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  1. One of the most intriguing phenomena under radiation is the self-organization of defects, such as the void superlattices, which have been observed in a list of bcc and fcc metals and alloys when the irradiatio...

    Authors: Yongfeng Zhang, Yipeng Gao, Cheng Sun, Daniel Schwen, Chao Jiang and Jian Gan

    Citation: Materials Theory 2020 4:4

    Content type: Original Article

    Published on:

  2. An efficient and accurate approach for calculating exact exchange and other two-electron integrals has been developed for periodic electronic structure methods. Traditional approaches used for integrating over...

    Authors: Eric J Bylaska, Kevin Waters, Eric D Hermes, Judit Zádor and Kevin M Rosso

    Citation: Materials Theory 2020 4:3

    Content type: Original Article

    Published on:

  3. A theoretical model for computing the interstitial solute concentration and the interstitial solute-induced stress field in a three-dimensional finite medium with any arbitrary elastic fields was developed. Th...

    Authors: Yejun Gu and Jaafar A. El-Awady

    Citation: Materials Theory 2020 4:1

    Content type: Original Article

    Published on:

  4. Crack initiation emerges due to a combination of elasticity, plasticity, and disorder, and it displays strong dependence on the material’s microstructural details. The characterization of the structural uncert...

    Authors: S. Papanikolaou, P. Shanthraj, J. Thibault, C. Woodward and F. Roters

    Citation: Materials Theory 2019 3:5

    Content type: Original article

    Published on:

  5. Macroscopic properties of structural materials are strongly dependent on their microstructure. However, the modeling of their evolution is a complex task because of the mechanisms involved such as plasticity, ...

    Authors: Carolina Baruffi, Alphonse Finel, Yann Le Bouar, Brigitte Bacroix and Oguz Umut Salman

    Citation: Materials Theory 2019 3:4

    Content type: Original article

    Published on:

  6. A mesoscale model is introduced to study the dynamics of material defects lying at interface junctions. The proposed framework couples the dynamics of discrete dislocation and disclination lines. Disclinations...

    Authors: Laurent Capolungo and Vincent Taupin

    Citation: Materials Theory 2019 3:2

    Content type: Original article

    Published on:

  7. We explore new ways of regulating defect behavior in systems of conservation laws. Contrary to usual regularization schemes (such as a vanishing viscosity limit), which attempt to control defects by making the...

    Authors: Hunter Swan, Woosong Choi, Stefanos Papanikolaou, Matthew Bierbaum, Yong S. Chen and James P. Sethna

    Citation: Materials Theory 2018 2:5

    Content type: Original article

    Published on:

  8. Continuum dislocation dynamics (CDD) aims at representing the evolution of systems of curved and connected dislocation lines in terms of density-like field variables. Here we discuss how the processes of dislo...

    Authors: Mehran Monavari and Michael Zaiser

    Citation: Materials Theory 2018 2:3

    Content type: Original article

    Published on:

  9. The standard way of modeling plasticity in polycrystals is by using the crystal plasticity model for single crystals in each grain, and imposing suitable traction and slip boundary conditions across grain boun...

    Authors: Nikhil Chandra Admal, Giacomo Po and Jaime Marian

    Citation: Materials Theory 2017 1:6

    Content type: Original Article

    Published on:

  10. We present a continuum model of ion-induced surface patterning. The model incorporates the atomic processes of sputtering, re-deposition and surface diffusion, and is shown to display the generic features of t...

    Authors: Christopher S. R. Matthes, Nasr M. Ghoniem and Daniel Walgraef

    Citation: Materials Theory 2017 1:5

    Content type: Original Article

    Published on:

  11. A new computationally efficient model of an included phase located at the interface between two other phases is developed by projecting the boundaries of the inclusion onto the boundary between the two other p...

    Authors: Andrew A. Prudil and Michael J. Welland

    Citation: Materials Theory 2017 1:4

    Content type: Original Article

    Published on:

    The Erratum to this article has been published in Materials Theory 2017 1:7

  12. Cracks are created by massive breakage of molecular or atomic bonds. The latter, in its turn, leads to the highly localized loss of material, which is the reason why even closed cracks are visible by a naked e...

    Authors: K. Y. Volokh

    Citation: Materials Theory 2017 1:3

    Content type: RAPID COMMUNICATION

    Published on:

  13. The purpose of the current work is the formulation of models for conservative and non-conservative dynamics in solid systems with the help of the General Equation for the Non-Equilibrium Reversible-Irreversibl...

    Authors: Markus Hütter and Bob Svendsen

    Citation: Materials Theory 2017 1:2

    Content type: Original Article

    Published on:

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