Jun 9, 2022 · Investigations of Fe intercalated GIC (Fe-GIC) showed interesting trends in its mechanical properties due to bond formation between the intercalated Fe atoms and the ‘sandwiching’ graphene sheets.

May 18, 2022 · RDF（radial distribution function）径向分布函数（或称对相关函数），其含义是每个球层位置的被计算组的原子的数密度与其平均数密度的比值，描述密度如何因距离参考粒子的距离而变化。其中被计算组的平均数密度为被计算组粒子的个数除以盒子的体积。

Mar 27, 2023 · The partial radial distribution functions (RDF) were calculated for Fe-Fe, Fe-Zr, and Zr-Zr pairs from the atomic positions in each supercell and then averaged using all the simulated...

Feb 25, 2020 · Molecular dynamics simulations are performed to study thermal properties of bulk iron material and Fe nanoparticles (FNP) by using a ReaxFF reactive force field.

We demonstrate effective speciation of Fe in model compounds from analysis of the weak pre-edge features in Fe K-edge XANES spectra, with a commercially available laboratory X-ray spectrometer,...

The Fe–Fe RDF is peaked at 2.2 Å, indicating some tendency of iron clustering in the silicate melt. The rest of the RDFs have much broader and shorter first peaks, with a high degree of asymmetry and large minimum values.

Radial distribution function (RDF), g, for the metal-to-metal distance, r, in the Fe (a), Ni (b), and Cu (c) clusters before (blue) and after (red) hydrogen adsorption. For each metal...

Aug 9, 2024 · Consequently, a significant spatial gap between the Fe atoms and chlorines is depicted in the RDF, highlighting the absence of dissociation products in this scenario. This suggests that high sulfur coverage can hinder the dissociation of cis-DCE and PCE greatly.

Sep 3, 2021 · 1. rdf 结果显示第一个峰低于第二个峰，我在文献看到的rdf结果都是第一峰高于第二个峰。我这是不是做错了？ 2. 文献中说，对于n和fe, 只要他们的距离小于 3.5 a，即可认为形成了配位键。我去查了之后，没找到相关论述，请问这是有什么判断规则吗？

To avoid unexpected environmental mechanical failure, there is a strong need of fully understanding the details of the oxidation process and intrinsic mechanical properties of reactive metallic...

Feb 1, 2025 · This is supported by radial distribution function (RDF) for Fe 2+-water interactions in iron perchlorate electrolyte without DMSO and with DMSO. In absence of DMSO, highly intense first peak appeared at ∼1.44 Å indicating the strong …

Oct 25, 2023 · The RDF analysis shown in Fig. 3 reports that the interaction between benzophenone (BP) and Fe substrate occurs mostly at 3.01 Å and 2.67 Å for Fe–C and Fe–O, indicating that chemical bonds are formed between inhibitor molecules and metal atoms (Ravi et …

Nanostructure evolution during low temperature aging of three binary Fe-Cr alloys has been investigated by atom probe tomography. A new method based on radial distribution function (RDF) analysis to quantify the composition wavelength and amplitude of spinodal decomposition is …

Feb 5, 2023 · In this study, we employed a ReaxFF reactive force field to investigate the interaction between hydrogen and iron oxides (FeO and Fe 2 O 3), which displayed an obvious adsorption process.

Radial distribution function (RDF) computations for the Al and Fe atoms at the interface suggest that mixing in the solid-state resulted in the formation of FeAl intermetallic compound (CsCl crystal structure).

Fire Emblem: Radiant Dawn is the longest game in the Fire Emblem series, totalling 43 individual maps within 42 chapters in a single playthrough. The game is divided into four parts, each with a different focal character, with all playable parties eventually converging into one in the fourth part.

Part 4-Endgame Preparations: Ike, Micaiah, Sothe, Sanaki, Ena, Kurthnaga, one Heron, and 10 units of your choice from here on. Community content is available under CC-BY-SA unless otherwise noted. All of Part 1 is played as the Dawn Brigade.

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