Materials Theory
2509-8012
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Các bài báo tiêu biểu
Prospects of quantum computing for molecular sciencesAbstract Molecular science is governed by the dynamics of electrons and atomic nuclei, and by their interactions with electromagnetic fields. A faithful physicochemical understanding of these processes is crucial for the design and synthesis of chemicals and materials of value for our society and economy. Although some problems in this field can be adequately addres... ...
Tập 6 Số 1
Quantum cluster algorithm for data classificationAbstract We present a quantum algorithm for data classification based on the nearest-neighbor learning algorithm. The classification algorithm is divided into two steps: Firstly, data in the same class is divided into smaller groups with sublabels assisting building boundaries between data with different labels. Secondly we construct a quantum circuit for classifica... ...
Tập 5 Số 1
Mechanics of moving defects in growing sheets: 3-d, small deformation theoryAbstract Growth and other dynamical processes in soft materials can create novel types of mesoscopic defects including discontinuities for the second and higher derivatives of the deformation, and terminating defects for these discontinuities. These higher-order defects move “easily", and can thus confer a great degree of flexibility to the material. We develop a ge... ...
Tập 4 Số 1 - 2020
Portevin–Le Chatelier effect: modeling the deformation bands and stress-strain curves Abstract In the Portevin–Le Chatelier (PLC) effect sample plastic deformation takes place via localized bands. We present a model to account for band dynamics and the variability the bands exhibit. The approach is tuned to account for strain hardening and the strain-rate dependence for the case of so-called type A (propagating) bands. The main experimental features ... ...
Relating plasticity to dislocation properties by data analysis: scaling vs. machine learning approachesAbstract Plasticity modelling has long relied on phenomenological models based on ad-hoc assumption of constitutive relations, which are then fitted to limited data. Other work is based on the consideration of physical mechanisms which seek to establish a physical foundation of the observed plastic deformation behavior through identification of isolated defect proce... ...
Tập 7 Số 1
Making sense of dislocation correlationsAbstract Since crystal plasticity is the result of moving and interacting dislocations, it seems self-evident that continuum plasticity should in principle be derivable as a statistical continuum theory of dislocations, though in practice we are still far from doing so. One key to any statistical continuum theory of interacting particles is the consideration of spat... ...
- 2022
Erratum to: a novel model of third phase inclusions on two phase boundaries
Tập 1 - Trang 1-1 - 2017
Theoretical basis for phase field modeling of polycrystalline grain growth using a spherical-Gaussian-based 5-D computational approach
Tập 6 - Trang 1-15 - 2022
Using a previously developed phase field modeling method, where interface energies are described by spherical gaussians that allow the modeling of complex anisotropies, a new phase field model was developed to model 5-D anisotropy in polycrystalline grain growth. We present the use of quaternions, assigned to individual grains as orientations and misorientations for grain boundaries, as a means of......
Stability and symmetry of ion-induced surface patterning
Tập 1 - Trang 1-23 - 2017
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 the damped Kuramoto-Sivashinsky (KS) equation of non-linear dynamics. Linear and non-linear stability analyses of the evolution equation give estimates of the emerging pattern wavelength and s......
Correction: Constant-depth circuits for dynamic simulations of materials on quantum computers
Tập 6 - Trang 1-1 - 2022