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The nonlinear frequencies of pre-stressed graphene-based structures, such as flat graphene sheets and carbon nanotubes, are calculated. These structures are modeled with a nonlinear hyperelastic shell model. The model is calibrated with…
We develop and demonstrate the first general computational tool for finite deformation static and dynamic dislocation mechanics. A finite element formulation of finite deformation (Mesoscale) Field Dislocation Mechanics theory is presented.…
Non-Hermitian nodal knot metals (NKMs) contains intricate complex-valued energy bands gives rise to knotted exceptional loops and new topological surface states. We introduce a formalism that connects the algebraic, geometric, and…
The ability to manipulate two-dimensional (2D) electrons with external electric fields provides a route to synthetic band engineering. By imposing artificially designed and spatially periodic superlattice (SL) potentials, 2D electronic…
In this chapter, we investigate the bending behavior of a perforated nanobeam subjected to sinusoidal loading using an efficient and computationally robust Physics-Informed Functional Link Constrained Framework with Domain Mapping (DFL-TFC)…
The effect of Mn intercalation on the atomic, electronic and magnetic structure of the graphene/Cu(111) interface is studied using state-of-the-art density functional theory calculations. Different structural models of the…
Topological materials featuring exotic band structures, unconventional current flow patterns, and emergent organizing principles offer attractive platforms for the development of next-generation transformative quantum electronic…
We propose an exact analytical decimation transformation scheme to explore the fascinating coexistence of flat bands and Dirac fermions in three-dimensional coupled kagome systems. Our method allows coarse-graining of the parameter space…
Geometry, whether on the atomic or nanoscale, is a key factor for the electronic band structure of materials. Some specific geometries give rise to novel and potentially useful electronic bands. For example, a honeycomb lattice leads to…
Dynamic shear banding under adiabatic conditions in a mesoscale polycrystalline aggregate is studied using a model of mesoscale dislocation mechanics and experiments. The model involves a length scale related to hardening induced by…
The nature of magnetic order and transport properties near surfaces is a topic of great current interest. Here we model metal-insulator interfaces with a multi-layer system governed by a tight-binding Hamiltonian in which the interaction is…
Spin-memory loss (SML) of electrons traversing ferromagnetic-metal/heavy-metal (FM/HM), FM/normal-metal (FM/NM) and HM/NM interfaces is a fundamental phenomenon that must be invoked to explain consistently large number of spintronic…
Graph-based neural networks and, specifically, message-passing neural networks (MPNNs) have shown great potential in predicting physical properties of solids. In this work, we train an MPNN to first classify materials through density…
We report on a theoretical study of the electronic structures of freestanding nanowires made from narrow band gap semiconductors GaSb, InSb and InAs. The nanowires are described by the eight-band k.p Hamiltonians and the band structures are…
We study the magnon bands of twisted bilayer honeycomb quantum magnets using linear spin wave theory. Although the interlayer coupling can be ferromagnetic or antiferromagnetic, we keep the intralayer one ferromagnetic to avoid possible…
A mechanism is presented that suggests shielded 3-D magnetic perturbations can destabilize microinstabilities and enhance the associated anomalous transport. Using local 3-D equilibrium theory, shaped tokamak equilibria with small 3-D…
Band ferromagnetism in strongly correlated electron systems is one of the most challenging issue in today's condensed-matter physics. In this theoretical work, we study the competition between kinetic term, Coulomb repulsion, and on-site…
Laser machining is a highly flexible non-contact manufacturing technique that has been employed widely across academia and industry. Due to nonlinear interactions between light and matter, simulation methods are extremely crucial, as they…
Colloids dispersed in nematic liquid crystals form topological composites in which colloid-associated defects mediate interactions while adhering to fundamental topological constraints. Better realising the promise of such materials…
The thickness vibrations of a finitely deformed infinite periodic laminate made out of two layers of dielectric elastomers is studied. The laminate is pre-stretched by inducing a bias electric field perpendicular the the layers. Incremental…