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The most direct definition of a patterning process' resolution is the smallest half-pitch feature it is capable of transferring onto the substrate. Here we demonstrate that thermal Scanning Probe Lithography (t-SPL) is capable of…
Computer model calibration typically operates by choosing parameter values in a computer model so that the model output faithfully predicts reality. By using performance targets in place of observed data, we show that calibration techniques…
Surface roughness plays a crucial role in the accuracy of indentation experiments used to measure the elastic properties of materials. In this study, we present a computational analysis of how surface roughness, represented explicitly by…
Flux2D commercial software together with a Gleeble thermomechanical simulator has been employed to numerically and physically simulate the material properties profile of an induction hardened slurry transportation pipe made of a recently…
Constructing a quantum description of crystals from scattering experiments is of paramount importance to explain their macroscopic properties and to evaluate the pertinence of theoretical ab-initio models. While reconstruction methods of…
In a lot of scientific problems, there is the need to generate data through the running of an extensive number of experiments. Further, some tasks require constant human intervention. We consider the problem of crack detection in steel…
The simulation and analysis of the thermal stability of nanoparticles, a stepping stone towards their application in technological devices, require fast and accurate force fields, in conjunction with effective characterisation methods. In…
High-throughput ab-initio calculations, cluster expansion techniques and thermodynamic modeling have been synergistically combined to characterize the binodal and the spinodal decompositions features in the pseudo-binary lead chalcogenides…
Marine heat flow data, obtained with a Lister-type probe, consists of two temperature decay curves, frictional and heat pulse decay. Both follow the same physical model of a cooling cylinder. The mathematical model describing the decays is…
In this paper, five different approaches for reduced-order modeling of brittle fracture in geomaterials, specifically concrete, are presented and compared. Four of the five methods rely on machine learning (ML) algorithms to approximate…
$CaWO_4$ and $Al_2O_3$ are well-established target materials used by experiments searching for rare events like the elastic scattering off of a hypothetical Dark Matter particle. In recent years, experiments have reached detection…
The general and practical inversion of diffraction data-producing a computer model correctly representing the material explored - is an important unsolved problem for disordered materials. Such modeling should proceed by using our full…
The paper extracts the process parameters from a sheet metal part model (B-Rep). These process parameters can be used in sheet metal manufacturing to control the manufacturing operations. By extracting these process parameters required for…
We present a computational framework for the simulations of powder-bed fusion of metallic alloys, which combines: (1) CalPhaD calculations of temperature-dependent alloy properties and phase diagrams, (2) macroscale finite element (FE)…
Characterizing quantum phases-of-matter at finite-temperature is essential for understanding complex materials and large-scale thermodynamic phenomena. Here, we develop algorithmic protocols for simulating quantum thermodynamics on quantum…
This report presents new EOS and strength models for use in numerical hydrocode simulations of dust impacts on the NASA solar probe space vehicle. This spacecraft will be subjected to impact at velocities up to 300 km/s, producing pressures…
We have developed an image-based convolutional neural network (CNN) that is applicable for quantitative time-resolved measurements of the fragmentation behavior of opaque brittle materials using ultra-high speed optical imaging. This model…
In this degree work, a theoretical computational study on high entropy alloys (HEAs) was carried out. Two specific alloys were chosen for study, AlCoCrFeNi and TiVZrNbHf. The study was based on the parameters deduced from the Hume-Rothery…
In this work, we first perform a systematic search for high-efficiency three-dimensional (3D) and two-dimensional (2D) thermoelectric materials by combining semiclassical transport techniques with density functional theory (DFT)…
DFT is a widely used method to compute properties of materials, which are often collected in databases and serve as valuable starting points for further studies. In this article, we present the Materials Cloud Three-Dimensional Structure…