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Reducing the intensity of wind excitation via aerodynamic shape modification is a major strategy to mitigate the reaction forces on supertall buildings, reduce construction and maintenance costs, and improve the comfort of future occupants.…
Lattice-skin structures composed of a thin-shell skin and a lattice infill are widespread in nature and large-scale engineering due to their efficiency and exceptional mechanical properties. Recent advances in additive manufacturing, or 3D…
In reliability engineering, we need to understand system dependencies, cause-effect relations, identify critical components, and analyze how they trigger failures. Three prominent graph models commonly used for these purposes are fault…
We perform density functional theory calculations on a series of armchair and zigzag nanotubes of diameters less than 1nm using the all-electron Full-Potential(-Linearised)-Augmented-Plane-Wave (FPLAPW) method. Emphasis is laid on the…
Recently, a new connection between density functional theory and kinetic theory has been proposed. In particular, it was shown that the Kohn-Sham (KS) equations can be reformulated as a macroscopic limit of the steady-state solution of a…
A lattice is a partially-ordered set in which every pair of elements has a unique meet (greatest lower bound) and join (least upper bound). We present new data structures for lattices that are simple, efficient, and nearly optimal in terms…
A three-dimensional Multiphysics Lattice Discrete Particle Model (M-LDPM) framework is formulated to investigate the fracture permeability behavior of shale. The framework features a dual lattice system mimicking the mesostructure of the…
High-precision 3D printing technology opens to almost endless opportunities to design complex shapes present in tailored architected materials. The scope of this work is to review the latest studies regarding 3D printed lattice structures…
We introduce Effective Atom Theory (EAT), a framework that transforms combinatorial materials design into a smooth, gradient-driven optimization within density functional theory (DFT). Atoms are represented as probabilistic mixtures of…
In this study, we investigate experimentally and numerically the mode I intra-laminar fracture and size effect of Discontinuous Fiber Composites (DFCs) as a function of the structure thicknesses. By testing geometrically-scaled Single Edge…
Lattice-type structures can provide a combination of stiffness with light weight that is desirable in a variety of applications. Design optimization of these structures must rely on approximations of the governing physics to render solution…
The Hubbard model is investigated in the framework of lattice density functional theory (LDFT). The single-particle density matrix $\gamma_{ij}$ with respect the lattice sites is considered as the basic variable of the many-body problem. A…
The properties of electrons in matter are of fundamental importance. They give rise to virtually all molecular and material properties and determine the physics at play in objects ranging from semiconductor devices to the interior of giant…
Low lattice thermal conductivity is essential for high thermoelectric performance of a material. Lattice thermal conductivity is often computed using density functional theory (DFT), typically at a high computational cost. Training machine…
We investigate quantum transport in aligned carbon nanotube (CNT) fibers fabricated via solution spinning, focusing on the roles of structural dimensionality and quantum interference effects. The fibers exhibit metallic behavior at high…
The deployment of transformer-based models on resource-constrained edge devices represents a critical challenge in enabling real-time artificial intelligence applications. This comprehensive survey examines lightweight transformer…
We propose a method for crystal structure prediction based on a new structure generation algorithm and on-lattice machine learning interatomic potentials. Our algorithm generates the atomic configurations assigning atomic species to sites…
Designs and methods for nested lattice codes using Construction D' lattices for coding and convolutional code lattices for shaping are described. Two encoding methods and a decoding algorithm for Construction D' coding lattices that can be…
A simplified density functional theory (DFT) method for charged adsorbates on an ultrathin, insulating film supported by a metal substrate is developed and presented. This new method is based on a previous DFT development that uses a…
This paper presents the formulation and results for a control-aware optimization of the combined geometric and structural design of an energy-harvesting underwater kite. Because kite-based energy-harvesting systems, both airborne and…