Hongbin Liu, Guang Hao Low, Damian S. Steiger, Thomas Häner, Markus Reiher, Matthias Troyer
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 ... hiện toàn bộ
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
control ... hiện toàn bộ
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... hiện toàn bộ
Tero Mäkinen, Markus Ovaska, Lasse Laurson, Mikko J. Alava
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
reducti... hiện toàn bộ
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... hiện toàn bộ
Thomas Hochrainer, Benedikt Weger, Satyapriya Gupta
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... hiện toàn bộ
Gábor Péterffy, Péter D. Ispánovity, Michael E. Foster, Xiaowang Zhou, Ryan B. Sills
The fundamental interactions between an edge dislocation and a random solid
solution are studied by analyzing dislocation line roughness profiles obtained
from molecular dynamics simulations of Fe0.70Ni0.11Cr0.19 over a range of
stresses and temperatures. These roughness profiles reveal the hallmark features
of a depinning transition. Namely, below a temperature-dependent critical
stress, the disl... hiện toàn bộ
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. This model can be directly
incorporated into two-dimensional or three-dimensional discrete dislocation
dynamics simulations, continuum dislocation dynamics simulations, or crystal
plasticity si... hiện toàn bộ
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 are expected to be natural
defects at interface junctions; their presence serving the purpose of
accommodating discontinuities in rotation fields at material interface
junctions. Crystallogr... hiện toàn bộ