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All sources NASA NTRS DOE OSTI

DOE OSTI2021

Control of plasmons in topological insulators via local perturbations

Here, we use a fully quantum mechanical approach to demonstrate control of plasmonic excitations in prototype models of topological insulators by molecule-scale perturbations. Strongly localized surface plasmons are present in the host systems, arising from the topologically nontrivial single-particle edge states. A numerical evaluation of the random phase approximation equations for the perturbed systems reveals how the positions and the internal electronic structure of the added molecules affect the degeneracy of the locally confined collective excitations, i.e., shifting the plasmonic energies of the host system and changing their spatial charge density profile. In particular, we identify conditions under which significant charge transfer from the host system to the added molecules occurs. Furthermore, the induced field energy density in the perturbed topological systems due to external electric fields is determined.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

CalTestBed - Delphire - Testing and Evaluation of Delphire Sentinel System (CRADA Final Report)

The Delphire Sentinel is a modular fire detection and communications system operating as a mobile field unit, with low voltage DC power supplied by onboard photovoltaics (PV) and batteries. The Sentinel addresses several aspects of fire detection, communications and data analysis. The Sentinel's mobility enables it to be rapidly deployed and operate independently of existing power and communications networks. The duration of independent operation depends critically on the energy consumption of the systems and performance of the onboard PV and battery. The purpose of this testing is to ascertain the power draw and energy consumption of the Delphire Sentinel prototype system under several operational states, including various data transfer packet sizes, transmission time and frequencies, and communication pathways (Wi-Fi, cellular, satellite) expected to be encountered in field deployments. It will also include procedures to test the ability of the Sentinel to operate for extended periods without loss of functionality. Based on results from energy and power measurements, and anticipated duty cycles in field deployments, we will model annual system autonomy (e.g. loss of load probability) for off-grid operation in representative locations.

47 OTHER INSTRUMENTATION↗

NASA NTRS2014

The Vibration Ring

The vibration ring was conceived as a driveline damping device to prevent structure-borne noise in machines. It has the appearance of a metal ring, and can be installed between any two driveline components like an ordinary mechanical spacer. Damping is achieved using a ring-shaped piezoelectric stack that is poled in the axial direction and connected to an electrical shunt circuit. Surrounding the stack is a metal structure, called the compression cage, which squeezes the stack along its poled axis when excited by radial driveline forces. The stack in turn generates electrical energy, which is either dissipated or harvested using the shunt circuit. Removing energy from the system creates a net damping effect. The vibration ring is much stiffer than traditional damping devices, which allows it to be used in a driveline without disrupting normal operation. In phase 1 of this NASA Seedling Fund project, a combination of design and analysis was used to examine the feasibility of this concept. Several designs were evaluated using solid modeling, finite element analysis, and by creating prototype hardware. Then an analytical model representing the coupled electromechanical response was formulated in closed form. The model was exercised parametrically to examine the stiffness and loss factor spectra of the vibration ring, as well as simulate its damping effect in the context of a simplified driveline model. The results of this work showed that this is a viable mechanism for driveline damping, and provided several lessons for continued development.

Asnani, Vivake M.↗

DOE OSTI2025

Modeling Framework to Predict Melting Dynamics at Microstructural Defects in TNT-HMX High Explosive Composites

Many high explosive (HE) formulations are composite materials whose microstructure is understood to impact functional characteristics. Interfaces are known to mediate the formation of hot spots that control their safety and initiation. Here, to study such processes at molecular scales, we developed all-atom force fields (FFs) for Octol, a prototypical HE formulation comprised of TNT (2,4,6-trinitrotoluene) and HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine). We extended a FF for TNT and recasted it in a form that can be readily combined with a well-established FF for HMX. The resulting FF was extensively validated against experimental results and density functional theory calculations. We applied the new combined TNT-HMX FF to predict and rank surface and interface energies, which indicate that there is an energetic driver for coarsening of microstructural grains in TNT-HMX composites. Finally, we assess the impact of several microstructural environments on the dynamic melting of TNT crystal under ultrafast thermal loading. We find that both free surfaces and planar material interfaces are effective nucleation points for TNT melting. However, MD simulations show that TNT crystal is prone to superheating by at least 50 K on subnanosecond time scales and that the degree of superheating is inversely correlated with surface and interface energy. The modeling framework presented here will enable future studies on hot spot formation processes in accident scenarios that are governed by strong coupling between microstructural interfaces, material mechanics, momentum and energy transport, phase transitions, and chemistry.

36 MATERIALS SCIENCE↗

NASA NTRS2010

Heat Entrapment Effects Within Liquid Acquisition Devices

We introduce a model problem to address heat entrapment effects or the local accumulation of thermal energy within liquid acquisition devices. We show that the parametric space consists of six parameters, namely the Rayleigh and Prandtl numbers, the aspect ratio, and heat flux ratios for the bottom, side, and top boundaries of the enclosure. For the range of Ra considered 1 to 10(sup 9), beyond Ra on the order of 10(sup 5), convective instability is the dominant mode of convection in comparison to natural convection. The flow field transitions to asymmetric modes at Ra on the order of 10(sup 7). Direct numerical simulation of a large geometric length scale prototype for Ra on the order of 10(sup 9) shows that the flow field evolves from small wavelength instability which gives rise to nonlinear growth of thermals, propagation of the instability occurs via growth of secondary and tertiary modes, and a travelling wave mode occurs prior to asymmetry. The effect of a large aspect ratio is to increase the number of modes in the vertical direction. Due to the slow diffusion of heat in the prototype, asymptotic states are not readily attained, we show that dynamical similarity can be used for a model which allows the attainment of asymptotic states and that transition to a chaotic state occurs for Ra on the order of 10(sup 9) via a broadband power spectrum. These dynamical events show that for the baseline condition in which heat is absorbed from background laboratory environment, higher heat flux is absorbed at the top and bottom boundaries of the enclosure than a nominal value of 34.9 ergs per square centimeter -second.

Duval, W. M. B.↗

DOE OSTI2024

Active oscillatory associative memory

Traditionally, physical models of associative memory assume conditions of equilibrium. Here, we consider a prototypical oscillator model of associative memory and study how active noise sources that drive the system out of equilibrium, as well as nonlinearities in the interactions between the oscillators, affect the associative memory properties of the system. Our simulations show that pattern retrieval under active noise is more robust to the number of learned patterns and noise intensity than under passive noise. To understand this phenomenon, we analytically derive an effective energy correction due to the temporal correlations of active noise in the limit of short correlation decay time. We find that active noise deepens the energy wells corresponding to the patterns by strengthening the oscillator couplings, where the more nonlinear interactions are preferentially enhanced. Using replica theory, we demonstrate qualitative agreement between this effective picture and the retrieval simulations. Our work suggests that the nonlinearity in the oscillator couplings can improve memory under nonequilibrium conditions.

Chemistry↗

NASA NTRSDate not supplied

Development of the Microcalorimeter Array for the Line Emission Mapper (LEM) X-Ray Probe

The Line Emission Mapper (LEM) is a proposed NASA probe-class mission designed to study the formation of structure in the Universe. LEM will have a 14k pixel array of transition-edge sensor (TES) microcalorimeters that provide a spectral resolution of < 2.5 eV and a bandpass of 0.2-2 keV. In this paper, we report on the status and plan for continued development of the LMS microcalorimeter. This includes details of the TES and x-ray absorber design, and the measured performance in prototype arrays. We present a detailed budget for the energy resolution and show how the properties of the LEM pixels are well optimized for the baseline time-division-multiplexing (TDM) that will be used read out the array. Finally, we describe the design and performance of the first full scale LMS arrays which include the necessary mechanical and electrical interfaces needed for LEM and are a precursor to an engineering model detector.

Stephen J Smith↗

DOE OSTI2022

Techno-Economic Wind Blade Manufacturing Model to Identify Opportunities for Cost Improvements Phase II IACMI Project 4.6/4.8

In IACMI Project 4.6 and IACMI Project 4.8, an Excel-based Techno-Economic Model (TEM) of the manufacturing process for composite wind turbine blades and a DELMIA Factory Flow Simulation of a generic wind blade manufacturing facility was developed. Together, these two tools provide a combined economic modeling capability that accounts for the material, labor, overhead and full-lifecycle operating costs associated with wind blade manufacturing as well as the impact of process flow and factory layout on overall manufacturing efficiency. The tools provide a novel means of detailed comparative analysis of the economic feasibility of proposed technologies and process changes for blade manufacturing. The modeling tools were developed with close support from members of industry and visits to multiple blade manufacturing facilities. With industry oversight, a detailed generalized manufacturing process plan and facility layout were developed with manufacturing parameters, material costs and economic factors based on historical data. Dassault Systèmes and the University of Texas at Dallas (UTD) contributed to the development of the Techno-Economic Model by providing macros to enable the generation of Bill of Material (BOM) data from a 3D blade design in either CATIA or NuMAD format, respectively. The TEM was built with the capability to directly import a Bill of Materials for economic analysis, and with the addition of the macros provided by Dassault and UTD, the TEM can directly import blade designs from both CATIA and NuMAD file formats. The modeling tools developed in Project 4.6 were used to investigate four wind blade manufacturing concepts in detail and select one to explore with laboratory-scale experimentation in Project 4.8. The four manufacturing concepts that were investigated were down-selected by the full project team from a larger list of concepts. The selections were made based on a number of criteria ranking viability and level of interest for each concept. The ‘One-Step Close’ manufacturing concept was ultimately selected for investigation in Project 4.8 and the demonstration was performed at the NREL CoMET facility. The TPI advanced manufacturing facility in Warren, RI contributed the production of several prototype components, the designs for which were developed by Janicki Industries. The demonstration project provided clear indication of the viability of the One-Step Close manufacturing concept for blade manufacturing and good validation of the Techno-Economic Model’s prediction of its economic impact.

17 WIND ENERGY↗

DOE OSTI2022

HERA M&S Exercise Problem Description Report

The Nuclear Energy Agency (NEA) Framework for Irradiation Experiments (FIDES) program includes the High burnup Experiments for Reactivity initiated Accident (HERA) Joint Experimental Program (JEEP). The HERA project is focused on studying Light Water Reactor (LWR) fuel behavior during Reactivity Initiated Accident (RIA) conditions. The HERA experiment plan includes analytical integral experiments using test specimens tailored to investigate specific conditions of relevance as well as prototypic integral experiments focused on irradiated fuel from prototypic origin. Modeling & simulation (M&S) is a key component of any experiment program, and the HERA JEEP is coordinating a M&S exercise. The purpose of this document is to provide problem descriptions to support the HERA M&S exercise based on fuel performance modeling. The HERA M&S exercise is expected to evolve into multiple efforts in outyears. This document may be revised and expanded to incorporate those evolutions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Quantum many-body simulations of the two-dimensional Fermi-Hubbard model in ultracold optical lattices

Understanding quantum many-body states of correlated electrons is one main theme in modern condensed-matter physics. Given that the Fermi-Hubbard model, the prototype of correlated electrons, was recently realized in ultracold optical lattices, it is highly desirable to have controlled numerical methodology to provide precise finite-temperature results upon doping to directly compare with experiments. Here, we demonstrate the exponential tensor renormalization group (XTRG) algorithm [Chen et al., Phys. Rev. X 8, 031082 (2018)], complemented by independent determinant quantum Monte Carlo, offers a powerful combination of tools for this purpose. XTRG provides full and accurate access to the density matrix and thus various spin and charge correlations, down to an unprecedented low temperature of a few percent of the tunneling energy. Finally, we observe excellent agreement with ultracold fermion measurements at both half filling and finite doping, including the sign-reversal behavior in spin correlations due to formation of magnetic polarons, and the attractive hole-doublon and repulsive hole-hole pairs that are responsible for the peculiar bunching and antibunching behaviors of the antimoments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Kinematics and dynamics of disclination lines in three-dimensional nematics

An exact kinematic law for the motion of disclination lines in nematic liquid crystals as a function of the tensor order parameter Q is derived. Unlike other order parameter fields that become singular at their respective defect cores, the tensor order parameter remains regular. Following earlier experimental and theoretical work, the disclination core is defined to be the line where the uniaxial and biaxial order parameters are equal, or equivalently, where the two largest eigenvalues of Q cross. This allows an exact expression relating the velocity of the line to spatial and temporal derivatives of Q on the line, to be specified by a dynamical model for the evolution of the nematic. By introducing a linear core approximation for Q, analytical results are given for several prototypical configurations, including line interactions and motion, loop annihilation, and the response to external fields and shear flows. Behaviour that follows from topological constraints or defect geometry is highlighted. Finally, the analytic results are shown to be in agreement with three-dimensional numerical calculations based on a singular Maier–Saupe free energy that allows for anisotropic elasticity.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Direct Subsurface Measurements through Precise Micro Drilling

Wellbore integrity is a significant problem in the U.S. and worldwide, which has serious adverse environmental and energy security consequences. Wells are constructed with a cement barrier designed to last about 50 years. Indirect measurements and models are commonly used to identify wellbore damage and leakage, often producing subjective and even erroneous results. The research presented herein focuses on new technologies to improve monitoring and detection of wellbore failures (leaks) by developing a multi-step machine learning approach to localize two types of thermal defects within a wellbore model, a prototype mechatronic system for automatically drilling small diameter holes of arbitrary depth to monitor the integrity of oil and gas wells in situ, and benchtop testing and analyses to support the development of an autonomous real-time diagnostic tool to enable sensor emplacement for monitoring wellbore integrity. Each technology was supported by experimental results. This research has provided tools to aid in the detection of wellbore leaks and significantly enhanced our understanding of the interaction between small-hole drilling and wellbore materials.

42 ENGINEERING↗

DOE OSTI2023

INL Report: Multiphysics Modeling and Simulation of Deimos, an Advanced Reactor Experiment

When designing a novel reactor, nuclear experiments are essential to validate the predictive capability of modeling/simulation tools and to justify the investment of a full-scale prototype. Being able to accurately predict temperature reactivity coefficients is of high importance to reactor designers as it impacts the safety and performance of the system. Deimos is a proposed graphite-moderated, beryllium-reflected, high assay low-enriched uranium (HALEU) tri-structural isotropic (TRISO) fueled experiment for NCERC. Deimos is a valuable experiment for validating the predictive performance of modeling and simulation tools since it comprises a relatively thermal energy spectrum with 84% thermal neutrons causing fission, 15% epithermal neutrons causing fission, and 1% fast neutrons causing fission. Additionally, by electrically heating the experiment, reactivity can be validated at various temperatures. Deimos will serve as a testbed for future advanced reactor concepts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

Development of Composite Photocatalyst Materials that are Highly Selective for Solar Hydrogen Production and their Evaluation in Z-Scheme Reactor Designs

The key technology gap preventing a vertically stacked dual-bed particle suspension reactor from achieving the DOE MYRD&D ultimate cost target for H 2 production remains the lack of materials in particle form factor that exhibit ≥10% solar-to-H 2 energy conversion (STH) efficiency as a suspension. Therefore, our project goals centered around strategies to increase the STH efficiency by enhancing photophysical properties of perovskite oxide particles including increased visible-light absorption, increased selectivity for electrocatalysis of the H 2 evolution reaction (HER) and the O 2 evolution reaction (OER) through development of ultrathin oxide coatings, correlating composition and structure to function, and improving understanding of multiscale transport and kinetic processes.

08 HYDROGEN↗

DOE OSTI2024

A hardware-in-the-loop (HIL) testbed for cyber-physical energy systems in smart commercial buildings

In recent years, there has been a growing trend toward the development of smart buildings that rely on cyber-physical systems (CPS) to optimize occupant comfort, safety, and energy efficiency. To ensure the reliable and efficient operation of CPS with designed control strategies, it is important to evaluate their performance under various scenarios before deploying them in the real world. This is where a Hardware-in-the-loop (HIL) testbed designed for studying sensor and control-related studies in smart buildings can be highly valuable. With the growing threat of cyber-attacks and physical faults targeting smart buildings, it is essential to ensure the security of building operations. A HIL testbed can emulate cyber-attack and physical fault scenarios, allowing researchers to develop and test threat detection and mitigation algorithms. This enables researchers to identify potential issues and optimize the algorithms in a safe and controlled environment before they are deployed in real-world settings, reducing the risk of failures that can negatively impact occupant comfort, safety, and energy efficiency. Therefore, this paper developed a HIL testbed designed for cyber-physical energy systems (e.g. buildings automation system (BAS)) in smart commercial buildings. The HIL testbed is comprised of a real-time building and Heating, Ventilation, and Air-Conditioning (HVAC) emulator using Modelica-based dynamic models, a set of BAS controllers, and a BAS computer server. The data generation capability of the HIL testbed is demonstrated by tracking normal and faulty operating data in the BAS, as well as monitoring detailed network traffic in the local BAS network. Here, this study further demonstrates the HIL testbed’s capability by conducting case studies on real-time physical fault and cyber-attack experiments using a Department of Energy (DOE) prototype commercial building. It is anticipated that the fully functional HIL testbed will be utilized for a variety of sensor and control-related studies, including but not limited to testing, developing, validating of different HVAC control strategies, fault detection & diagnosis, energy monitoring and analysis, cyber security study, etc.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2012

Finite Element Analysis of Three Methods for Microwave Heating of Planetary Surfaces

In-Situ Resource Utilization will be Ground Breaking technology for sustained exploration of space. Volatiles are present in planetary regolith, but water by far has the most potential for effective utilization. The presence of water at the lunar poles and Mars opens the possibility of using the hydrogen for propellant on missions beyond Earth orbit. Likewise, the oxygen could be used for in-space propulsion for lunar ascent/descent and for space tugs from low lunar orbit to low Earth orbit. Water is also an effective radiation shielding material as well as a valuable expendable (water and oxygen) required for habitation in space. Because of the strong function of water vapor pressure with temperature, heating regolith effectively liberates water vapor by sublimation. Microwave energy will penetrate soil and heat from within, much more efficiently than heating from the surface with radiant heat. This is especially true under vacuum conditions since the heat transfer rate is very low. The depth of microwave penetration is a strong function of the microwave frequency and to a lesser extent on regolith dielectric properties. New methods for delivery of microwaves into lunar and planetary surfaces is being prototyped with laboratory experiments and modeled with COMSOL MultiPhysics. Recent results are discussed.

Ethridge, Edwin↗

DOE OSTI2022

Development of a 250 Degree C 15kV Supercascode Switch Using SiC JFET Technology

Tetra Corporation is developing a pulsed power drilling system for the geothermal industry. The system requires a high temperature switching technology to replace the existing technology based on Si thyristors with a temperature limit of 150 degrees C. This work focuses on the development of such switch based on a Supercascode configuration using SiC JFET technology. The development presented contains thermal models, packaging design and processes, circuit simulations and prototypes of both the Supercascode switch and the high temperature packaged SiC JFETs.

cascaded switch↗

DOE OSTI2025

Thermal Management for Planar Package Power Electronics (CRADA Final Report)

The National Renewable Energy Laboratory (NREL) and John Deere Electronic Solutions (JDES) collaborated to develop and evaluate computer models and simulations related to the thermal performance of semiconductor device packaging for an inverter of an off-road vehicle ("Semiconductor Packaging"). The objective of the research was for NREL and JDES to develop a two or three-dimensional computer-aided design model of the Semiconductor Packaging ("Computer Model") for thermal performance evaluation in a simulation. The project developed computer models of a Semiconductor Package of silicon-carbide semiconductor devices with appropriate thermal dissipation via one or more of the following thermal features: a double-sided planar cooling configuration, an air-cooled configuration, a liquid-cooled configuration for off-road inverter applications in a relevant simulated operating environment. It is noted that surface area and prototype product embodiment consisting of air-cooled and liquid-cooled configurations may and may not be in direct contact with power semiconductor chips. The idea was to explore and develop packaging and thermal management technology for power semiconductors that was most effective in the performance yet had least burden in overall product cost for a given application.

33 ADVANCED PROPULSION SYSTEMS↗