Philosophical Magazine最新文献_第10页

Scaling dynamics and universality of fission-gas-bubble growth in amorphous systems 非晶系统中裂变气泡生长的尺度动力学和普适性

IF 1.6 4区材料科学

Philosophical Magazine Pub Date : 2023-04-28 DOI: 10.1080/14786435.2023.2203955

D. Kharchenko, V. Kharchenko, Olha M. Shchokotova, Lu Wu

引用次数: 0

Static investigation of martensitic nucleation criticality in an atomistic model material 原子模型材料中马氏体成核临界的静态研究

IF 1.6 4区材料科学

Philosophical Magazine Pub Date : 2023-04-20 DOI: 10.1080/14786435.2023.2197299

Nitzan Mizrahi, O. Kastner, R. Shneck

{"title":"Static investigation of martensitic nucleation criticality in an atomistic model material","authors":"Nitzan Mizrahi, O. Kastner, R. Shneck","doi":"10.1080/14786435.2023.2197299","DOIUrl":"https://doi.org/10.1080/14786435.2023.2197299","url":null,"abstract":"ABSTRACT This contribution investigates the nucleation of martensitic transformations in the bulk of austenitic single crystals. The transformation is associated with a decrease in the potential energy that is the driving force for the transformation. The coordinated atom displacements, which generate the martensite, produce large elastic strains in the material, which are associated with an elastic energy that opposes the transformation. A thermodynamic nucleation criterion for this type of transformations is derived. The criterion is evaluated by the method of static lattice relaxation for homogeneous nucleation in an atomistic 2D model material. The potential energy of martensitic clusters of different sizes and shapes, embedded in a stabilised austenitic matrix are calculated. The results exhibit non-monotonous progressions of the potential energy with the cluster size. This indicates that the elastic strain energy scales non-linearly with the size to allow the formation of local energy maxima at critical cluster sizes, interpreted as nucleation barriers. These barriers separate domains of stability from domains of instability in the configurations space, similar to Kelvin's classical theory of spherical fluid phase nucleation. The critical nuclei sizes are in the order of 100–150 unit cells, and their shapes are plate-like with long dimension parallel to the shear direction. The critical size of twinned clusters decreases with the twinning multiplicity.","PeriodicalId":19856,"journal":{"name":"Philosophical Magazine","volume":"49 1","pages":"1247 - 1278"},"PeriodicalIF":1.6,"publicationDate":"2023-04-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88471813","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Diamagnetic susceptibility of an artificial hydrogen molecule ion DD2 + confined to quantum dots: effects of anisotropy 量子点内人工氢分子离子DD2 +的抗磁化率:各向异性的影响

IF 1.6 4区材料科学

Philosophical Magazine Pub Date : 2023-04-20 DOI: 10.1080/14786435.2023.2198779

H. Sari, S. Sakiroglu, E. Kasapoglu, C. Duque

引用次数: 0

Multiferroic and half-metallic character of hexagonal BaTi0.5Fe0.5O3: DFT based calculation 六方BaTi0.5Fe0.5O3的多铁性和半金属性:基于DFT的计算

IF 1.6 4区材料科学

Philosophical Magazine Pub Date : 2023-04-14 DOI: 10.1080/14786435.2023.2198268

Ayyoub Bezzalla, M. Elchikh, N. Iles

{"title":"Multiferroic and half-metallic character of hexagonal BaTi0.5Fe0.5O3: DFT based calculation","authors":"Ayyoub Bezzalla, M. Elchikh, N. Iles","doi":"10.1080/14786435.2023.2198268","DOIUrl":"https://doi.org/10.1080/14786435.2023.2198268","url":null,"abstract":"ABSTRACT In this paper, we report a density functional theory (DFT) calculation study based on the full potential linear augmented plane wave (FP-LAPW) to investigate the effect of Fe incorporation in hexagonal BaTiO3 with a high Fe content : BaTi0.5Fe0.5O3.We discuss the structural, mechanical, electronic and magnetic properties as well as the spontaneous electrical polarisation P. The partial Fe substitution in BaTiO3 conserves and doubles its initial polarisation value from 0.12 to 0.25 C/m2. In contrast to nonmagnetic BaTiO3, we observe a net magnetic moment of 6.0 μB/formula unit. But, when the strong correlations among d electrons of Fe atoms are taken into account, the total magnetic is increasing and is equal to 10 μB/formula unit, due to a net increasing of magnetic moment of Fe atoms. Therefore, the coexistence of spontaneous electrical polarisation P along with a magnetic moment leads to a new and interesting multiferroic behaviour. We also observe a half-metallic behaviour in which spin down bands structure shows metallic character whereas spin up bands structure shows semi-conductor character with an energy gap of 1.48 eV. This reveals that the multiferroic BaTi0.5Fe0.5O3 could be potential candidate for spintronics devices.","PeriodicalId":19856,"journal":{"name":"Philosophical Magazine","volume":"35 1","pages":"1279 - 1292"},"PeriodicalIF":1.6,"publicationDate":"2023-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87206280","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Experimental and simulation study of microstructure and magnetic properties of (AlFeMnNi)1−x Nd x (AlFeMnNi)1−x Nd的微观结构和磁性能的实验与模拟研究

IF 1.6 4区材料科学

Philosophical Magazine Pub Date : 2023-04-12 DOI: 10.1080/14786435.2023.2193911

A. Abjaou, R. Masrour, E. Hlil

{"title":"Experimental and simulation study of microstructure and magnetic properties of (AlFeMnNi)1−x Nd x","authors":"A. Abjaou, R. Masrour, E. Hlil","doi":"10.1080/14786435.2023.2193911","DOIUrl":"https://doi.org/10.1080/14786435.2023.2193911","url":null,"abstract":"ABSTRACT The high-entropy alloy (Al25Fe30Mn25Ni20)1−x Nd x (all in at.%) (AlFeMnNi)1−x Nd x ) was prepared by vacuum arc melting (AM) and casting method (CM). X-Ray Diffraction (XRD) and Scanning Electron Microscopy, transmission electron microscope and Integrated Energy-Dispersive X-ray spectroscopy were used to study the structure of our system. The (Al25Fe30Mn25Ni20)1−x Nd x crystallises in a Face-centred cube and centred cubic (BCC), depending on the x (x = 0.00, x = 0.01 at.% Nd). The increase of Neodymium (0.01 at.% Nd) content results in the formation of BCC structure. The chemical composition analysis of FCC and BCC crystal structures, their lattice constants demonstrate that the formation of a single BCC solid solution between 760°C and 1480°C. The Korringa–Kohn–Rostoker Method and Green's function combined with coherent potential approximation were used to study the magnetoelectronic properties of (Al25Fe30Mn25Ni20)1−x Nd x . We have obtained the value optimised of lattice parameter 2.9 Å and it is near to that obtained by experimental value using High Score programme and results XRD experimental.","PeriodicalId":19856,"journal":{"name":"Philosophical Magazine","volume":"67 1","pages":"1177 - 1190"},"PeriodicalIF":1.6,"publicationDate":"2023-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81081511","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Iodine doping of CsPbBr3: toward highly stable and clean perovskite single crystals for optoelectronic applications 碘掺杂CsPbBr3:用于光电应用的高稳定和清洁的钙钛矿单晶

IF 1.6 4区材料科学

Philosophical Magazine Pub Date : 2023-04-12 DOI: 10.1080/14786435.2023.2195703

P. Sujith, S. Parne, P. Predeep

引用次数: 1

Research on QPQ rare earth nitriding process on properties of Q235 carbon steel QPQ稀土氮化工艺对Q235碳钢性能的影响研究

IF 1.6 4区材料科学

Philosophical Magazine Pub Date : 2023-04-05 DOI: 10.1080/14786435.2023.2196451

Xin Zhang, Zhengbing Meng, Ying Zhou, Yuanyu Chen, Yuxiang Li

引用次数: 0

Microstructure evolution and precipitation behaviour of the Cu-Ni-Si-Cr alloy based on twin-roll strip casting 双辊铸轧Cu-Ni-Si-Cr合金组织演变及析出行为

IF 1.6 4区材料科学

Philosophical Magazine Pub Date : 2023-03-30 DOI: 10.1080/14786435.2023.2191018

G. Cao, Ruixiang Li, Shuang Zhang, Hao Wang, Yuanxiang Zhang

引用次数: 0

First-principles study of electronic, mechanical and piezoelectric properties of Janus MoSH Janus MoSH的电子学、力学和压电性质的第一性原理研究

IF 1.6 4区材料科学

Philosophical Magazine Pub Date : 2023-03-30 DOI: 10.1080/14786435.2023.2192053

Yu-Pu He, Shao-yi Wu, Jia-Xing Guo, Qi-Hang Qiu, Tian-Hao Guo

{"title":"First-principles study of electronic, mechanical and piezoelectric properties of Janus MoSH","authors":"Yu-Pu He, Shao-yi Wu, Jia-Xing Guo, Qi-Hang Qiu, Tian-Hao Guo","doi":"10.1080/14786435.2023.2192053","DOIUrl":"https://doi.org/10.1080/14786435.2023.2192053","url":null,"abstract":"ABSTRACT Janus transition metal dichalcogenides (TMDCs) type two-dimensional materials have been widely studied because of their unique asymmetrical structures and properties. In the preparation of Janus TMDCs, replacing the top layer S atoms of MoS2 with H atoms could yield unique Janus MoSH, which has been scarcely reported. In this work, the electronic, mechanical and piezoelectric properties of Janus MoSH are systematically studied using first principles calculations for the first time. The band structure of Janus MoSH is of metallic nature with two bands crossing the Fermi level. This material has a stable structure, and the Poison ratio ν > 1/3 indicates the good ductility. The relatively higher piezoelectric coefficients, e11 of −4.27 × 10−10 C/m and d11 of −5.09 pm/V for Janus MoSH, compared with the typical piezoelectric semiconductor materials MoS2 (3.64 × 10−10 C/m and 3.73 pm/V, respectively) may reflect suitable piezoelectric effect in the former. The above calculations may show that Janus MoSH would be potentially adopted as efficient sensors and piezoelectric components.","PeriodicalId":19856,"journal":{"name":"Philosophical Magazine","volume":"18 1","pages":"1198 - 1212"},"PeriodicalIF":1.6,"publicationDate":"2023-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85327567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 1

Fractal fatigue crack 分形疲劳裂纹

IF 1.6 4区材料科学

Philosophical Magazine Pub Date : 2023-03-25 DOI: 10.1080/14786435.2023.2184878

Arpan Das

引用次数: 0