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Graphene field-effect transistors (GFETs) are experimental devices which are increasingly seeing commercial and research applications. Simulation and modelling forms an important stage in facilitating this transition, however the majority…
Monte Carlo (MC) simulations are powerful computational tools for investigating thermodynamic behavior and validating analytical approaches in complex physical systems. Here we present ETHER (Efficient Tool for THermodynamics Exploration…
The Cryogenic Division at Fermilab develops large-scale cryogenic systems for particle accelerators and superconducting magnet test facilities. To support design and diagnostics, a Python-based code was created to calculate pressure drops…
We study the physical processes at work at the interface of two thermoelectric generators (TEGs) thermally and electrically connected in series. We show and explain how these processes impact on the system's performance: the derivation of…
PyMembrane is a software package for simulating liquid and elastic membranes using a discretisation of the continuum description based on unstructured triangulated two-dimensional meshes embedded in three-dimensional space. The package is…
libEnsemble is a Python-based toolkit for running dynamic ensembles, developed as part of the DOE Exascale Computing Project. The toolkit utilizes a unique generator--simulator--allocator paradigm, where generators produce input for…
An adequate education on power system operations and controls requires a hands-on experience on a graphical user interface (GUI) based software. At present, most commercial software do not have free editions with high flexibility and most…
We present TopoTB, a software package written in the Mathematica language, designed to compute electronic structures, topological properties, and phase diagrams based on tight-binding models. TopoTB is user-friendly, with an interactive…
This paper presents a lightweight, open-source and high-performance python package for solving peridynamics problems in solid mechanics. The development of this solver is motivated by the need for fast analysis tools to achieve the large…
We investigate the potential of enhancing small (<20 kg) drone endurance by exploiting the high energy density of hydrocarbons using a prototype generator based on commercial-off-the-shelf (COTS) thermoelectric energy conversion technology.…
Extended from its electromagnetic counterpart, transformation thermodynamics applied to thermal conduction equations can map a virtual geometry into a physical thermal medium, realizing the manipulation of heat flux with almost arbitrarily…
DIETER is an open-source power sector model designed to analyze future settings with very high shares of variable renewable energy sources. It minimizes overall system costs, including fixed and variable costs of various generation,…
Based on simplified one-dimensional steady-state analysis of thermoelectric phenomena and on analogies between thermal and electrical domains, we propose both lumped and distributed parameter electrical models for thermoelectric devices.…
A configurable calorimeter simulation for AI (COCOA) applications is presented, based on the Geant4 toolkit and interfaced with the Pythia event generator. This open-source project is aimed to support the development of machine learning…
In current electronic structure research endeavors such as warm dense matter or machine learning applications, efficient development necessitates non-monolithic software, providing an extendable and flexible interface. The open-source idea…
We present the design, fabrication and discuss the performance of a new combined high-resolution Scanning Tunneling and thermopower Microscope (STM/SThEM). We also describe the development of the electronic control, the user interface, the…
Thermoelectric generation (TEG) has increasingly drawn attention for being environmentally friendly. A few researches have focused on improving TEG efficiency at the system level on vehicle radiators. The most recent reconfiguration…
We present OpenMM-Python-Force, a plugin designed to extend OpenMM's functionality by enabling integration of energy and force calculations from external Python programs via a callback mechanism. During molecular dynamics simulations, data…
We demonstrate the possibility to build a thermoelectric engine using a one dimensional gas of molecules with unequal masses and hard-point interaction. Most importantly, we show that the efficiency of this engine is determined by a new…
We present a python object-oriented computer program for simulating various aspects of laser cooling physics. Our software is designed to be both easy to use and adaptable, allowing the user to specify the level structure, magnetic field…