Materials Theory
2509-8012
Cơ quản chủ quản: N/A
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Prospects of quantum computing for molecular sciences
Tập 6 Số 1
AbstractMolecular 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 addressed by classical
mechanics, many ...
Quantum cluster algorithm for data classification
Tập 5 Số 1
AbstractWe 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 classification that contains multi
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Mechanics of moving defects in growing sheets: 3-d, small deformation theory
Tập 4 Số 1 - 2020
AbstractGrowth 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 general continuum
mechanical framew...
Portevin–Le Chatelier effect: modeling the deformation bands and stress-strain curves
AbstractIn 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 of the fluctuations are a
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Relating plasticity to dislocation properties by data analysis: scaling vs. machine learning approaches
Tập 7 Số 1
AbstractPlasticity 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 processes (’mechanisms’) which are
obs...
Making sense of dislocation correlations
- 2022
AbstractSince 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 spatial correlations.
However, becaus...
Mixed-mode growth of a multicomponent precipitate in the quasi-steady state regime
Tập 2 - Trang 1-14 - 2018
An exact analytical solution of the Fick’s second law was developed and applied
to the mixed-mode growth of a multicomponent ellipsoidal precipitate growing
with constant eccentricities in the quasi-stationary regime. The solution is
exact if the nominal composition, equilibrium concentrations and material
properties are assumed constant, and can be applied to compounds having no
limitations in th...
The Green tensor of Mindlin’s anisotropic first strain gradient elasticity
Tập 3 - Trang 1-16 - 2019
We derive the Green tensor of Mindlin’s anisotropic first strain gradient
elasticity. The Green tensor is valid for arbitrary anisotropic materials, with
up to 21 elastic constants and 171 gradient elastic constants in the general
case of triclinic media. In contrast to its classical counterpart, the Green
tensor is non-singular at the origin, and it converges to the classical tensor a
few charact...
Probing the transition from dislocation jamming to pinning by machine learning
- 2020
Collective motion of dislocations is governed by the obstacles they encounter.
In pure crystals, dislocations form complex structures as they become jammed by
their anisotropic shear stress fields. On the other hand, introducing disorder
to the crystal causes dislocations to pin to these impeding elements and, thus,
leads to a competition between dislocation-dislocation and dislocation-disorder
in...
Tính toán ứng suất bề mặt cho các hạt nano và lỗ rỗng trong nhôm, silicon và sắt: ảnh hưởng của áp suất và tính hợp lệ của phương trình Young-Laplace Dịch bởi AI
Tập 5 - Trang 1-18 - 2021
Nghiên cứu này được dành riêng cho việc xác định năng lượng bề mặt và ứng suất
của hạt nano và lỗ rỗng trong sự hiện diện của áp suất, và để đánh giá độ chính
xác của phương trình Young-Laplace cho các hệ thống này. Các quy trình được đề
xuất để trích xuất các đại lượng đó từ các tính toán tiềm năng liên nguyên tử cổ
điển, được thực hiện cho ba vật liệu khác nhau: nhôm, silicon và sắt. Các cuộc
đi...
#ứng suất bề mặt #hạt nano #lỗ rỗng #nhôm #silicon #sắt #phương trình Young-Laplace #năng lượng bề mặt #áp suất