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C₆₀/十八烷酸Langmuir-Blodgett膜滑动摩擦机制的分子动力学模拟

四川大学学报. 自然科学版, 2009
采用分子动力学方法模拟研究了 C60/十八烷酸 Langmuir-Blodgett（LB）单层膜混合系统的滑动摩擦行为.模拟结果显示:与纯的十八烷酸单层 LB 膜系统相比,含有 C60分子的混合系统具有更低的剪切压.分析结果表明,在滑动过程中,C60分子被局域在由长链分子形成的空穴里,并且在整个滑动过程中发生滚动振荡行为;系统间的摩擦力主要来自于 C60分子与十八烷酸单层膜之间的作用力,而十八烷酸单层膜与十八烷酸单层膜之间的作用力很微弱.
张兆慧 +5 more
doaj

Kinetic‐Controlled Growth of Iron Chalcogenide Nanosheets Featuring Besnus Transition

Rare Metals, Volume 45, Issue 6, June 2026.
ABSTRACT Two‐dimensional (2D) Fe‐based nanosheets have sparked wide attention owing to exotic magnetism, superconductivity and topological phases. However, the synthesis of 2D FemXn (X = Te/Se/S, m, n: integer), typically in a non‐stoichiometric ratio, remains challenging because of narrow thermodynamic windows.
Hongmei Zhang +11 more
wiley +1 more source

壳聚糖/Y 分子筛复合材料的制备及其对Cu²⁺吸附研究

Gongye shui chuli, 2014
在微波辐射下制备了壳聚糖/Y分子筛复合材料（CTS/Y），考察了其对Cu2+吸附性能。结果表明：Y分子筛质量分数为6%时CTS/Y对Cu2+吸附量最大；随交联剂用量增大，树脂吸附量先增加后降低；溶液pH为5.2时对Cu2+吸附量最大。动力学研究表明吸附过程符合准二级动力学模型。
李海明
doaj

Millimeter/Nano‐Structured Metal Monolithic Catalysts: A Privileged Opportunity for Sustainable Water Purification

Rare Metals, Volume 45, Issue 6, June 2026.
ABSTRACT Cross‐scale assembly of metal (sub) nanoparticles and/or single atoms into millimeter/nanostructured metal monolithic catalysts (Min‐SMCs) is highly appealing for sustainable water cleanup, due to energy‐efficient catalyst recyclability, high infrastructure compatibility, and low metal‐releasing risks.
Jia‐Cheng E. Yang +4 more
wiley +1 more source

Gupta势结合多种算法求解Co_n（n=2～60）团簇基态的效率

四川大学学报. 自然科学版, 2009
采用Gupta势结合完全随机数方法、无规网格点随机数方法、分子动力学模拟淬火法、分子动力学模拟退火法和遗传算法分别求解了Con（n=2～60）团簇的基态几何结构与能量,通过与标准数据库结果对比分析,结果表明:在所讨论的尺寸范围内,遗传算法的求解效率最好,能找到全部的基态结构,分子动力学模拟退火法效率次之,只在个别团簇尺寸时没找到基态结构;而对于含原子数在35以下的中小团簇,随机数方法、无规网格点随机数法也都有很好的效率;同时,文中也讨论了运用不同随机数、不同网格点及不同淬火温度对结果的影响。
刘爱霞, 段海明
doaj

3D Printed High‐Strength Hydrogel for Dual Release of Cu2+ and Ag+ Ions to Enhance Bone Repair and Antibacterial Properties

Rare Metals, Volume 45, Issue 6, June 2026.
ABSTRACT Bone restoration is often hindered by the spatiotemporal dysregulation of immune and regenerative signals. Conventional bio‐inert implants, providing only passive support, fail to modulate this microenvironment, leading to infections and poor healing.
Zhizhong Sun +8 more
wiley +1 more source

分子反应动力学实验装置

, 1994
分子反应动力学实验装置待填
待填写
core

Regulating Vacancy Formation Energy and Interface Reaction to Achieve Excellent Mechanical and Tribological Properties of Cu/WS2 Composite Alloying With Sn

Rare Metals, Volume 45, Issue 6, June 2026.
ABSTRACT Achieving a simultaneous enhancement in both tribological and mechanical properties of self‐lubricating composites has long been a challenge. In this study, we designed the composition based on first‐principles calculation and fabricated a copper‐based self‐lubricating composite with excellent tribological and mechanical properties via spark ...
Zhongbo Wang +4 more
wiley +1 more source

高速精密电主轴转子动力学研究进展

Zhendong Ceshi yu Zhenduan
现代高速精密切削对电主轴动态性能的要求不断提高，结构的复杂化、运行的高速化、轴承的多样化向电主轴转子动力学设计提出了新的挑战。针对此问题，综合运用滚动轴承分析理论、流体润滑理论与转子动力学理论，建立滚动轴承电主轴、空气轴承电主轴、水润滑轴承电主轴与组合轴承电主轴转子动力学模型，并开发了计算软件。基于性能分析结果，设计了多款高速精密电主轴产品。结果表明：取得的电主轴转子动力学成果为电主轴动态设计提供了理论支撑，所设计的高速精密电主轴产品在国内高端数控装备中获得成功应用，解决了核心功能部件的国产化难题。
doaj +1 more source

Architecting a Robust Yarn‐Like CNT Framework for Structurally Resilient ZnSe Anodes in Potassium–Ion Batteries

Rare Metals, Volume 45, Issue 6, June 2026.
ABSTRACT The development of structurally stable anodes with high capacities and long cycle lives is essential for the development of potassium–ion batteries. Conversion‐type anodes have attracted considerable attention in potassium–ion batteries (PIBs) due to their high theoretical capacities.
Jeong Ho Na +7 more
wiley +1 more source

mechanical engineering and machinery
分子动力学模拟