Special Issue "Multiscale Modeling of Materials and Processes"

A special issue of Metals (ISSN 2075-4701).

Deadline for manuscript submissions: 31 December 2019

Special Issue Editors

Guest Editor
Prof. Mohsen Asle Zaeem

Department of Mechanical Engineering and Materials Science Program, Colorado School of Mines, Golden, Colorado 80401, USA
Website | E-Mail
Interests: Solidification; Phase transformation; Deformation and failure mechanisms; Integrated computational materials engineering; Phase-field modeling; Molecular dynamics simulations; Finite element method; Light-weight metals; Functional materials
Guest Editor
Prof. Garritt J. Tucker

Department of Mechanical Engineering and Materials Science Program, Colorado School of Mines, Golden, Colorado 80401, USA
Website | E-Mail
Interests: Mechanics of Materials; Multiscale Materials Modeling; Nanostructured Materials; Computational Materials Science; Nanomechanics; Deformation and Strengthening Mechanisms; Interfaces; Hierarchical Materials Design; Discovery and Design of Engineering Alloys

Special Issue Information

Dear Colleagues,

This Special Issue solicits articles demonstrating recent advancements in computational models for predicting formation and evolution of nano/microstructures in different manufacturing processes, also their effect on properties and performance of metals and alloys. In several material processing methods, such as casting, welding, and laser additive manufacturing, different nano/microstructures are created by means of solidification or solid state phase transformation, and they also determine the overall properties of the products. Recent advances in computational modeling techniques have made it possible to more effectively study and predict the structure-property-processing relations across many length-scales. This Special Issue solicits articles in the following areas:

  1. Computational modeling at different length scales of solid-liquid interfaces and solidification structures (e.g., dendritic structures).
  2. Computational modeling at different length scales of solid-solid interfaces and solid state phase transformations.
  3. Process simulations and predicting structure-property-processing relations.
  4. Computational modeling studies of defect formation and their effects on mechanical and physical properties of materials.
  5. Experimental studies that effectively verify and validate computational models.

Prof. Mohsen Asle Zaeem
Prof. Garritt J. Tucker
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Metals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1500 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • computational modeling
  • solid-liquid interfaces
  • solidification
  • solid state phase transformations
  • defect formation

Published Papers (3 papers)

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Research

Open AccessArticle
Influence of Intergranular Mechanical Interactions on Orientation Stabilities during Rolling of Pure Aluminum
Metals 2019, 9(4), 477; https://doi.org/10.3390/met9040477
Received: 22 February 2019 / Revised: 22 April 2019 / Accepted: 23 April 2019 / Published: 25 April 2019
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Abstract
Taylor strain principles are widely accepted in current predominant crystallographic deformation theories and models for reaching the necessary stress and strain equilibria in polycrystalline metals. However, to date, these principles have obtained neither extensive experimental support nor sufficient theoretical explanation and understanding. Therefore, [...] Read more.
Taylor strain principles are widely accepted in current predominant crystallographic deformation theories and models for reaching the necessary stress and strain equilibria in polycrystalline metals. However, to date, these principles have obtained neither extensive experimental support nor sufficient theoretical explanation and understanding. Therefore, the validity and necessity of Taylor strain principles is questionable. The present work attempts to calculate the elastic energy of grains and their orientation stabilities after deformation, whereas the stress and strain equilibria are reached naturally, simply and reasonably based on the proposed reaction stress (RS) model without strain prescription. The RS model is modified by integrating normal RS in the transverse direction of rolling sheets into the model. The work hardening effect, which is represented by an effective dislocation distance, is connected with the engineering strength level of metals. Crystallographic rolling texture development in roughly elastic isotropic pure aluminum is simulated based on the modified RS model, whereas orientation positions and peak densities of main texture components, i.e., brass, copper and S texture, can be predicted accurately. RS σ12 commonly accumulates to a high level and features a strong influence on texture formation, whereas RS σ23 and σ31 hardly accumulate and can only promote random texture. Cube orientations can obtain certain stability under the effects of RSs including σ22. A portion of elastic strain energy remains around the grains. This phenomenon is orientation-dependent and connected to RSs during deformation. The grain stability induced by elastic strain energy may influence grain behavior in subsequent recovery or recrystallization. Full article
(This article belongs to the Special Issue Multiscale Modeling of Materials and Processes)
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Open AccessArticle
On the Development of Material Constitutive Model for 45CrNiMoVA Ultra-High-Strength Steel
Metals 2019, 9(3), 374; https://doi.org/10.3390/met9030374
Received: 28 February 2019 / Revised: 19 March 2019 / Accepted: 21 March 2019 / Published: 22 March 2019
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Abstract
For the implementation of simulations for large plastic deformation processes such as cutting and impact, the development of the constitutive models for describing accurately the dynamic plasticity and damage behaviors of materials plays a crucial role in the improvement of simulation accuracy. This [...] Read more.
For the implementation of simulations for large plastic deformation processes such as cutting and impact, the development of the constitutive models for describing accurately the dynamic plasticity and damage behaviors of materials plays a crucial role in the improvement of simulation accuracy. This paper focuses on the dynamic behaviors of 45CrNiMoVA ultra-high-strength torsion bar steel. According to investigation of the Split-Hopkinson pressure bar (SHPB) and Split-Hopkinson tensile bar (SHTB) tests at different strain rate and different temperatures, 45CrNiMoVA ultra-high-strength steel is characterized by strain hardening, strain-rate hardening and thermal softening effects. Based on the analysis on the mechanism of the experimental results and the limitation of classic Johnson-Cook (J-C) constitutive model, a modified J-C model by considering the phase transition at high temperature is established. The multi-objective optimization fitting method was used for fitting model parameters. Compared with the classic J-C constitutive model, the fitting accuracy of the modified J-C model significantly improved. In addition, finite element simulations for SHPB and SHTB based on the modified J-C model are conducted. The SHPB stress-strain curves and the fracture morphology of SHTB samples from simulations are in good agreement with those from tests. Full article
(This article belongs to the Special Issue Multiscale Modeling of Materials and Processes)
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Open AccessArticle
Multiscale Comparison Study of Void Closure Law and Mechanism in the Bimetal Roll-Bonding Process
Metals 2019, 9(3), 343; https://doi.org/10.3390/met9030343
Received: 2 January 2019 / Revised: 12 March 2019 / Accepted: 14 March 2019 / Published: 18 March 2019
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Abstract
The void closure mechanism during the roll-bonding process was investigated using a multiscale approach, which includes contact deformation at the macro-scale and atomic bonding at the micro-scale. The closure process of the voids was observed using roll-bonding tests of 304 stainless steel/Q235 carbon [...] Read more.
The void closure mechanism during the roll-bonding process was investigated using a multiscale approach, which includes contact deformation at the macro-scale and atomic bonding at the micro-scale. The closure process of the voids was observed using roll-bonding tests of 304 stainless steel/Q235 carbon steel. A finite element model was built to simulate the macroscopic deformation process of 304/Q235 material, and a molecular dynamics model established to simulate the deformation process of the microscopic rough peaks. The closure law and mechanism of interface voids at the macro- and micro-scales were studied. The results show that the closure rate of interface voids decreases with the decrease in the average contact stress during the contact deformation process. In the atomic bonding process, the void closure rate is slow in the elastic deformation process. The ordered atoms near the interface become disordered as plastic deformation occurs, which increases the void closure rate and hinders dislocation propagation through the interface, resulting in significant strengthening effects via plastic deformation. Ultimately, a perfect lattice is reconstructed with void healing. In addition, the interface morphology after roll-bonding at the macro scale was determined by the morphology of the 304 steel with larger yield strength ratio, while the interface morphology at the micro-scale was mainly determined by the morphology of the Q235 steel with a higher yield strength. Full article
(This article belongs to the Special Issue Multiscale Modeling of Materials and Processes)
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