Related papers: Twin nucleation in Ti: A study using nudged elasti…
Metastable alloys, such as $\beta$-phase titanium (Ti) alloys with a body-centered cubic (BCC) lattice, can exhibit exceptional mechanical properties through the interplay of multiple deformation mechanisms -- diffusionless phase…
We derive solutions for the twin wall linking two tetragonal variants of the cubic-tetragonal ferroelastic transformation, including for the first time the dilatational and shear energies and strains. Our solutions satisfy the compatibility…
We derive a theory that describes homogeneous nucleation of grain boundary (GB) phases. Our analysis takes account of the energy resulting from the GB phase junction, the line defect separating two different GB structures, which is…
We investigate electron correlation effects in stoichiometric Titanium Nitride (TiN) using a combination of electronic structure and many-body calculations. In a first step, the Nth-order muffin tin orbital technique is used to obtain…
In this work, we apply a phase-field modeling framework to elucidate the interplay between nucleation and kinetics in the dynamic evolution of twinning interfaces. The key feature of this phase-field approach is the ability to transparently…
The kinetics of nucleation of a core-shell composite nucleus that consists of a core of stable final phase surrounded by a wetting layer of intermediate metastable phase is studied using the kinetic theory of binary nucleation not only in…
A general symmetry-controlled mechanism is proposed for realizing dual flat-bands of bound state in the continuum (BIC) and its radiative counterpart in photonic crystal slabs. By breaking the vertical mirror symmetry of slab,…
Three-dimensional (3D) X-ray diffraction methods were used to analyze the evolution of the load-induced rearrangements of monoclinic twin microstructures within bulk nickel-titanium specimens in 3D and across six orders of magnitude in…
Developing a comprehensive understanding of the modification of material properties by neutron irradiation is important for the design of future fission and fusion power reactors. Self-ion implantation is commonly used to mimic neutron…
In this paper, the effect of twin boundaries on the crack growth behaviour of single crystal BCC Fe has been investigated using molecular dynamics simulations. The growth of an atomically sharp crack with an orientation of (111)$<$110$>$…
Understanding the grain boundary deformation dynamics is very crucial to designing materials with stable microstructures. With this quest, the deformation behavior of coherent twin boundary under cyclic shear loading has been studied in…
Molecular dynamics simulations were performed to understand the role of twin boundaries on deformation behaviour of body-centred cubic (BCC) iron (Fe) nanopillars. The twin boundaries varying from one to five providing twin boundary spacing…
The first study of resonances in $^{17}$O+$\alpha$ elastic scattering was carried out using the Thick Target Inverse Kinematics (TTIK) method. The data were analyzed in the framework of an $\textit{R}$-matrix approach. Many $\alpha$-cluster…
This paper is motivated by the complex blister patterns sometimes seen in thin elastic films on thick, compliant substrates. These patterns are often induced by an elastic misfit which compresses the film. Blistering permits the film to…
The assembly of molecular networks into structures such as random tilings and glasses has recently been demonstrated for a number of two-dimensional systems. These structures are dynamically-arrested on experimental timescales so the…
Twisted bilayer graphene (TBG) develops large moir\'e patterns at small twist angles with flat energy bands hosting domes of superconductivity. The large system size and intricate band structure have however hampered investigations into the…
In the presence of ATP, kinesin proceeds along the protofilament of microtubule by alternated binding of two motor domains on the tubulin binding sites. Since the processivity of kinesin is much higher than other motor proteins, it has been…
A detailed reexamination of the (110) surface structure of rutile TiO2 has been carried out using first-principles total-energy methods. This investigation is in response to a recent high-precision LEED-IV measurement revealing certain…
It is well known that the twin boundary (TB) spacing plays an important role in controlling the strength of twinned metallic nanopillars. One of the reasons attributed to this strengthening behaviour is the force exerted by the TBs on…
In recent years, twinned nanopillars have attracted tremendous attention for research due to their superior mechanical properties. However, most of the studies were focused on nanopillars with twin boundaries (TBs) perpendicular to loading…