Results 21 to 30 of about 4,472,853 (164)
Rare Metals, Volume 45, Issue 7, July 2026.ABSTRACT Germanium is a critical dispersed metal, yet sustainable recovery from dilute solutions is limited by sorbents that are difficult to regenerate and operate in continuous mode. Here, we fabricate a regenerable 3D‐printed hydrogel monolith (3D‐ATO‐GS) by integrating hydroxyl‐rich amorphous TiO2 nanoparticles into an alginate/gelatin scaffold ...
Wenhuan Guo +6 more
wiley +1 more source
The Structural Origin of the Amorphous‐to‐Crystalline Transformation in Cu‐Zr Based Amorphous Alloy
Rare Metals, Volume 45, Issue 5, May 2026.ABSTRACT Amorphous alloys (AAs) possess a metastable structure from a thermodynamic perspective and tend to crystallize under external conditions, which in turn alters their material properties. To gain an in‐depth understanding of their crystallization mechanism, this study employed in situ spherical aberration‐corrected transmission electron ...
Yajie Huang +4 more
wiley +1 more source
Rare Metals, Volume 45, Issue 5, May 2026.ABSTRACT This study demonstrates a new strategy for modifying the boron content to address stress‐relief cracking (SRC) in the 7CrMoVTiB10.10 alloy. First, coarse‐grained heat‐affected zone (CGHAZ) specimens with different boron contents were prepared via simulated welding thermal cycles.
Dongdong Zhang +3 more
wiley +1 more source
Rare Metals, Volume 45, Issue 5, May 2026.ABSTRACT Refractory complex‐concentrated alloys (RCCAs) show exceptional promise for extreme‐environment applications, yet intermediate‐temperature instability (0.4–0.6 Tm) and plasticity degradation severely constrain their development. This work provides an effective strategy to transform the inherent intermediate‐temperature instability into a ...
Jing‐Zhi He +8 more
wiley +1 more source
四川大学学报. 自然科学版, 1998 用分子动力学模拟方法，重新确定了液氮的范德瓦尔参数．结合光谱数据，建立了适用于计算机模拟的Ｎ２的位能函数，函数形式采用量子力学力场．所得的范德瓦尔参数σ等于３．７９６，ε等于０．２４９８ｋＪ／ｍｏｌ．用得到的Ｎ２的位能函数对２１６个Ｎ２分子在三个不同温度下进行分子动力学模拟，计算了液氮的密度和蒸发热，计算结果和实验值的误差大约分别为１％和２％．
任译 +5 more
doaj
Zhejiang Daxue xuebao. Lixue ban, 2011 采用分子动力学(MD)方法研究了高分子单链受限在2块不可穿透的平行板之间且平行板内有均匀分布的障碍物时的扩散行为.模拟结果发现：分子链的链长N及障碍物间距d对高分子链扩散系数D影响很大.链越长（N越大），扩散越慢（D越小）；同时障碍物间距d越小，扩散越慢（D越小）.障碍物对高分子链的形状因子及链大小也有影响.障碍物间距d越小时，高分子链更接近棒状，链尺寸也较大.这些研究结果有助于全面了解高分子链在受限环境下的构象及动力学过程.
XULi-mei(徐李梅) +2 more
doaj +1 more source
Rare Metals, Volume 45, Issue 4, April 2026.ABSTRACT Sodium metal batteries (SMBs) are regarded as promising candidates for next‐generation energy storage systems owing to their high theoretical energy density and low cost. However, their practical development is hindered by the instability of the electrode–electrolyte interphase (EEI), particularly under high‐voltage operation.
Xingyu Yang +10 more
wiley +1 more source
四川大学学报. 自然科学版, 2006 利用壳层模型分子动力学方法,研究了高温高压条件下FeO的熔化温度,同时还计算了温度在300K及压强上升到140 GPa时FeO的状态方程.作者在研究中,考虑了分子动力学模拟熔化存在的过热现象,通过晶体的现代熔化理论,对FeO的分子动力学模拟熔化温度进行了修正,获得了高温高压下FeO正确的熔化温度.因此,为常压下利用壳层模型分子动力学研究物质熔化提供了一种较好的方法,该方法亦可进一步推广应用到其它物质的高压熔化研究工作.
刘子江 +4 more
doaj
Rare Metals, Volume 45, Issue 4, April 2026.ABSTRACT Constructing a porous scaffold with the essential features of natural cancellous bone, including structural architecture and biochemical cues, is one of the pivotal factors for effective bone regeneration. In this study, a biomimetic composite porous Gelatin fibrous scaffold (SrHA/Gelatin) incorporating ultralong strontium‐doped hydroxyapatite
Yin‐Chuan Wang +8 more
wiley +1 more source
Gupta势结合多种算法求解Con（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