two-dimensional cylinder,a RAM-C II flight vehicle and a type HTV-2 flight vehicle.The results predicted by NCCR solution,such as heat flux coefficient and electron number densities,are in better agreement with those of direct simulation Monte Carlo or flight data than Navier-Stokes equations,especially in the extremely nonequilibrium regions,which indicates the potential of the newly-developed solution to capture both thermochemical and rarefied nonequilibrium effects.The comparisons between the present solver and NCCR model without a two-temperature model are also conducted to demonstrate the significance of vibrational energy source term in the accurate simulation of high-Mach flows. 展开更多
关键词 Hypersonic flow Nonlinear coupled constitutive relations Rarefied gas Thermochemical nonequilibrium effect Vibrational excitation
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