M. Pinz, G. Weber, J. Stinville, T. Pollock, Somnath Ghosh
{"title":"A Data-Driven Bayesian Model for Predicting Fatigue Crack Nucleation in Polycrystalline Ni-Based Superalloys","authors":"M. Pinz, G. Weber, J. Stinville, T. Pollock, Somnath Ghosh","doi":"10.2139/ssrn.3878357","DOIUrl":"https://doi.org/10.2139/ssrn.3878357","url":null,"abstract":"This paper develops a Bayesian, probabilistic crack nucleation model in the Ni-based superalloy Ren'e 88DT for fatigue loading. A data-driven, machine learning approach is developed to identify the underlying mechanics driving crack nucleation. An experimental set of fatigue-loaded microstructures is characterized near crack nucleation sites using scanning electron microscopy (SEM) and electron backscatter diffraction (EBSD) images to correlate grain morphology and crystallography to the spatial location of crack nucleation sites. A concurrent multiscale model that embeds polycrystalline microstructures, created from the EBSD images, in a self-consistent homogenized material is developed for low cycle fatigue simulations needed to create a database of state variables. The polycrystalline domain is modeled by a crystal plasticity finite element model (CPFEM), while a homogenized anisotropic plasticity model is used for the exterior domain. A Bayesian classification method is introduced to optimally select the most informative state variable predictors of crack nucleation and constructs a near-Pareto frontier of models with varying complexity. From this principal set of state variables, a simplified scalar crack nucleation indicator is formulated which encompasses all of the relevant components derived from the main discriminators. This Bayesian approach allows the micromechanical state variables responsible for causing crack nucleation events to come out naturally from existing data. The final result is a model that predicts the probability of nucleating a crack at a microstructural location, given the mechanical state of the material.","PeriodicalId":438337,"journal":{"name":"EngRN: Metals & Alloys (Topic)","volume":"39 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129312507","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}
{"title":"Electroplasticity Mechanism Study Based on Dislocation Behavior of Al6061 in Tensile Process","authors":"Xia’nan Li, Zhutian Xu, Linfa Peng, X. Lai","doi":"10.2139/ssrn.3878340","DOIUrl":"https://doi.org/10.2139/ssrn.3878340","url":null,"abstract":"The effects of electric current on dislocation motion is the fundamental mechanism for the electroplastic effect. The difficulty of the research lies in how to design macro-experiments that can reflect the micro-evolution mechanism of dislocations. As a macroscopic manifestation of the interaction between dislocations and interstitial atoms, the Portevin-le Chateliar (PLC) effect provides a satisfying entry point for solving the above problems. Experiments of Al6061 in tensile process show that the current causes an increase of the pinning strength and a reduction of the time for dislocations to escape from the pinning. Further microscopic characterization reveals that the current leads to the dissolution of the precipitated phase and promotes the dislocation motion by activating the second slip system. Those changes are closely related to the thermal and athermal effects of the current. Based on the observation results in this paper, the contradictions in the existing literature can be well explained.","PeriodicalId":438337,"journal":{"name":"EngRN: Metals & Alloys (Topic)","volume":"114 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125686058","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}
{"title":"In situ Transmission Electron Microscopy Investigation of Nucleation of GP Zones Under Natural Aging in Al-Zn-Mg Alloy","authors":"A. Chatterjee, L. Qi, A. Misra","doi":"10.2139/ssrn.3862295","DOIUrl":"https://doi.org/10.2139/ssrn.3862295","url":null,"abstract":"This investigation reveals very early-stage (within an hour) precipitation during natural-aging of Al-Zn-Mg alloy can have very complex processes with strong fluctuations in precipitate types and formation mechanisms. In situ heating followed by quenching and subsequent natural-aging at room temperature was carried inside transmission electron microscope to study the formation and evolution of early-stage precipitation. Investigation reveals formation of solute clusters at ~2 mins and subsequent nucleation of GP-II zone adjacent to clusters at ~10 mins during very early-stage natural-aging. Moreover, nucleation of GP-II is found to be related to GP-I but not in one unique mechanism. GP-I precipitates were observed to act as sites for the formation of GP-II either by ‘separated’ nucleation (i.e. from the interface between GP-I and Al matrix) or via in situ nucleation (i.e. within a GP-I precipitate). Occasionally, some GP-II precipitates were observed to dissolve into Al matrix without further transforming to ƞ՛ precipitates.","PeriodicalId":438337,"journal":{"name":"EngRN: Metals & Alloys (Topic)","volume":"23 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125242618","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}
Zerong Yang, R. Al-Mukadam, M. Stolpe, M. Markl, J. Deubener, C. Körner
{"title":"Isothermal Crystallization Kinetics of an Industrial-Grade Zr-Based Bulk Metallic Glass","authors":"Zerong Yang, R. Al-Mukadam, M. Stolpe, M. Markl, J. Deubener, C. Körner","doi":"10.2139/ssrn.3817902","DOIUrl":"https://doi.org/10.2139/ssrn.3817902","url":null,"abstract":"Abstract Bulk metallic glasses (BMGs), due to their amorphous structure, exhibit remarkable mechanical properties, and there is an increasing interest in their commercialization. For the industrial fabrication of BMG, knowledge about the isothermal crystallization kinetics of industrial-grade BMG is required. Previous investigations on isothermal crystallization kinetics are mainly based on high-purity samples with very good glass forming ability and/or mainly limited to the low temperature regime. In the present study, a systematic investigation on the isothermal crystallization kinetics of an industrial-grade Zr-based BMG (Zr 59.3 Cu 28.8 Al 10.4 Nb 1.5 at.%, trade name: AMZ4) has been performed using conventional and flash differential scanning calorimetry. We report the time-temperature-transformation (TTT) diagrams of the AMZ4 with two different oxygen levels. The diagrams cover the temperature range from glass transition temperature up to liquidus temperature, that have the typical “C-shaped” noses. Faster crystallization of the higher oxygen level AMZ4 was observed, and the underlying mechanisms were investigated. The universal isothermal Johnson-Mehl-Avrami-Kolmogorov (JMAK) model was employed to model the isothermal crystallization kinetics. Satisfactory match was achieved between the experimental facts and the JMAK model, and the interfacial energies between the crystalline phase and liquid were determined as ∼ 0.04 J/ m 2 for the industrial-grade AMZ4. The crystallization fraction dependence of Avrami index and activation energy is studied and found to be neglectable in the JMAK modeling. The critical casting thicknesses were estimated based on the TTT diagrams.","PeriodicalId":438337,"journal":{"name":"EngRN: Metals & Alloys (Topic)","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130672738","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}
LingLin Zhou, Qi Wang, Jing Wang, Xuefei Chen, P. Jiang, Hao Zhou, F. Yuan, Xiaolei Wu, Zhiying Cheng, E. Ma
{"title":"Atomic-Scale Evidence of Chemical Short-Range Order in CrCoNi Medium-Entropy Alloy","authors":"LingLin Zhou, Qi Wang, Jing Wang, Xuefei Chen, P. Jiang, Hao Zhou, F. Yuan, Xiaolei Wu, Zhiying Cheng, E. Ma","doi":"10.2139/ssrn.3885863","DOIUrl":"https://doi.org/10.2139/ssrn.3885863","url":null,"abstract":"High (or medium)-entropy alloys (H/MEAs) are complex concentrated solid solutions that may develop chemical short-range order (CSRO). In this regard, CrCoNi, the prototypical face-centered-cubic MEA, has recently kindled a debate in the H/MEA community, as it is uncertain if CSRO can possibly form in such a multi-principal-element solution, where no equilibrium or metastable intermetallic compounds have ever been seen or predicted. To answer this challenging question, here we present firm experimental evidence for the CSRO from electron diffraction as well as atomic-resolution chemical mapping, particularly under an appropriate zone axis. We also develop a methodology to reliably determine the locations of atomic columns from the line scan profiles in the chemical maps, as well as a quantitative covariance-based correlation analysis of the column chemical compositions to reveal the spatial correlations between various atomic pairs. The detailed chemical information affirms the tendency for like-pair avoidance and unlike-pair preference, specifies the preferred atomic packing and plane stacking by the three constituent species, and suggests a proposed atomic configuration that constitutes the CSRO motif. The fraction of CSRO regions is moderately lowered after either plastic deformation or high-temperature heating. A comparison is also discussed with previous endeavor identifying CSRO in H/MEAs.","PeriodicalId":438337,"journal":{"name":"EngRN: Metals & Alloys (Topic)","volume":"36 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126918445","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}
{"title":"Phase-Field Investigation on the Peritectic Transition in Fe-C System","authors":"Y. Cai, Fei Wang, Zihan Zhang, B. Nestler","doi":"10.2139/ssrn.3777626","DOIUrl":"https://doi.org/10.2139/ssrn.3777626","url":null,"abstract":"Abstract We adopt a thermodynamically consistent multi-phase, multi-component phase-field model to investigate the morphological evolution of peritectic transition in carbon steel though 2-D and 3-D simulations. By using phase-field method, we rationalize the peritectic solidification in both 2-D and 3-D simulations under different liquid supersaturations as well as on the δ particle with distinct microstructures. Through the comparison between 2-D and 3-D simulation results, we clarify the reason for the different growth rate of γ phase in two and three dimensions. In 3-D simulation, we observe the unequal growth rate of γ phase in radial and axis directions. In addition, a novel measurement method is proposed to determine the dynamic contact angle. We anticipate that the simulation results can be applied to interpret the isothermal peritectic transition with a liquid supersaturation in alloys.","PeriodicalId":438337,"journal":{"name":"EngRN: Metals & Alloys (Topic)","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131344134","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}
Hongxiang Chen, Sheng Li, S. Huang, Lian Ma, Shengpeng Liu, Fa-Fen Tang, Yong Fang, P. Dai
{"title":"High-Entropy Structure Design in Layered Transition Metal Dichalcogenides","authors":"Hongxiang Chen, Sheng Li, S. Huang, Lian Ma, Shengpeng Liu, Fa-Fen Tang, Yong Fang, P. Dai","doi":"10.2139/ssrn.3906845","DOIUrl":"https://doi.org/10.2139/ssrn.3906845","url":null,"abstract":"Layered high-entropy compounds have been attracting a lot of attention in recent times due to their potential application in energy storage and conversion. Generally, an intra-layer scheme is widely used to realize the high-entropy structure by introducing multi-principal elements into the metal-atomic layers. Here, we propose an intercalation high-entropy scheme to realize the high-entropy structure in a series of layered transition metal dichalcogenides with a general chemical formula of MX2. Multi-principal metal elements are intercalated into the van-der-Waals gaps between MX2 slabs resulting in a series of (HEM)xMX2 compounds, in which HEM is high-entropy metals mainly composed of 3d transition metal elements such as Fe0.2Co0.2Cr0.2Ni0.2Mn0.2. Moreover, three kinds of 2D high-entropy magnetic lattices (a0 × a0, √3a0 × a0, √3a0 × √3a0) in the intercalated layers are found by tuning the intercalation content x. Significant differences in the effective moment and spin frustration among them are revealed. Furthermore, a multi-layered high-entropy structure is realized by a combination of intra-layer and intercalation schemes. The new intercalation high-entropy scheme and versatile 2D high-entropy structures reported in this work will reinforce the spirit on the exploration of new low-dimensional high-entropy systems for future applications.","PeriodicalId":438337,"journal":{"name":"EngRN: Metals & Alloys (Topic)","volume":"147 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123267566","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}
{"title":"Excavation and Analysis of a 31 MW SiMn-furnace at Eramet Kvinesdal","authors":"Eirik Nordbø, Sigurd Øvrelid, Eline Gridset","doi":"10.2139/ssrn.3926113","DOIUrl":"https://doi.org/10.2139/ssrn.3926113","url":null,"abstract":"The production of SiMn occurs inside a closed furnace at very high temperatures below several hundred tons of charge. Once a SiMn-furnace reaches its end-of-life an opportunity is given for the investigation of the furnace interior. This paper presents the excavation of a 31 MW SiMn-furnace and the following analysis of collected samples. Samples were analysed using SEM & EDSand XRF. The obtained results show large accumulations of carbides and nitrides in both active and inactive regions of the furnace. Additionally, a substantial amount of alkalis was observed. By using the results from the sample analysis, a sketch of the furnace interior is presented together with a description of the different regions.","PeriodicalId":438337,"journal":{"name":"EngRN: Metals & Alloys (Topic)","volume":"674 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"113982178","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}
{"title":"Effect of Alloying Elements on the Hydrogen Diffusion and Trapping in High Entropy Alloys","authors":"S. C. Marques, A. V. Castilho, D. D. dos Santos","doi":"10.2139/ssrn.3779736","DOIUrl":"https://doi.org/10.2139/ssrn.3779736","url":null,"abstract":"Abstract The effect of the concentration of alloy elements on hydrogen diffusivity and trapping for two high-entropy alloys: Fe20Mn20Ni20Co20Cr20 and Fe22Mn40Ni30Co6Cr2, were investigated. Hydrogen diffusivity as a function of temperature (300-550°C) was obtained from gas permeation tests for both alloys. A sigmoidal behavior was observed for both face-centered cubic alloys, following the solution of Fick's Second Law. The variation in diffusivity as a function of temperature is given by the following equations: D = 4.3 x 10 − 7 exp ( − 51.7 k J / m o l R T ) and D = 2.8 x 10 − 8 exp ( − 30.5 k J / m o l R T ) for the equiatomic and non-equiatomic alloys, respectively. The results from first-principles simulations show that the difference in diffusivity can be mainly attributed to the decrease in Cr, which has a strong interaction with hydrogen when in solid solution. A comparison of HEA with traditional steels as a function of Cr % reinforces this analysis.","PeriodicalId":438337,"journal":{"name":"EngRN: Metals & Alloys (Topic)","volume":"6 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115953771","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}
Y. Shiihara, Ryosuke Kanazawa, D. Matsunaka, I. Lobzenko, T. Tsuru, M. Kohyama, H. Mori
{"title":"Artificial Neural Network Molecular Mechanics of Iron Grain Boundaries","authors":"Y. Shiihara, Ryosuke Kanazawa, D. Matsunaka, I. Lobzenko, T. Tsuru, M. Kohyama, H. Mori","doi":"10.2139/ssrn.3881303","DOIUrl":"https://doi.org/10.2139/ssrn.3881303","url":null,"abstract":"This study reports grain boundary (GB) energy calculations for 46 symmetric-tilt GBs in α-iron using molecular mechanics based on an artificial neural network (ANN) potential and compares the results with calculations based on the density functional theory (DFT), the embedded atom method (EAM), and the modified EAM (MEAM). The results by the ANN potential are in excellent agreement with those of the DFT (5 % on average), while the EAM and MEAM significantly differ from the DFT results (about 27 % on average). In a uniaxial tensile calculation of Σ3(1‾12) GB, the ANN potential reproduced the brittle fracture tendency of the GB observed in the DFT while the EAM and MEAM showed mistakenly showed ductile behaviors. These results demonstrate the effectiveness of the ANN potential in grain boundary calculations of iron as a fast and accurate simulation highly in demand in the modern industrial world.","PeriodicalId":438337,"journal":{"name":"EngRN: Metals & Alloys (Topic)","volume":"12 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2021-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127953907","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}