Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Simulation model”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A coarse-grained simulation model for colloidal self-assembly via explicit mobile binders

Colloidal particles with mobile binding molecules constitute a powerful platform for probing the physics of self-assembly. Binding molecules are free to diffuse and rearrange on the surface, giving rise to spontaneous control over the number of droplet–droplet bonds, i.e., valence, as a function of the concentration of binders. This type of valence control has been realized experimentally by tuning the interaction strength between DNA-coated emulsion droplets. Optimizing for valence two yields droplet polymer chains, termed ‘colloidomers’, which have recently been used to probe the physics of folding. To understand the underlying self-assembly mechanisms, here we present a coarse-grained molecular dynamics (CGMD) model to study the self-assembly of this class of systems using explicit representations of mobile binding sites. Further, we explore how valence of assembled structures can be tuned through kinetic control in the strong binding limit. More specifically, we optimize experimental control parameters to obtain the highest yield of long linear colloidomer chains. Subsequently tuning the dynamics of binding and unbinding via a temperature-dependent model allows us to observe a heptamer chain collapse into all possible rigid structures, in good agreement with recent folding experiments. Our CGMD platform and dynamic bonding model (implemented as an open-source custom plugin to HOOMD-Blue) reveal the molecular features governing the binding patch size and valence control, and opens the study of pathways in colloidomer folding. This model can therefore guide programmable design in experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A gyrokinetic simulation model for 2D equilibrium potential in the scrape-off layer of a field-reversed configuration

The equilibrium potential structure in the scrape-off layer (SOL) of the field-reversed configuration (FRC) can be affected by the penetration of edge biasing applied at the divertor ends. The primary focus of the paper is to establish a formulation that accurately captures both parallel and radial variations of the two-dimensional (2D) potential in SOL. The formulation mainly describes a quasi-neutral plasma with a logical sheath boundary. A full-f gyrokinetic ion model and a massless electron model are implemented in the GTC-X code to solve for the self-consistent equilibrium potential, given fixed radial potential profiles at the boundaries. The first essential point of this 2D model lies in its ability to couple radial and parallel dynamics stemming from resistive currents and drag force on ions. The model successfully recovers the fluid force balance and continuity equations. These collisional effects on 2D potential mainly appear through the density profile changes, modifying the potential through electron pressure gradient. This means an accurate prescription of electron density and temperature profiles is important in predicting the potential structure in the FRC SOL. The Debye sheath potential and the potential profiles applied at the boundaries can be additional factors contributing to the 2D variations in SOL. This comprehensive full-f scheme holds promise for future investigations into turbulent transport in the presence of the self-consistent 2D potential together with the non-Maxwellian distributions and open boundary conditions in the FRC SOL.

Physics↗
DOE OSTI2025

Circuit Modeling, Simulation, and Experimental Validation of a 100-kW Polyphase Wireless Power Transfer System for EV Applications

Polyphase wireless power transfer (WPT) systems can achieve much higher surface power densities (kW/m2) and specific power levels (kW/kg) compared to the conventional circular single phase WPT systems. Therefore, polyphase WPT systems can reduce the size, weight, volume, and cost of the WPT systems and can simplify the electric vehicle integration with less demand for space. This study presents the high-performance and compact 100-kW WPT development using polyphase electromagnetic coupling coils with rotating magnetic fields.

Onar, Omer [ORNL] (ORCID:0000000292028857)↗
DOE OSTI2024

Agent-Based Simulation Model for Analyzing Multimodal Transportation of CO2 for CCUS

The overarching goal of this work is to determine how the United States can avoid being constrained by transportation limitations as the CCUS process evolves to a full gigaton-level system. The model is data-driven, open to CO2 supply and demand points defined as input data, and designed to allow for transportation on waterways, rail, or pipeline.

Clark, RobinJ↗
DOE OSTI2026

NASA’s Pandora SmallSat Mission: Simulated Modeling and Retrieval of Near-infrared Exoplanet Transmission Spectra

Pandora is a SmallSat mission dedicated to understanding exoplanets and their host stars by disentangling the impact of stellar heterogeneity on exoplanet transmission spectra. Selected as a NASA Astrophysics Pioneers mission in 2021, Pandora will provide simultaneous long-term visible photometric monitoring (0.4–0.7 μm) and low-resolution near-infrared (NIR) spectroscopy (0.9–1.6 μm) of transiting systems for the purposes of monitoring host star variability and characterizing exoplanetary atmospheres. Pandora’s year-long prime mission from 2026 to 2027 coincides with the middle of a decade defined by targeted efforts for atmospheric characterization of exoplanets, offering a key opportunity to leverage this new resource to maximize science with JWST and other observatories. Here we investigate Pandora’s anticipated performance for the general exoplanet population accessible to transit spectroscopy, from hot Jupiters to temperate sub-Neptunes. By modeling the atmospheres of five test cases broadly consistent with the bulk properties of HD 209458b, HD 189733b, WASP-80 b, HAT-P-18 b, and K2-18 b, we find that Pandora may provide abundance constraints as precise as ∼1.0 dex for main atmospheric absorbers such as H 2 O and CH 4 . Then, we explore the synergies between Pandora and JWST. Our results suggest that targets with JWST data in the NIR can benefit from the addition of Pandora observations and result in more reliable abundance estimates than with JWST data alone. Moreover, Pandora can serve the community by providing precursory observations of targets of interest for JWST atmospheric characterization. We conclude by outlining strategies for the use of Pandora as a standalone observatory and in synergy with JWST.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

A Simulation Modeling Approach to Optimizing Nuclear Waste Dispositioning

The dispositioning of nuclear waste generated at facilities across the country is an ongoing battle that affects us all. National laboratories and research centers dealing in medical research, clean energy, and other nuclear activities such as the Department of Energy (DOE) facilities face the need to properly manage and dispose of nuclear waste. A dynamic modeling solution would enable the DOE and others to make decisions on waste disposal and technological options. In doing so, this research explores modeling techniques using available data to address these situations. The focus being on developing an initial robust and adaptable discrete event model using the ExtendSim tool. This modeling effort will target the dispositioning of transuranic waste at the Savannah River National Laboratory (SRNL) which can be expanded to represent the current state of disposition process for waste generated at other DOE facilities. The model aims to assess resource allocation and waste processing options to stabilize productivity and cut the backlog of nuclear waste. By assessing the results of different scenarios, this research aims to provide actionable insights for the DOE. This approach has the potential to significantly improve the management of radioactive waste, offering the capability of evaluating options for optimizing the process for nuclear waste disposal. The findings of this study can serve as a valuable resource for decision-makers and other national laboratories, or research entities engaged in nuclear operations by enabling them to make more informed choices.

Andaverde, Alexis↗