Conventional computational approaches for modeling defects face difficulties when applied
to complex materials, mainly due to the vast configurational space of defects. In this …

HfO 2-based thin films have raised considerable interest in ferroelectric memory devices due
to their thickness scalability and process compatibility with CMOS. Stress exhibits a …

Phase instability poses a serious challenge to the commercialization of formamidinium lead
iodide (FAPbI3)-based solar cells and optoelectronic devices. Here, we combine density …

Precipitation via thermal treatments is among the most effective approaches to strengthening
and is widely applied in the Al industry. Thermal treatments combined with deformation are …

Gradient nanostructured (GNS) metallic materials are commonly achieved by gradient
severe plastic deformation with a gradient of nano-to micro-sized structural units from the …

Recently, the all-d-metal Ni (Co) MnTi based Heusler compounds are found to have a giant
magnetocaloric effect (GMCE) near room temperature and manifest different functionalities …

The design of novel materials requires a theoretical understanding of dynamical processes
in the solid state, including polymorphic transitions and associated pathways. The …

The continuous development of hydrogen-permeation barriers (HPB) based on metal
nitrides highly desires a generic unification of the key thermodynamic and kinetic …

The e-beam irradiation effect is investigated on mechanically alloyed Y 2 O 3-Al6061
composites with different reinforcement ratios (0.25, 2, 6% wt.). Uniform dispersion of …

The electronic structure, transport properties and magnetic properties of the material can be
adjusted by regulating the formation and concentration of anionic vacancies. In particular …