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A model has been developed which simulates the deformation of single crystal austenitic stainless steels and cap-tures the effects of hydrogen on stress corrosion cracking. The model is based on the crystal plasticity theory which relates…

Materials Science · Physics 2019-10-21 E. I. Ogosi , U. B. Asim , M. A. Siddiq , M. E. Kartal

The crystal plasticity finite element method (CPFEM) is a widely used technique for resolving macroscopic stress and strain onto the physically relevant length scales of grains and slip systems in ductile crystalline materials like…

Materials Science · Physics 2024-02-27 John D. Shimanek , Zi-Kui Liu , Allison M. Beese

The onset of nonlinear effects in metals, such as plasticity and damage, is strongly influenced by the heterogeneous stress distribution at the grain level. This work is devoted to studying the local stress distribution of shear stresses…

Materials Science · Physics 2022-07-26 Flavia Gehrig , Daniel Wicht , Maximilian Krause , Thomas Böhlke

The effect of hydrogen on the fracture behaviour of austenitic stainless steel has been investigated in the past [1][2]. It has been reported that fracture initiates by void formation at inclusions and regions of enhanced strain…

Materials Science · Physics 2019-10-18 Eugene Ogosi , Umair Bin Asim , Amir Siddiq , Mehmet Kartal

Tensile stress relaxation is combined with transmission electron microscopy to reveal dramatic changes in dislocation structure and sub structure in pure alpha iron as a result of the effects of dissolved hydrogen. We find that hydrogen…

Materials Science · Physics 2019-12-20 Peng Gong , Ivaylo H. Katzarov , Anthony T. Paxton , W. Mark Rainforth

In this study, we use discrete dislocation dynamics (DDD) simulation to investigate the effect of heterogeneous dislocation density on the transition between quasi-elastic deformation and plastic flow in face-centered cubic single crystals.…

Materials Science · Physics 2019-07-24 Xu Zhang , Jian Xiong , Haidong Fan , Michael Zaiser

The crystal plasticity finite element method (CPFEM) is used to investigate the coupling between the cylindrical void growth or collapse and grain refinement in face-centered cubic (FCC) single crystals. A 2D plane strain model with one…

Materials Science · Physics 2023-07-06 Saketh Virupakshi , Katarzyna Kowalczyk-Gajewska

This paper reviews the current state-of-the-art in the simulation of the mechanical behavior of polycrystalline materials by means of computational homogenization. The key ingredients of this modelling strategy are presented in detail…

Materials Science · Physics 2018-11-22 J. Segurado , R. A. Lebensohn , J. LLorca

Interface energy and kinetic coefficient of crystal growth strongly depend on the face of the crystalline lattice. To investigate the kinetic anisotropy and velocity of different crystallographic faces we use the hyperbolic (modified) phase…

Materials Science · Physics 2020-04-03 Vladimir Ankudinov , Peter K. Galenko

Elucidating the interplay of stress and geometry is a fundamental scientific question arising in multiple fields. In this work, we investigate the geometric frustration of crystalline caps confined on the sphere in both elastic and plastic…

Soft Condensed Matter · Physics 2022-07-22 Jingyuan Chen , Zhenwei Yao

Plastic deformation of micron-scale crystalline solids exhibits stress-strain curves with significant sample-to-sample variations. It is a pertinent question if this variability is purely random or to some extent predictable. Here we show,…

Disordered Systems and Neural Networks · Physics 2020-01-31 Henri Salmenjoki , Mikko J. Alava , Lasse Laurson

One of the main degradation mechanisms of the zirconium alloys used in nuclear reactors is hydrogen embrittlement and hydride formation. The formation of zirconium hydrides is accompanied by a transformation strain, the effects of which on…

Materials Science · Physics 2023-09-28 Masoud Taherijam , Saiedeh Marashi , Alireza Tondro , Hamidreza Abdolvand

We have employed molecular dynamics simulations based on the TIP4P/2005 water model to investigate the local structural, dynamical, and dielectric properties of the two recently reported body-centered-cubic and face-centered-cubic plastic…

Soft Condensed Matter · Physics 2019-04-03 Ioannis Skarmoutsos , Stefano Mossa , Elvira Guardia

Hydrogen threatens the structural integrity of metals and thus predicting hydrogen-material interactions is key to unlocking the role of hydrogen in the energy transition. Quantifying the interplay between material deformation and hydrogen…

Computational Engineering, Finance, and Science · Computer Science 2025-03-04 A. Díaz , J. M. Alegre , I. I. Cuesta , E. Martínez-Pañeda

Crystal plasticity theory is often employed to predict the mesoscopic states of polycrystalline metals, and is well-known to be costly to simulate. Using a neural network with convolutional layers encoding correlations in time and space, we…

Computational Physics · Physics 2019-10-09 Ari Frankel , Kousuke Tachida , Reese Jones

Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline…

Materials design has traditionally evolved through trial-error approaches, mainly due to the non-local relationship between microstructures and properties such as strength and toughness. We propose 'alloy informatics' as a machine learning…

Materials Science · Physics 2025-04-08 Dario Massa , Efthimios Kaxiras , Stefanos Papanikolaou

In order to improve the understanding of damage evolution in mechanically heterogeneous microstructures, like the ones of dual-phase steels, the influence of the applied stress state is a key element. In this work, we studied the influence…

Materials Science · Physics 2020-06-05 Carl F. Kusche , Felix Pütz , Sebastian Münstermann , Talal Al-Samman , Sandra Korte-Kerzel

The mechanisms of void growth and coalescence are key contributors to the ductile failure of crystalline materials. At the grain scale, single crystal plastic anisotropy induces large strain localization leading to complex shape evolutions.…

Materials Science · Physics 2025-10-20 Jalal Smiri , Joseph Paux , Oguz Umut Salman , Ioan R. Ionescu

Stressed dislocation pattern formation in crystal plasticity at finite deformation is demonstrated for the first time. Size effects are also demonstrated within the same mathematical model. The model involves two extra material parameters…

Materials Science · Physics 2018-12-04 Rajat Arora , Amit Acharya
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