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Heavy-ion collisions can be simulated by means of comprehensive approaches, to include the many different reaction mechanisms which may contribute. QMD models and their relativistic extensions are examples of these approaches based on Monte…
Computer simulations are becoming an essential tool in many scientific fields from molecular dynamics to aeronautics. In glaciology, future predictions of sea level change require input from ice sheet models. Due to uncertainties in the…
Multivariate or multichannel data have become ubiquitous in many modern scientific and engineering applications, e.g., biomedical engineering, owing to recent advances in sensor and computing technology. Processing these data sets is…
The capacity to predict and control bioprocesses is perhaps one of the most important objectives of biotechnology. Computational simulation is an established methodology for the design and optimization of bioprocesses, where the finite…
Microstructural properties of thin-film absorber layers play a vital role in developing high-performance solar cells. Scanning probe microscopy is frequently used for measuring spatially inhomogeneous properties of thin-film solar cells.…
Structural defects in 2D-transition metal dichalcogenides are critical in modulating their optical and electrical behavior. Nevertheless, precise defect control within the monolayer regime poses a significant challenge. Herein, a…
Purpose - This paper presents a first step toward developing a comprehensive methodology for fully resolved numerical simulations of fusion deposition modeling. Design/methodology/approach - A front-tracking/finite volume method previously…
We present a novel multi-scale embedding scheme that links conventional QM/MM embedding and bootstrap embedding (BE) to allow simulations of large chemical systems on limited quantum devices. We also propose a mixed-basis BE scheme that…
Near- and far-field optical properties of silicon nanostructures under linear polarization (Gaussian beam), and azimuthally or radially focused cylindrical vector beams are investigated by finite-difference time-domain method (FDTD) in Meep…
An open source two-dimensional (2D) thermal finite element (FE) model of the Directed Energy Deposition (DED) process is developed using the Python-based FEniCS framework. The model incrementally deposits material ahead of the laser focus…
We present an in-depth analysis of a single-electron box (SEB) biased through a floating node technique that is common in charge-coupled devices (CCDs). The device is analyzed and characterized in the context of single-electron…
In the present work we report about a parallel-processing ion beam fabrication technique whereby high-density sub-superficial graphitic microstructures can be created in diamond. Ion beam implantation is an effective tool for the structural…
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
Nanostructures have become an attractive subject due to many applications, particularly the photonic bandgap effect observed in photonic crystals. Nevertheless, the fabrication of such structures remains a challenge because of accurate…
Realizing active metasurfaces with substantial tunability is important for many applications but remains challenging due to difficulties in dynamically tuning light-matter interactions at subwavelength scales. Here, we introduce reversible…
We treat the accurate simulation of the calcination reaction in particles, where the particles are large and, thus, the inner-particle processes must be resolved. Because these processes need to be described with coupled partial…
We present a technique to embed information invisible to the eye inside 3D printed objects. The information is integrated in the object model, and then fabricated using off-the-shelf dual-head FDM (Fused Deposition Modeling) 3D printers.…
Resonant absorption imaging is a common technique for detecting the two-dimensional column density of ultracold atom systems. In many cases, the system's thickness along the imaging direction greatly exceeds the imaging system's depth of…
A new method of controllable injection to generate high quality electron bunches in the nonlinear blowout regime driven by electron beams is proposed and demonstrated using particle-in-cell simulations. Injection is facilitated by…
Focused ion beam (FIB) has been used as an effective tool for precise nanoscale fabrication. It has recently been employed to tailor defect engineering in functional nanomaterials such as two-dimensional transition metal dichalcogenides…