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In the context of calling for low carbon emissions, lithium-ion batteries (LIBs) have been widely concerned as a power source for electric vehicles, so the fundamental science behind their manufacturing has attracted much attention in…
We present a finite-element simulation tool for calculating light fields in 3D nano-optical devices. This allows to solve challenging problems on a standard personal computer. We present solutions to eigenvalue problems, like Bloch-type…
The continuous growth in data volume has sparked interest in silicon-organic-hybrid nanophotonic devices integrated into silicon photonic integrated circuits (PICs). SOH devices offer improved speed and energy efficiency compared to silicon…
Electron tomography has become a commonly used tool to investigate the three-dimensional (3D) structure of nanomaterials, including colloidal nanoparticle assemblies. However, electron microscopy is typically carried out under high vacuum…
Parallel finite element algorithms based on object-oriented concepts are presented. Moreover, the design and implementation of a data structure proposed are utilized in realizing a parallel geometric multigrid method. The ParFEMapper and…
Quantitative analysis of microstructural features on the nanoscale, including precipitates, local chemical orderings (LCOs) or structural defects (e.g. stacking faults) plays a pivotal role in understanding the mechanical and physical…
Nanoelectromechanical Systems (NEMS) have emerged as a promising technology for performing the mass spectrometry of large biomolecules and nanoparticles. As nanoscale objects land on NEMS sensor one by one, they induce resolvable shifts in…
Rigorous computer simulations of propagating electromagnetic fields have become an important tool for optical metrology and design of nanostructured optical components. A vectorial finite element method (FEM) is a good choice for an…
Controlled atomic scale fabrication of functional devices is one of the holy grails of nanotechnology. The most promising class of techniques that enable deterministic nanodevice fabrication are based on scanning probe patterning or surface…
Achieving deterministic control over the properties of low-dimensional materials with nanoscale precision is a long-sought goal. Mastering this capability has a transformative impact on the design of multifunctional electrical and optical…
Discrete element modelling (DEM) is one of the most efficient computational approaches to the fracture processes of heterogeneous materials on mesoscopic scales. From the dynamics of single crack propagation through the statistics of crack…
This work introduces an innovative parallel, fully-distributed finite element framework for growing geometries and its application to metal additive manufacturing. It is well-known that virtual part design and qualification in additive…
Quantum-accurate computer simulations play a central role in understanding phase-change materials (PCMs) for advanced memory technologies. However, direct quantum-mechanical simulations are necessarily limited to simplified models,…
This work reports the procedure for modeling piezoelectric acoustic resonators and filters at millimeter wave (mmWave). Different from conventional methods for lower frequency piezoelectric devices, we include both acoustic and…
Analog photonic solutions offer unique opportunities to address complex computational tasks with unprecedented performance in terms of energy dissipation and speeds, overcoming current limitations of modern computing architectures based on…
Despite tremendous progress in the research on self-assembled nanotechnological building blocks such as macromolecules, nanowires, and two-dimensional materials, synthetic self-assembly methods bridging nanoscopic to macroscopic dimensions…
In this paper, the implementation of open-source parallel-version FDTD (Finite-Difference-Time-Domain) software, MEEP, on Texas A&M supercomputers and commercial finite element package, COMSOL, on a single workstation for the design design…
The prediction of upcoming events in industrial processes has been a long-standing research goal since it enables optimization of manufacturing parameters, planning of equipment maintenance and more importantly prediction and eventually…
Linear scaling methods provide total energy, but no energy levels and canonical wavefuctions. From the density matrix computed through the density matrix purification methods, we propose an order-N (O(N)) method for calculating both the…
Modern materials science requires efficient processing and characterization techniques for low dimensional systems. Raman spectroscopy is an important non-destructive tool, which provides enormous information on these materials. This…