Journal of Non-crystalline Solids最新文献

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Investigating sulfur valence depth profile on float glass surfaces using electron probe microanalysis and stepwise etching 利用电子探针显微分析和逐步蚀刻技术研究浮法玻璃表面的硫价深度分布
IF 3.2 3区 材料科学
Journal of Non-crystalline Solids Pub Date : 2024-10-31 DOI: 10.1016/j.jnoncrysol.2024.123282
{"title":"Investigating sulfur valence depth profile on float glass surfaces using electron probe microanalysis and stepwise etching","authors":"","doi":"10.1016/j.jnoncrysol.2024.123282","DOIUrl":"10.1016/j.jnoncrysol.2024.123282","url":null,"abstract":"<div><div>This study introduces a novel method that significantly improves the understanding of sulfur behavior during the float process, which is a key factor for achieving high-quality glass surfaces. We established and demonstrated a novel approach that combines an optimized electron probe micro-analyzer with a stepwise etching technique for obtaining detailed depth profiling of sulfur concentrations as well as the average valence of sulfur on the surfaces of a float glass sample. The average valence of sulfur from each side of the float glass mirrored each other, exhibiting lower values near the surfaces and higher values internally. A reduced layer extending up to approximately 5 μm on both sides was also present. On the atmosphere side, the reduced layer transitioned abruptly to the oxidized layer. In contrast, the tin side featured an intermediate redox layer, where the sulfur valence gradually increased. We proposed two mechanisms for the formation of this intermediate layer: an inward sulfide diffusion, and an oxidation–reduction reaction involving Sn<sup>2+</sup> penetrated from the tin bath.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142561422","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The rebound law of micro-particle on amorphous alloys under high impact velocities 高冲击速度下微粒子在非晶合金上的反弹规律
IF 3.2 3区 材料科学
Journal of Non-crystalline Solids Pub Date : 2024-10-31 DOI: 10.1016/j.jnoncrysol.2024.123274
{"title":"The rebound law of micro-particle on amorphous alloys under high impact velocities","authors":"","doi":"10.1016/j.jnoncrysol.2024.123274","DOIUrl":"10.1016/j.jnoncrysol.2024.123274","url":null,"abstract":"<div><div>Compared to their crystalline counterparts, amorphous alloys due to disordered structures are expected to have higher elasticity of deformation. However, in this work, we use the micro-ballistic impact technique to show a smaller dynamic redound of micro-particles on a Zr-based amorphous alloy than that on its corresponding polycrystalline target. We find that the two alloys follow the same rebound law of micro-particle under low impact velocities, but with increasing impact velocity the amorphous alloy exhibits a faster decrease in rebound velocity of micro-particle. This lower rebound results from the easier activations of shear banding in glassy structures, thus contributing to more significant energy dissipation during the micro-particle impact. Further analyses imply that the amorphous alloys and their crystalline counterparts are more favorable in shock wave and projectile protection, respectively. This work is useful in the understanding of the dynamic elasticity and shock energy dissipation of amorphous alloys under micro-particle impacts.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142561418","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of Sn, Bi and In on the magnetic properties and microstructure of Fe-B-C-Si-P-Cu-M nanocrystalline alloys Sn、Bi 和 In 对 Fe-B-C-Si-P-Cu-M 纳米晶合金磁性能和微观结构的影响
IF 3.2 3区 材料科学
Journal of Non-crystalline Solids Pub Date : 2024-10-31 DOI: 10.1016/j.jnoncrysol.2024.123277
{"title":"Effect of Sn, Bi and In on the magnetic properties and microstructure of Fe-B-C-Si-P-Cu-M nanocrystalline alloys","authors":"","doi":"10.1016/j.jnoncrysol.2024.123277","DOIUrl":"10.1016/j.jnoncrysol.2024.123277","url":null,"abstract":"<div><div>In this work, the effects of Sn, Bi and In microalloying elements on the magnetic properties and microstructure of Fe<sub>83.1-x-y-z</sub>B<sub>9.25</sub>C<sub>3</sub>Si<sub>3</sub>P<sub>0.9</sub>Cu<sub>0.75</sub>Sn<sub>x</sub>Bi<sub>y</sub>In<sub>z</sub> (<em>x, y, z</em> = 0∼0.2) nanocrystalline alloys were investigated. It shows the microaddition of Bi and In could facilitate the formation of α-Fe nanocrystals and reduce the growth activation energy, due to their positive mixing enthalpies (Δ<em>H<sub>mix</sub></em>) with Fe and rapid diffusion of their atoms. The promoting effects of In and Bi (especially In) addition on α-Fe precipitation increased the crystallization volume fraction (<em>v<sub>cr</sub></em>) and thus enhanced the magnetic flux density (<em>B<sub>s</sub></em>) of nanocrystalline alloys. Compared with Fe<sub>83.1</sub>B<sub>9.25</sub>C<sub>3</sub>Si<sub>3</sub>P<sub>0.9</sub>Cu<sub>0.75</sub> nanocrystalline alloy, the <em>B<sub>s</sub></em> of Fe<sub>83</sub>B<sub>9.25</sub>C<sub>3</sub>Si<sub>3</sub>P<sub>0.9</sub>Cu<sub>0.75</sub>Bi<sub>0.1</sub>, Fe<sub>83</sub>B<sub>9.25</sub>C<sub>3</sub>Si<sub>3</sub>P<sub>0.9</sub>Cu<sub>0.75</sub>In<sub>0.1</sub>, and Fe<sub>82.9</sub>B<sub>9.25</sub>C<sub>3</sub>Si<sub>3</sub>P<sub>0.9</sub>Cu<sub>0.75</sub>Bi<sub>0.1</sub>In<sub>0.1</sub> alloys, annealed with same method, increased from 1.810 T to 1.831 T, 1.837 T and 1.849 T, respectively, together with relatively low coercivity (<em>H<sub>c</sub></em>). The present results indicate that microaddtion of low melting point element possessing positive mixing enthalpies with Fe could significantly improve the magnetic properties of the nanocrystalline alloys, which possess great potentials of application in high frequency electronic apparatus. It offered a new approach for design high performance soft magnetic nanocrysalline alloys.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142561421","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Local structure analysis of γ-radiation-induced defects and Fe3+ impurities in soda-lime-silica: X-band EPR simulation 钠钙硅石中 γ 辐射诱导缺陷和 Fe3+ 杂质的局部结构分析:X 波段 EPR 模拟
IF 3.2 3区 材料科学
Journal of Non-crystalline Solids Pub Date : 2024-10-30 DOI: 10.1016/j.jnoncrysol.2024.123276
{"title":"Local structure analysis of γ-radiation-induced defects and Fe3+ impurities in soda-lime-silica: X-band EPR simulation","authors":"","doi":"10.1016/j.jnoncrysol.2024.123276","DOIUrl":"10.1016/j.jnoncrysol.2024.123276","url":null,"abstract":"<div><div>This study measured and simulated continuous wave X-band electron paramagnetic resonance (<em>cw</em>-EPR) spectra of γ-irradiated (nuclear decay of <sup>60</sup>Co) at 300 K soda-lime-silicate (SLS) glass to analyze the effects on Fe<sup>3+</sup> ions from Fe<sub>2</sub>O<sub>3</sub> impurities. Three radiation-induced hole-center paramagnetic defects were identified, though simulating the broad electron-center signals was challenging. A prominent Fe<sup>3+</sup> resonance line (<em>g</em>∼ 4.28) was simulated using a rhombic spin Hamiltonian, and γ-irradiation caused a shift in the Fe<sup>3+</sup> <em>g</em><sub>iso</sub>value. While the axial <em>zero-field-splitting</em> (ZFS) parameter (<em>D</em>) remained stable, the rhombic ZFS parameter (<em>E</em>) decreased with increasing radiation, increasing rhombicity (<em>λ</em>= |<em>E</em>/<em>D</em>|). This suggests that radiation-induced defects distort the Fe<sup>3+</sup> sites' electronic environment in the glass network. In summary, the study reveals the local structural evolution of radiation-induced defects in SLS glass and the local structure of Fe<sup>3+</sup> impurities under γ-irradiation.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142553148","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mechanical degradation of basalt fiber at elevated temperatures (300∼360 °C) studied through semi-quantitative analysis of X-ray photoelectron spectrometry 通过 X 射线光电子能谱半定量分析研究玄武岩纤维在高温(300∼360 °C)下的机械降解情况
IF 3.2 3区 材料科学
Journal of Non-crystalline Solids Pub Date : 2024-10-30 DOI: 10.1016/j.jnoncrysol.2024.123269
{"title":"Mechanical degradation of basalt fiber at elevated temperatures (300∼360 °C) studied through semi-quantitative analysis of X-ray photoelectron spectrometry","authors":"","doi":"10.1016/j.jnoncrysol.2024.123269","DOIUrl":"10.1016/j.jnoncrysol.2024.123269","url":null,"abstract":"<div><div>This work conducted a semi-quantitative analysis of structural variations in the surfaces and interiors of basalt fibers at 300 °C∼360 °C using X-ray photoelectron spectrometry. The proportions of non-bridging oxygen (NBO) of fiber surfaces are significantly higher than those in the interiors, due to the surface oxidation that occurs during the fiber manufacturing process. After heat treatment, the NBO contents of the interiors significantly exceeded those of the surfaces, indicating that the oxidation of the fibers is intrinsic and independent of environmental oxygen. Tensile tests showed that the structural variation of the fiber interior affects the fiber modulus, while that of the surface affects the growth of surface flaws, which manifests as the reduction of breaking elongation. This study presents an analytical method that contributes to a deeper understanding of the mechanisms underlying the mechanical degradation of those basaltic fibers at elevated temperatures.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142553147","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Luminescence properties and Judd-Ofelt theory analysis of Tb3+-Sm3+ co-doped glass ceramics containing Sr5F(PO4)3 含 Sr5F(PO4)3 的 Tb3+-Sm3+ 共掺玻璃陶瓷的发光特性和 Judd-Ofelt 理论分析
IF 3.2 3区 材料科学
Journal of Non-crystalline Solids Pub Date : 2024-10-30 DOI: 10.1016/j.jnoncrysol.2024.123280
{"title":"Luminescence properties and Judd-Ofelt theory analysis of Tb3+-Sm3+ co-doped glass ceramics containing Sr5F(PO4)3","authors":"","doi":"10.1016/j.jnoncrysol.2024.123280","DOIUrl":"10.1016/j.jnoncrysol.2024.123280","url":null,"abstract":"<div><div>Tb<sup>3+</sup>-Sm<sup>3+</sup> co-doped glass ceramics containing Sr<sub>5</sub>F(PO<sub>4</sub>)<sub>3</sub> phase were synthesized using the melting-curing-crystallization method. The best heat treatment condition for glass ceramics was determined to be at 750 °C for 1.5 h through the use of differential scanning calorimetry (DSC), X-ray diffraction (XRD), and transmittance curve analysis. With the Judd-Ofelt theory, the Judd-Ofelt strength parameters Ω<sub>λ</sub> (λ=2,4,6) for precursor glasses and glass ceramics were calculated. Fluorescence spectroscopy was used to study the optical properties of Tb<sup>3+</sup>-Sm<sup>3+</sup> co-doped containing Sr<sub>5</sub>F(PO<sub>4</sub>)<sub>3</sub> glass ceramics. The results demonstrated a significant enhancement in the luminescence performance of Sr<sub>5</sub>F(PO<sub>4</sub>)<sub>3</sub> crystalline glass ceramics compared to the precursor glass. Fluorescence lifetimes and Dexter's theory demonstrate energy transfer from Tb<sup>3+</sup> to Sm<sup>3+</sup>. The luminescent color of glass ceramics can be altered by varying the concentration of Sm<sup>3+</sup> doping. The Tb<sup>3+</sup>-Sm<sup>3+</sup> co-doped Sr<sub>5</sub>F(PO<sub>4</sub>)<sub>3</sub> phase glass ceramics exhibit promising potential for application in the field of W-LEDs.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142553146","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Low temperature DSC investigation of neutron irradiated non-crystalline Si3N4 nanoparticles 中子辐照非结晶 Si3N4 纳米粒子的低温 DSC 研究
IF 3.2 3区 材料科学
Journal of Non-crystalline Solids Pub Date : 2024-10-30 DOI: 10.1016/j.jnoncrysol.2024.123272
{"title":"Low temperature DSC investigation of neutron irradiated non-crystalline Si3N4 nanoparticles","authors":"","doi":"10.1016/j.jnoncrysol.2024.123272","DOIUrl":"10.1016/j.jnoncrysol.2024.123272","url":null,"abstract":"<div><div>The DSC spectra and Gibbs free energy of non-crystalline nano Si<sub>3</sub>N<sub>4</sub> particles were investigated in the temperature range of -100÷500 °C. All analyzes were comparatively performed before and after neutron irradiation. Simultaneously, all thermophysical parameters were considered separately in both heating and cooling processes. The heat flow in Si<sub>3</sub>N<sub>4</sub> nanoparticles was investigated as a function of temperature. The influence of the neutron flux on the Gibbs free energy was comparatively investigated at low temperatures. The effect of neutron transmutations and supercooling on heat transport processes in Si<sub>3</sub>N<sub>4</sub> nanoparticles has been studied.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142553149","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Preparation and photocatalytic properties of single-phase Bi2MO6 (M=Mo, W) glass-ceramics 单相 Bi2MO6(M=Mo,W)玻璃陶瓷的制备与光催化特性
IF 3.2 3区 材料科学
Journal of Non-crystalline Solids Pub Date : 2024-10-29 DOI: 10.1016/j.jnoncrysol.2024.123281
{"title":"Preparation and photocatalytic properties of single-phase Bi2MO6 (M=Mo, W) glass-ceramics","authors":"","doi":"10.1016/j.jnoncrysol.2024.123281","DOIUrl":"10.1016/j.jnoncrysol.2024.123281","url":null,"abstract":"<div><div>Single-phase Bi<sub>2</sub>MO<sub>6</sub> (M=Mo, W) glass-ceramics with photocatalytic activity were obtained by one-step heat treatment of the 51B<sub>2</sub>O<sub>3</sub>–24Li<sub>2</sub>O-7ZnO-2P<sub>2</sub>O<sub>5</sub>–1Al<sub>2</sub>O<sub>3</sub>–5Bi<sub>2</sub>O<sub>3</sub>–10MoO<sub>3</sub>/WO<sub>3</sub> parent glasses. The thermal behaviour, phase composition, micromorphology, and network structure of the glasses were investigated, and it was observed that the crystal structure, crystallinity, and microscopic morphology of the glass-ceramics have a significant effect on the photocatalytic activity. XRD and SEM results confirm the precipitation of the monoclinic Bi<sub>2</sub>MoO<sub>6</sub> and orthorhombic Bi<sub>2</sub>WO<sub>6</sub> crystals, which are nano-spherical and 3D dumbbell-like structures, respectively. The prepared glass-ceramics exhibit a strong absorption in the UV–Vis region. The photocatalytic activity of the Bi<sub>2</sub>MO<sub>6</sub> (M=Mo, W) glass-ceramic powders is evaluated by methylene blue dye under UV irradiation. Under the same conditions, the Bi<sub>2</sub>WO<sub>6</sub> glass-ceramic powders exhibit a higher photocatalytic activity than the Bi<sub>2</sub>MoO<sub>6</sub> glass-ceramic powders. The Bi<sub>2</sub>WO<sub>6</sub> glass-ceramic powders achieve a 73% degradation of methylene blue dye after 150 min of irradiation. The difference in photocatalytic activity is mainly related to the crystal structure, crystallinity, and micromorphology of the glass-ceramics. The prepared Bi<sub>2</sub>WO<sub>6</sub> glass-ceramic can be used as a photocatalyst for wastewater treatment.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142539209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Developing an indexing methodology for estimating the reactivity of slag from different sources use in alkali-activated materials 开发用于估算碱活性材料中不同来源炉渣反应性的指数化方法
IF 3.2 3区 材料科学
Journal of Non-crystalline Solids Pub Date : 2024-10-28 DOI: 10.1016/j.jnoncrysol.2024.123278
{"title":"Developing an indexing methodology for estimating the reactivity of slag from different sources use in alkali-activated materials","authors":"","doi":"10.1016/j.jnoncrysol.2024.123278","DOIUrl":"10.1016/j.jnoncrysol.2024.123278","url":null,"abstract":"<div><div>The slag is rich in reactive aluminosilicate components and can be combined with alkali solution to form a three-dimensional binder. However, the inherently heterogeneous nature of slag presents challenges to the standardization of alkali-activated product. The fundamental objective of this work is to understand differences of characteristics between slags obtained from different sources within China, including physical properties, chemical composition, microstructure, elemental distribution, mineral phases, chemical bonding, glass contents, together with the microstructures of glassy phase. A novel reactivity index concept to evaluate slag used in alkali activated materials was proposed using seven typical slags in China and validated it against nine data from literature, confirming its considerable effectiveness and usefulness in reactivity evaluations. The positive correlations were found between the reactivity index of slag and the strengths of alkaline-activated pastes prepared by different methods and this index optimizes the process of raw waste selection.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142533035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Elastic properties of Fe95-yNb2Mo2Cu1Siy-xBx (x=5-8, y=20-26) at % amorphous alloys Fe95-yNb2Mo2Cu1Siy-xBx (x=5-8, y=20-26) % 非晶合金的弹性特性
IF 3.2 3区 材料科学
Journal of Non-crystalline Solids Pub Date : 2024-10-28 DOI: 10.1016/j.jnoncrysol.2024.123283
{"title":"Elastic properties of Fe95-yNb2Mo2Cu1Siy-xBx (x=5-8, y=20-26) at % amorphous alloys","authors":"","doi":"10.1016/j.jnoncrysol.2024.123283","DOIUrl":"10.1016/j.jnoncrysol.2024.123283","url":null,"abstract":"<div><div>Amorphous materials exhibit complex atomic structures characterized by the absence of long-range order, in contrast to the well-defined periodicity of crystalline materials. This structural complexity is further pronounced in compositions such as FeMCuSiB (M = Nb, Mo, W and Ta), which incorporate elements with varying atomic radii and valencies. The Young's modulus of structures generated using traditional methods, such as melt-quenching and random packing, shows poor agreement with experimental data. In this study, we employ hybrid methods for generating the structures, which involve randomly packing elements without overlap, followed by thermalization at room temperature using Ab-initio Molecular Dynamics simulations. The Young's modulus evaluated from these structures aligns well with values measured using Dynamic Mechanical Analysis. Additionally, we utilize these structures to determine other elastic moduli including the bulk modulus and tetragonal shear modulus and find that the obtained values are consistent with the expected range for these compounds. We attribute the improved accuracy to a more representative approximation of the amorphous structure and the direct application of energy-strain relationships, rather than stress-strain relationships, for elastic moduli determination. Our methodology facilitates reliable predictions of the physical properties of amorphous materials and contributes to the design of FeMCuSiB (M = Nb, Mo, W and Ta) alloys with enhanced mechanical properties.</div></div>","PeriodicalId":16461,"journal":{"name":"Journal of Non-crystalline Solids","volume":null,"pages":null},"PeriodicalIF":3.2,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142533036","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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