Materialia最新文献

Mechano-chemical competition in driven complex concentrated alloys

IF 3

Materialia Pub Date : 2024-12-01 DOI: 10.1016/j.mtla.2024.102300

Luyan Li , Yuan Yao , Mostafa Hassani

{"title":"Mechano-chemical competition in driven complex concentrated alloys","authors":"Luyan Li , Yuan Yao , Mostafa Hassani","doi":"10.1016/j.mtla.2024.102300","DOIUrl":"10.1016/j.mtla.2024.102300","url":null,"abstract":"<div><div>Mechanically driven complex concentrated alloys can be formed by three or more types of elemental powders mixing into a solid solution through severe plastic deformation at temperatures much lower than the melting point of each element. While competition between the thermal and mechanical driving forces during forced mixing of binary systems with positive enthalpy of mixing is relatively well understood, the physics of mechanically driven mixing of multiple elements with negative mixing enthalpies remained unclear. In this work, we combined mechanical alloying (MA), X-ray diffraction (XRD), and kinetic Monte Carlo (kMC) simulations to systematically study the interplay between the chemical pairing potential and the mechanical strength of elemental pairs during the formation process of mechanically driven complex concentrated alloys. We demonstrate that the chemical and mechanical forces play a competing role in the mixing of ternary complex concentrated alloys with negative mixing enthalpies. The chemical driving force favors a chemically ordered atomic structure, while the mechanical force encourages a random atomic arrangement. We reveal the energetic basis of this competition as the gain and loss in mixing enthalpy and configurational entropy. Following this fundamental understanding, three types of mixing mechanisms and their corresponding steady-state phases are defined. We show that the molar content of the element with the lowest average mixing enthalpy governs the mixing mechanisms and thus determines the energetic stabilization of the steady-state phases. A theoretical phase prediction map is provided for alloy design. We synthesized a nanocrystalline equiatomic NiCoCr coating under the guidelines of the map, which presents exceptional mechanical properties achieved by the mechano-chemical mixing.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"38 ","pages":"Article 102300"},"PeriodicalIF":3.0,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142748546","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Nucleation of recrystallization: A new approach to consider the evolution of the substructure in the system 再结晶的成核：考虑系统中子结构演变的新方法

IF 3

Materialia Pub Date : 2024-11-24 DOI: 10.1016/j.mtla.2024.102301

Louis Hennocque , Julien Favre , Nicolas Meyer , Thomas Sourisseau , David Piot , Frank Montheillet , Laurence Latu-Romain , Guillaume Kermouche

{"title":"Nucleation of recrystallization: A new approach to consider the evolution of the substructure in the system","authors":"Louis Hennocque , Julien Favre , Nicolas Meyer , Thomas Sourisseau , David Piot , Frank Montheillet , Laurence Latu-Romain , Guillaume Kermouche","doi":"10.1016/j.mtla.2024.102301","DOIUrl":"10.1016/j.mtla.2024.102301","url":null,"abstract":"<div><div>The mechanisms of nucleation during dynamic and static recrystallization still remain unclear, particularly with respect to their precise formulation into equations, and the specific implications of subgrains features on these mechanisms. In this paper, it is proposed to correlate the grain nucleation with subgrains and low-angle boundaries misorientation evolution. A nucleation criterion that takes into account the low-angle boundary density evolution in the system is established based on thermodynamic considerations. This new approach is based on a reformulation of the Bailey-Hirsch criterion and is derived from calculations of the equilibrium pressure on grain boundaries. The free energy calculations associated with this criterion allow a fine phenomenological description of the associated nucleation frequency. This new approach is tested in the case of recrystallization of a ferritic stainless steel grade during hot compression tests. The evolution of the substructure is then studied for different holding times up to 20 s after hot compression. It appears that the nucleation frequency based on the proposed nucleation criterion is in agreement with the nucleation frequency derived from experimental observations. This approach allows a better understanding of the mechanisms governing the ability of a subgrain to nucleate in a given system, using rather simple assumptions.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"38 ","pages":"Article 102301"},"PeriodicalIF":3.0,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142720120","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Thermoelectric properties of Bi2Te3-based prepared by directional solidification under a high magnetic field 高磁场下定向凝固制备的基于 Bi2Te3 的热电特性

IF 3

Materialia Pub Date : 2024-11-23 DOI: 10.1016/j.mtla.2024.102294

Meiling Li , Mingwei Hu , Yaning Wang , Yonghui Ma , Yi Yuan , Tahashi Masahiro , Qiang Wang

{"title":"Thermoelectric properties of Bi2Te3-based prepared by directional solidification under a high magnetic field","authors":"Meiling Li , Mingwei Hu , Yaning Wang , Yonghui Ma , Yi Yuan , Tahashi Masahiro , Qiang Wang","doi":"10.1016/j.mtla.2024.102294","DOIUrl":"10.1016/j.mtla.2024.102294","url":null,"abstract":"<div><div>This study reports a significant enhancement of the thermoelectric properties of Bi<sub>2</sub>Te<sub>3</sub>-based materials achieved by modifying their internal microstructure via the high magnetic field-directed solidification method. The magnetic moment generated by the magnetic field leads to an optimal crystal orientation, drastically reducing the resistivity while maintaining the stability of the Seebeck coefficient. Consequently, the power factors of P-type Bi<sub>0.5</sub>Sb<sub>1.5</sub>Te<sub>3</sub> and N-type Bi<sub>2</sub>Te<sub>3</sub> samples were improved by 29.2 and 23.2 %, respectively. Furthermore, the thermoelectric magnetic force by the high magnetic field serves to refine the grain size and augment the source of phonon scatting, which effectively reduces the lattice thermal conductivity. Eventually, the <em>zT</em><sub>Max</sub> of the P-type Bi<sub>0.5</sub>Sb<sub>1.5</sub>Te<sub>3</sub> sample reaches 1.12, while that of the N-type Bi<sub>2</sub>Te<sub>3</sub> sample is 0.24, both higher than the value without the high magnetic field.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"38 ","pages":"Article 102294"},"PeriodicalIF":3.0,"publicationDate":"2024-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142720117","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","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 thermal history on performance of bulk metallic glass spacecraft components 热历史对块状金属玻璃航天器部件性能的影响

IF 3

Materialia Pub Date : 2024-11-22 DOI: 10.1016/j.mtla.2024.102298

Punnathat Bordeenithikasem, Richard Otis, Miguel B. Costa, Douglas C. Hofmann, R. Peter Dillon

引用次数: 0

Multi-phase-field lattice Boltzmann modeling and simulations of semi-solid simple shear deformation 半固态简单剪切变形的多相场晶格玻尔兹曼建模与模拟

IF 3

Materialia Pub Date : 2024-11-19 DOI: 10.1016/j.mtla.2024.102295

Namito Yamanaka , Shinmei Hayase , Shinji Sakane , Tomohiro Takaki

引用次数: 0

Tailored geochemical additives to inhibit CaO-MgO-Al2O3-SiO2 (CMAS) melt formation in gas turbine engines 抑制燃气涡轮发动机中 CaO-MgO-Al2O3-SiO2 (CMAS) 熔体形成的定制地球化学添加剂

IF 3

Materialia Pub Date : 2024-11-19 DOI: 10.1016/j.mtla.2024.102297

Jacob Elms , Alison Pawley , Nicholas Bojdo , Stephen Covey-Crump , Merren Jones , Rory Clarkson

{"title":"Tailored geochemical additives to inhibit CaO-MgO-Al2O3-SiO2 (CMAS) melt formation in gas turbine engines","authors":"Jacob Elms , Alison Pawley , Nicholas Bojdo , Stephen Covey-Crump , Merren Jones , Rory Clarkson","doi":"10.1016/j.mtla.2024.102297","DOIUrl":"10.1016/j.mtla.2024.102297","url":null,"abstract":"<div><div>Civil aircraft engines ingest significant quantities of mineral dusts during their operation in arid regions. These deposit on the engine components, melt at the elevated operating temperatures, and cause damage to the insulative Thermal Barrier Coatings (TBCs) that are critical to the durability of high temperature engine components. New melt-resistant TBCs may only mitigate damage effectively for specific deposit chemistries. We have investigated the use of tailored additives to change a deposit composition, raise its melting point and prevent melt formation. Only CaO-MgO-Al<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub> (CMAS) compositions were explored because deposits are typically simplified to this system. For our approach to work, it must be possible to reliably predict the composition, amount and melting temperatures of the deposited material and additive required to prevent melt formation at a given temperature. Experiments were performed between 1200 and 1400°C to investigate the chemistry and melting temperatures of a ‘deposit’ CMAS composition, and two ‘deposit + additives’ CMAS compositions produced by adding dolomite (CaMg[CO<sub>3</sub>]<sub>2</sub>) and/or periclase (MgO) to the ‘deposit’. We observed that enriching the starting material in CaO and MgO increased its melting temperature such that little to no melt would form on a high pressure turbine blade. Deviations of our liquidus temperatures from published liquidus diagrams show the need for further refinement of sections of the phase diagram. Greater understanding of the composition of airborne dusts around the world and their evolution inside aircraft engines is necessary before this approach can be used in practice.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"38 ","pages":"Article 102297"},"PeriodicalIF":3.0,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142720116","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Comparative study of irradiation resistance for multicomponent concentrated HfNbTiZr and dilute V-4Cr-4Ti alloys irradiated with He ions 用 He 离子辐照多组分浓 HfNbTiZr 和稀 V-4Cr-4Ti 合金的抗辐照性能比较研究

IF 3

Materialia Pub Date : 2024-11-18 DOI: 10.1016/j.mtla.2024.102293

I.V. Safronov , I.A. Ivanov , K. Jin , V.V. Uglov , S.V. Zlotski , M.M. Belov , S. Chen , Q. Zhang , A.E. Kurakhmedov , B.S. Amanzhulov , A.E. Ryskulov , A.D. Sapar , A.M. Temir , S.A. Mukhamadiyev , Ye.O. Ungarbayev , G.E. Remnev

{"title":"Comparative study of irradiation resistance for multicomponent concentrated HfNbTiZr and dilute V-4Cr-4Ti alloys irradiated with He ions","authors":"I.V. Safronov , I.A. Ivanov , K. Jin , V.V. Uglov , S.V. Zlotski , M.M. Belov , S. Chen , Q. Zhang , A.E. Kurakhmedov , B.S. Amanzhulov , A.E. Ryskulov , A.D. Sapar , A.M. Temir , S.A. Mukhamadiyev , Ye.O. Ungarbayev , G.E. Remnev","doi":"10.1016/j.mtla.2024.102293","DOIUrl":"10.1016/j.mtla.2024.102293","url":null,"abstract":"<div><div>To clarify the efficiency of irradiation resistance, investigation of body-centered cubic concentrated HfNbTiZr and dilute V-4Cr-4Ti alloys, irradiated by 40 keV He ions up to 5 × 10<sup>16</sup>, 1 × 10<sup>17</sup> and 5 × 10<sup>17</sup> cm<sup>–2</sup> fluences at room temperature, was carried out. Similar to V-4Cr-4Ti, HfNbTiZr possesses high phase stability and surface erosion resistance to irradiation with He ions up to 5 × 10<sup>17</sup> cm<sup>-2</sup>. Using transmission electron microscopy, a more than 2-fold increase in overall swelling, as well as its intensification with increasing fluence was observed for HfNbTiZr compared to V-4Cr-4Ti. Combining atomistic calculations and simulations based on the Modified Embedded Atom Method interatomic potential and Density Functional Theory, the energetics of defects and helium-vacancy complexes, as well as their dynamics, were studied for alloys. It was shown that in the HfNbTiZr and dilute vanadium alloys the number of radiation-induced vacancies (<em>v</em>) can be comparable. According to the binding energy curves, there is a tendency for higher He accumulation in helium-vacancy complexes due to the increased He/<em>v</em> ratio in HfNbTiZr compared to V-4Cr-4Ti (∼1.5 <em>versus</em> ∼1.1). It was found that the kick-out of lattice atoms is enhanced in HfNbTiZr and is suppressed in V-4Cr-4Ti. Therefore, the more intense He bubble growth in HfNbTiZr may be due to the kick-out mechanism, which leads to a decrease in the He/<em>v</em> ratio and stimulates helium-vacancy complexes to trap additional He atoms. Our results can be used to improve the bubble swelling resistance in the design of new multicomponent concentrated alloys.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"38 ","pages":"Article 102293"},"PeriodicalIF":3.0,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142720119","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Advancing the understanding of short fatigue crack propagation: Leveraging ultrasonic testing device to approach rolling contact fatigue 加深对短疲劳裂纹扩展的理解：利用超声波测试设备接近滚动接触疲劳

IF 3

Materialia Pub Date : 2024-11-17 DOI: 10.1016/j.mtla.2024.102288

Adrien Didier , Naim Naouar , Geoffray Deterre , Philippe Chaudet , Daniel Nelias

{"title":"Advancing the understanding of short fatigue crack propagation: Leveraging ultrasonic testing device to approach rolling contact fatigue","authors":"Adrien Didier , Naim Naouar , Geoffray Deterre , Philippe Chaudet , Daniel Nelias","doi":"10.1016/j.mtla.2024.102288","DOIUrl":"10.1016/j.mtla.2024.102288","url":null,"abstract":"<div><div>This paper uses ultrasonic testing devices to approach the rolling contact fatigue (RCF) stress state experienced during rolling on an indented surface, in order to understand the primary cause of failures of rolling element bearings in aeronautics. It relies on testing specimens made of M50-VIM/VAR steel while inducing compressive preload. This leads to a localized multi-axial and non-proportional stress field, induced by an artificial surface defect created via electro-discharge machining (EDM). Observations reveal that the surface crack initiation occurs along the EDM beyond <span><math><mrow><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mn>8</mn></mrow></msup></mrow></math></span> cycles, with no shift observed from surface defects to sub-surface defects, as commonly seen in very high cycle fatigue (VHCF) regime. Our analysis suggests that the stress intensity factor range, <span><math><mrow><mi>Δ</mi><mi>K</mi></mrow></math></span>, may govern surface initiation in the VHCF regime, particularly when the formation of fine granular area (FGA) is not feasible. Consequently, under fixed stress conditions, there exists a critical surface defect size below which short crack initiation becomes improbable. These results mirror the behavior usually observed for indentations and thereby connect ultrasonic loading with RCF. Besides, initiations of fatigue butterfly and FGA appear to be associated with VHCF tests, compression, high levels of multi-axial stresses, and the refinement of microstructure at low temperatures. These findings shed light on a potential link between fatigue butterfly and FGAs, attributed to the same underlying cause: cross-slip.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"38 ","pages":"Article 102288"},"PeriodicalIF":3.0,"publicationDate":"2024-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142700375","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

An atomic-level insight in the transition from non-reactive to reactive wetting using molecular dynamics simulation 利用分子动力学模拟从原子层面洞察非反应性润湿向反应性润湿的转变

IF 3

Materialia Pub Date : 2024-11-17 DOI: 10.1016/j.mtla.2024.102291

Ensieh Yousefi, K. Vijay Reddy, Youqing Sun, Miral Verma, Muxing Guo, Nele Moelans, David Seveno

{"title":"An atomic-level insight in the transition from non-reactive to reactive wetting using molecular dynamics simulation","authors":"Ensieh Yousefi, K. Vijay Reddy, Youqing Sun, Miral Verma, Muxing Guo, Nele Moelans, David Seveno","doi":"10.1016/j.mtla.2024.102291","DOIUrl":"10.1016/j.mtla.2024.102291","url":null,"abstract":"<div><div>The intrinsic mechanisms that differentiate between non-reactive wetting and reactive wetting are still unclear. In this work, we have compared reactive and non-reactive wetting systems and made an attempt to explain the factors that contribute to the differences between these systems. In this aspect, we modeled five distinct wetting systems with different levels of reactivity between liquid Al droplet and solid Ni substrates. Results show that interfacial reactions during the reactive wetting cause a local increase of the temperature, a change in the droplet properties such as surface tension and self-diffusion, and in the overall substrate composition. This has led to a lower final contact angle and faster spreading rate, both of which point towards improved wettability due to the interfacial reactions. On the other hand, non-reactive wetting is dominated and controlled through the formation of a precursor film on the substrate. On tuning the reactivity, it was revealed that a competition between dissolution and precursor formation occurs where the former is more dominant with increasing reactivity. This study should aid in a better understanding of the wetting process and the atomic-level mechanism controlling the spreading behavior.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"38 ","pages":"Article 102291"},"PeriodicalIF":3.0,"publicationDate":"2024-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142700378","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

New luminescent solar concentrator windows using PMMA-InP/ZnS Nanohybrid coating films for green building applications 使用 PMMA-InP/ZnS 纳米杂化镀膜的新型发光太阳能聚光窗，适用于绿色建筑应用

IF 3

Materialia Pub Date : 2024-11-10 DOI: 10.1016/j.mtla.2024.102292

Mohammed Alyami , Nada T Mahmoud , Rached Habib , Samah El-Bashir

{"title":"New luminescent solar concentrator windows using PMMA-InP/ZnS Nanohybrid coating films for green building applications","authors":"Mohammed Alyami , Nada T Mahmoud , Rached Habib , Samah El-Bashir","doi":"10.1016/j.mtla.2024.102292","DOIUrl":"10.1016/j.mtla.2024.102292","url":null,"abstract":"<div><div>Green fluorescing PMMA-InP/ZnS nanohybrid coating films were applied onto FTO glass substrates through the traditional spin coating technique for the development of luminescent solar concentrator windows. Examination using transmission electron microscopy (TEM) displayed good morphology and uniform dispersion of InP/ZnS quantum dots (QDs) in PMMA matrix, whereas X-ray diffraction (XRD) indicated the amorphous nature and good adhesion to FTO glass substrate. Investigations of the influence of varying QD concentrations on spectral photophysical characteristics were conducted using techniques such as optical absorption, transmission, fluorescence spectroscopy, and the chromaticity diagram (CIE 1931). The films exhibited good transparency in the visible spectrum, approximately 87 %, with reduced transparency in the near-infrared (NIR) region, approximately 26 %. The films have various shades of green colors closely aligned with the sensitivity of the human eye, as demonstrated by CIE 1931 chromaticity diagram. Skin depth calculations spanning the UV to NIR wavelengths (200-2400 nm) showed a marked decrease in electromagnetic wave penetration correlating with increased InP-ZnS QD concentrations. Fluorescence spectroscopy revealed the highest fluorescence intensity and quantum yield of 71 % for QDs concentration of <span><math><mrow><mn>0.15</mn><mspace></mspace><mi>w</mi><mi>t</mi><mo>%</mo></mrow></math></span> coupled with outstanding photostability properties after exposure to UVA radiation (365 nm) for 72 h. This optimization effectively reduces the infiltration of detrimental solar radiation into buildings, encompassing ultraviolet and infrared wavelengths. The research outcomes are consistent with the objectives of Sustainable Development Goals SDG7 and SDG 11, in sun-drenched regions such as Saudi Arabia, as PMMA-InP/ZnS nanohybrid coating films can be tailored to meet the spectral needs of energy-efficient windows.</div></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"38 ","pages":"Article 102292"},"PeriodicalIF":3.0,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142656463","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0