Search Results - "Radial distribution function"

Phase Transformation Characteristics of the Sn-Pb-Bi Ternary Alloy System Based on the DPMD Method.

Authors: Fan, Dexin Huang, Jiankang Dong, Chen et al.

Source: Metals (2075-4701); May2026, Vol. 16 Issue 5, p532, 26p

内聚能密度法在双团簇模型中的应.

Alternate Title: The application of cohesive energy density method in the double cluster model.

Authors: 许伯 陈季香 王天宇 et al.

Source: Journal of Atomic & Molecular Physics (1000-0364). Oct2026, Vol. 43 Issue 5, p1-8. 8p.

吡啶离子液体[HPy][BF4]与乙腈混合体系的微观结构与性质的分子模拟研究.

Alternate Title: Molecular simulation study of the microstructures and properties of pyridinium ionic liquid [HPy] [BF4] mixed with acetonitrile.

Authors: 徐建强 马赵鹏 程思 et al.

Source: Journal of Atomic & Molecular Physics (1000-0364). Aug2026, Vol. 43 Issue 4, p041005-1-041005-6. 6p.

AgY 分子筛吸附脱除模拟燃料中喹啉的性能及其模拟计算研究.

Alternate Title: Properties of adsorption quinoline from simulated fuel by AgY molecular sieve.

Authors: 崔昊阳 洪新 田宇 et al.

Source: Journal of Atomic & Molecular Physics (1000-0364). Apr2026, Vol. 43 Issue 2, p022002-1-022002-7. 7p.

温度和压力对TATB基含能材料结构与性能的影响.

Alternate Title: Effects of temperature and pressure on the structure and properties of TATB based energetic materials.

Authors: 邵晶 李晨亮 吕珂臻 et al.

Source: Journal of Atomic & Molecular Physics (1000-0364). Apr2026, Vol. 43 Issue 2, p024001-1-024001-12. 12p.

C0561-x Nix 团簇淬火过程中的结构转变研究.

Alternate Title: Structural changes of Co561-xNix alloy clusters in the process of quenching.

Authors: 龙林 夏继宏 程正富 et al.

Source: Journal of Atomic & Molecular Physics (1000-0364). Apr2026, Vol. 43 Issue 2, p022003-1-022003-6. 6p.

Normalized radial distribution as a crystal structure descriptor: applications in comparative crystal chemistry and the 'search match' problem.

Authors: Rashchenko, Sergey^1,2 (AUTHOR) rashchenko@igm.nsc.ru

Source: Journal of Applied Crystallography. Jun2026, Vol. 59 Issue 3, p901-909. 9p.

Subjects: Crystal structure, Radial distribution function, Crystallography, Mathematical crystallography

Testing Protocols for Obtaining Reliable Pair Distribution Functions from Laboratory X‐Ray Sources Using PDFgetX3.

Authors: Schertenleib, Till Schmuckler, Daniel Chen, Yucong et al.

Source: Chemistry - Methods. Sep2025, Vol. 5 Issue 9, p1-15. 15p.

Massive Fluctuations in the Derivatives of Pair Distribution Function Minima and Maxima During the Glass Transition.

Authors: Ojovan, Michael I. Lu, Anh Khoa Augustin Louzguine-Luzgin, Dmitri V.

Source: Metals (2075-4701); Aug2025, Vol. 15 Issue 8, p869, 12p

PCR 效率振荡与金纳米粒子浓度的光量子机理.

Alternate Title: Light quantum mechanism of PCR efficiency oscillation concerning gold nanoparticle concentration.

Authors: 方欢欢 陈永聪

Source: Journal of Shanghai University / Shanghai Daxue Xuebao. Aug2025, Vol. 31 Issue 4, p646-656. 11p.

A comparative study of the effect of carbon nanomaterials on the thermophysical and mechanical properties of perfluoroelastomers: molecular dynamics simulation.

Authors: Zhao, Jing Qu, Dianhong Jin, Shengbo et al.

Source: Journal of Polymer Research. May2025, Vol. 32 Issue 5, p1-17. 17p.

Subjects: Radial distribution function, Thermophysical properties, Glass transition temperature, Carbon nanotubes, Molecular dynamics

Molecular dynamics simulation study of heavy metal ions accumulation between graphene nano-channel under external electric field.

Authors: Singhal, Ishu Mishra, Ayushi Balaji, B. S.

Source: Applied Physics A: Materials Science & Processing. Jun2025, Vol. 131 Issue 6, p1-11. 11p.

Subjects: Heavy metals removal (Sewage purification), Radial distribution function, Molecular dynamics, Electric fields, Metal ions, Analysis of heavy metals

Stability Analysis of Polymer Flooding-Produced Liquid in Oilfields Based on Molecular Dynamics Simulation.

Authors: Huang, Qian Shen, Mingming Mu, Lingyan et al.

Source: Materials (1996-1944). May2025, Vol. 18 Issue 10, p2349. 21p.

Subjects: Radial distribution function, Interfacial tension, Polymer flooding (Petroleum engineering), Polymer solutions, Manufacturing processes, Molecular dynamics

Investigation of Compatibility Mechanisms and Diffusion Behavior of Polymer SBS-Modified Asphalt Compatibilizer Using Molecular Dynamics Simulation.

Authors: Li, Ning Liu, Zhenzheng Yin, Jiaqi et al.

Source: Materials (1996-1944). May2025, Vol. 18 Issue 10, p2238. 25p.

Subjects: Asphalt modifiers, Radial distribution function, Molecular dynamics, Structural dynamics, Compatibilizers

Simulation of Aging and Bonding Properties of the Matrix/Filler Interface in Particle-Reinforced Composites.

Authors: Chen, Zebin Wang, Xueren Zou, Zijie et al.

Source: Polymers (20734360). Jun2025, Vol. 17 Issue 11, p1557. 19p.

Subjects: Radial distribution function, Density matrices, Binding energy, Molecular dynamics, Interfacial bonding, Propellants

Effect of PVP and HPMC on production of indomethacin amorphous nanoparticles: experiments and molecular dynamics simulations.

Authors: Zhou, Wenhui Han, Mengmeng Zhang, Haosen et al.

Source: Drug Development & Industrial Pharmacy. Jun2025, Vol. 51 Issue 6, p622-633. 12p.

DensEst: an automated empirical potential-based means of determining the densities of disordered materials from total scattering data.

Authors: Daramola, Ayobami D Parekh, Marissa N H Loveday, John S et al.

Source: Nanotechnology. 2026, Vol. 37 Issue 9, p1-18. 18p.

Subjects: Density, Radial distribution function, Multiple scattering (Physics), Fourier transforms, Amorphous substances

Structural and related aspects with acoustic and transport properties of Hg-Na alloys at different temperatures and compositions.

Authors: Kumar, Rajesh R. Venkatesh

Source: Physics & Chemistry of Liquids. Apr2026, Vol. 64 Issue 2, p299-316. 18p.

Subjects: Diffusion coefficients, Radial distribution function, Speed of sound, Compressibility, Alloys, Physical acoustics, Transport theory

SBS 溶胀程度对其改性沥青流变性能影响 及内在机理.

Alternate Title: Influence of SBS Swelling Degree on Rheological Properties of Modified Asphalt and Its Internal Mechanism.

Authors: 张齐超 王鹏 徐涛 et al.

Source: Science Technology & Engineering. 2025, Vol. 25 Issue 20, p8674-8681. 8p.

Raman scattering and X-ray diffraction studies of Ge16Sb24Se60 alloys.

Authors: Kochubei, H. K. Stronski, A. V. Dzhagan, V. M. et al.

Source: Semiconductor Physics, Quantum Electronics & Optoelectronics; 2025, Vol. 28 Issue 3, p300-305, 6p