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DOE OSTI2024

Development of an Improved RELAP5-3D Model for the High Temperature Test Facility

High-temperature gas-cooled reactors (HTGRs) are rapidly approaching deployment. Confidence in transient analysis of these systems for design, optimization, and licensing calculations requires modeling and simulation tools that have been validated against data relevant to HTGR conditions. The High Temperature Test Facility (HTTF) is an integral effects thermal hydraulics test facility for prismatic HTGRs. In spring and summer of 2019, HTTF was used for a series of experiments that now serve as the basis for the OECD/NEA Thermal Hydraulic Code Validation Benchmark for High Temperature Gas-Cooled Reactors using HTTF Data (HTGR T/H Benchmark). This benchmark contains problems for systems code, computational fluid dynamics (CFD), and coupled systems code/CFD modeling representing lower plenum mixing and both the depressurized and pressurized conduction cooldown (DCC and PCC respectively) transients. Benchmark problems include exercises for code-to-code and code-to-data comparisons as well as an exercise for error scaling between HTTF and the Modular High Temperature Gas-Cooled Reactor, which serves as the basis for the HTTF design. Previous analysis as part of the HTGR T/H benchmark used a RELAP5-3D model developed at Idaho National Laboratory (INL) and demonstrated an ability to reproduce trends in the measured data but difficulties reproducing experimental values within their uncertainty. These difficulties were largely attributed to assumptions made during the development of the initial RELAP5-3D model, which predated the HTTF experiments. A significant cause of difficulty reproducing the measured temperatures may be the radial nodalization of the previous RELAP5-3D model. The new model provides a finer nodalization to assess the impact of radial nodalization and allows for asymmetric heating within the core, which was a feature of multiple HTTF experiments. In this paper, we present the new RELAP5-3D model of HTTF. In addition to describing the new model, this paper compares the new and old models and provides results for a full-power steady state, a DCC, and a PCC in HTTF. These analyses are based on the code-to-code comparison exercises for the DCC and PCC problems of the HTGR T/H benchmark. We present the results of these exercises from the new model and compare them to the results of the old model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Tailoring MoS 2 for Small-Molecule Electroreduction: The Role of Metal Doping and Heterostructures

The electrification of chemical transformations central to sustainable fuel production and waste valorization, such as overall water splitting (OWS), hydrogen evolution reaction (HER), and electrochemical reduction of CO 2 (CO 2 R), presents a powerful opportunity to advance carbon-neutral energy technologies. Transition metal dichalcogenides (TMDs), particularly MoS 2 , have emerged as promising electrocatalyst candidates, owing to their abundance, tunable active sites, and defect-rich structures. This review highlights recent progress in leveraging metal doping and heterostructure engineering of MoS 2 to enhance the electrocatalytic activity and selectivity. By compiling insights from experimental studies and density functional theory (DFT) predictions, we examine how defect creation, electronic structure modification, and interface design contribute to improved charge transport and catalytic efficiency. Particular emphasis is placed on rational design principles, synthetic strategies, and operando characterization methods that provide a pathway to understanding and optimizing MoS 2 -based materials. We also discuss the challenges of stability, mechanistic ambiguity, and scaling while outlining opportunities to bridge theory and experiment. Collectively, this review underscores how defect and heterostructure engineering of MoS 2 can accelerate the development of efficient, sustainable electrocatalysts for both fuel generation and waste-to-value generation.

CO2 reduction↗

DOE OSTI2023

Modeling the Charge and Exciton Distributions in Phosphorescent White Organic Light-Emitting Diodes

A comprehensive numerical model is developed to quantitatively analyze the charge and exciton distributions in phosphorescent white organic light emitting diodes (WOLEDs). The model encompasses bipolar charge drift-diffusion transport with doping-dependent charge mobilities, field-dependent charge hopping across multiple interfaces, exciton generation, diffusion, energy transfer, radiative decay, and non-radiative exciton annihilation. The model is validated by direct measurement of the exciton distribution in monochromatic phosphorescent OLEDs. It is then applied to complex, multilayer WOLEDs where it is used to accurately predict their intensity and current-dependent spectral shifts. The magnitudes of different exciton loss channels in WOLEDs are calculated and quantitatively compared. This model provides an alternative for the many experimental iterations commonly used to optimize the color balance of complex OLEDs. In this context, the model inspired the addition of a hole blocking layer in the WOLED to balance the charge conduction and reduce spectral shifts – a design that is verified by experiment.

42 ENGINEERING↗

DOE OSTI2024

Error-controlled Progressive Retrieval of Scientific Data under Derivable Quantities of Interest

The unprecedented amount of scientific data has introduced heavy pressure on the current data storage and transmission systems. Progressive compression has been proposed to mitigate this problem, which offers data access with on-demand precision. However, existing approaches only consider precision control on primary data, leaving uncertainties on the quantities of interest (QoIs) derived from it. In this work, we present a progressive data retrieval framework with guaranteed error control on derivable QoIs. Our contributions are three-fold. (1) We carefully derive the theories to strictly control QoI errors during progressive retrieval. Our theory is generic and can be applied to any QoIs that can be composited by the basis of derivable QoIs proved in the paper. (2) We design and develop a generic progressive retrieval framework based on the proposed theories, and optimize it by exploring feasible progressive representations. (3) We evaluate our framework using five real-world datasets with a diverse set of QoIs. Experiments demonstrate that our framework can faithfully respect any user-specified QoI error bounds in the evaluated applications. This leads to over 2.02× performance gain in data transfer tasks compared to transferring the primary data while guaranteeing a QoI error that is less than 1E-5.

Wu, Xuan↗

DOE OSTI2015

Overview and Current Status of Analyses of Potential LEU Design Concepts for TREAT

Neutronic and thermal-hydraulic analyses have been performed to evaluate the performance of different low-enriched uranium (LEU) fuel design concepts for the conversion of the Transient Reactor Test Facility (TREAT) from its current high-enriched uranium (HEU) fuel. TREAT is an experimental reactor developed to generate high neutron flux transients for the testing of nuclear fuels. The goal of this work was to identify an LEU design which can maintain the performance of the existing HEU core while continuing to operate safely. A wide variety of design options were considered, with a focus on minimizing peak fuel temperatures and optimizing the power coupling between the TREAT core and test samples. Designs were also evaluated to ensure that they provide sufficient reactivity and shutdown margin for each control rod bank. Analyses were performed using the core loading and experiment configuration of historic M8 Power Calibration experiments (M8CAL). The Monte Carlo code MCNP was utilized for steady-state analyses, and transient calculations were performed with the point kinetics code TREKIN. Thermal analyses were performed with the COMSOL multi-physics code. Using the results of this study, a new LEU Baseline design concept is being established, which will be evaluated in detail in a future report.

Connaway, H. M.↗

DOE OSTI2017

Prospects for a Muon Spin Resonance Facility in the MuCool Test Area

This paper investigates the feasibility of re-purposing the MuCool Test Area beamline and experimental hall to support a Muon Spin Resonance facility, which would make it the only such facility in the US. This report reviews the basic muon production concepts studied and operationally implemented at TRIUMF, PSI, and RAL and their application to the MTA facility. Two scenarios were determined feasible. One represents an initial minimal-shielding and capital-cost investment stage with a single secondary muon beamline that transports the primary beam to an existing high-intensity beam absorber located outside of the hall. Another, upgraded stage, involves an optimized production target pile and high-intensity absorber installed inside the experimental hall and potentially multiple secondary muon lines. In either scenario, with attention to target design, the MTA can host enabling and competitive Muon Spin Resonance experiments

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Transformer Neural Networks with Spatiotemporal Attention for Predictive Control and Optimization of Industrial Processes

In the context of real-time optimization and model predictive control of industrial systems, machine learning, and neural networks represent cutting-edge tools that hold promise for enhancing dynamic modeling. This work presents a novel transformer neural network architecture for real-time optimization and model predictive control. This network design includes a modified attention mechanism inspired by positional embedding attention from vision transformers and task-specific modifications to the input-output structure of the transformer’s decoder stack. Experiments were conducted using data from a 450 MW coal-fired power plant to evaluate this approach's effectiveness. The transformer neural network was compared with conventional recurrent models, including GRU and LSTM. The transformer exhibited a 6% increase in the R-squared (R2) value of predictions and an 83% reduction in mean squared error (MSE). Computation time was also reduced by 84% compared to conventional recurrent models.

Gallup, Ethan R.↗

DOE OSTI2021

Real-Time Data Acquisition and Processing System for MHz Repetition Rate Image Sensors

An electro-optic detector is one of the diagnostic setups used in particle accelerators. It employs an electro-optic crystal to encode the longitudinal beam charge profile in the spectrum of a light pulse. The charge distribution is then reconstructed using data captured by a fast spectrometer. The measurement repetition rate should match or exceed the machine bunching frequency, which is often in the range of several MHz. A high-speed optical line detector (HOLD) is a linear camera designed for easy integration with scientific experiments. The use of modern FPGA circuits helps in the efficient collection and processing of data. The solution is based on Xilinx 7-Series FPGA circuits and implements a custom latency-optimized architecture utilizing the AXI4 family of interfaces. HOLD is one of the fastest line cameras in the world. Thanks to its hardware architecture and a powerful KALYPSO sensor from KIT, it outperforms the fastest comparable commercial devices.

MicroTCA↗

DOE OSTI2022

Characterization and Speciation of Marine Materials Using Synchrotron Probes: Guidelines for New Users

Synchrotron instruments are useful for marine studies because they make nondestructive measurements of chemical composition and speciation on small sample volumes and at low concentrations. Synchrotron beamtime is available without cost using a peer-reviewed proposal system. New users do not have to be synchrotron radiation experts to design a good experiment, but some guidance is needed to design and propose appropriate experiments. Here we present some of that guidance to encourage and increase access to synchrotron facilities for marine science. We provide advice and examples from experts on how to access these instruments, choose the optimal sample preparation, and avoid common pitfalls. We then present some examples of successful marine studies that use these techniques.

36 MATERIALS SCIENCE↗

NASA NTRS1988

Vehicle antenna for the mobile satellite experiment

A low profile, low cost, printed circuit, electronically steered, right hand circularly polarized phase array antenna system has been developed for the Mobile Satellite Experiment (MSAT-X) Program. The success of this antenna is based upon the development of a crossed-slot element array and detailed trade-off analyses for both the phased array and pointing system design. The optimized system provides higher gain at low elevation angles (20 degrees above the horizon) and broader frequency coverage (approximately 8 1/2 percent bandwidth) than is possible with a patch array. Detailed analysis showed that optimum performance could be achieved with a 19 element array of a triangular lattice geometry of 3.9 inch element spacing. This configuration has the effect of minimizing grating lobes at large scan angles plus it improves the intersatellite isolation. The array has an aperture 20 inches in diameter and is 0.75 inch thick overall, exclusive of the RF and power connector. The pointing system employs a hybrid approach that operates with both an external rate sensor and an internal error signal as a means of fine tuning the beam acquisition and track. Steering the beam is done electronically via 18, 3-bit diode phase shifters. A nineteenth phase shifter is not required as the center element serves as a reference only. Measured patterns and gain show that the array meets the stipulated performance specifications everywhere except at some low elevation angles.

Peng, Sheng Y.↗

NASA NTRS1998

Evaluation of Methods for Multidisciplinary Design Optimization (MDO)

The NASA Langley Multidisciplinary Design Optimization (MDO) method evaluation study seeks to arrive at a set of guidelines for using promising MDO methods by accumulating and analyzing computational data for such methods. The data are collected by conducting a series of reproducible experiments. This report documents all computational experiments conducted in Phase I of the study. This report is a companion to the paper titled Initial Results of an MDO Method Evaluation Study by N. M. Alexandrov and S. Kodiyalam (AIAA-98-4884).

Kodiyalam, Srinivas↗

NASA NTRS2005

Lightweight Nonmetallic Thermal Protection Materials Technology

To fulfill President George W. Bush's "Vision for Space Exploration" (2004) - successful human and robotic missions to and from other solar system bodies in order to explore their atmospheres and surfaces - the National Aeronautics and Space Administration (NASA) must reduce the trip time, cost, and vehicle weight so that the payload and scientific experiments' capabilities can be maximized. The new project described in this paper will generate thermal protection system (TPS) product that will enable greater fidelity in mission/vehicle design trade studies, support risk reduction for material selections, assist in the optimization of vehicle weights, and provide materials and processes templates for use in the development of human-rated TPS qualification and certification plans.

Valentine, Peter G.↗

DOE OSTI2019

First Test Results of Superconducting Twin Axis Cavity for ERL Applications

Superconducting cavities with two beam pipes had been proposed in the past for energy recovery linac applications. The relatively complex geometry of those cavities presented a serious challenge for fabrication and surface processing. Main concerns have now been overcome with the production and successful RF testing of a new elliptical twin-axis cavity proposed by Jefferson Lab and optimized by the Center for Accelerator Science at Old Dominion University in the frame of a DoE accelerator stewardship program. The cavity design provides uniform accelerating or decelerating fields for both beams. This paper describes the cavity design, fabrication experience, and the first cold RF test results and explores potential applications especially for Jefferson Lab s EIC (JLEIC).

Park, H.-K.↗

NASA NTRS1990

Expert system for multidisciplinary analysis and optimization using ASTROS

This paper discusses the framework of a Knowledge Based Expert System (KBES) environment to design aerospace structures under structural and aerodynamic constraints using ASTROS (Automated Structural Optimization program). ASTROS is a synthesis tool built around the NASTRAN finite element program. The knowledge base capabilities are discussed for synthesizing in statics, normal mode, steady and unsteady aerodynamic disciplines. A description of the two ASTROS advisor modules the Editor/Bulk Data generator and Post-processor is included. Experiences and issues involved in hierarchical representation of knowledge as menu options at different levels of abstraction are presented. A brief overview of Knowledge Based Systems and the shell CLIPS (C Language Integrated Production System) used to develop the ASTROS Advisor are discussed. Illustrative examples of the advisor in designing airframe structures are also included.

Sarma, Hari K.↗

DOE OSTI2023

First test results of the trans-impedance amplifier stage of the ultra-fast HPSoC ASIC

Abstract We present the first results from the HPSoC ASIC designed for readout of Ultra-fast Silicon Detectors. The 4-channel ASIC manufactured in 65 nm CMOS by TSMC has been optimized for 50 μm thick AC-LGAD. The evaluation of the analog front end with β-particles impinging on 3 × 3 AC-LGAD arrays (500 μm pitch, 200 × 200 μm 2 metal) confirms a fast output rise time of 600 ps and good timing performance with a jitter of 45 ps. Further calibration experiments and TCT laser studies indicate some gain limitations that are being investigated and are driving the design of the second-generation pre-amplification stages to reach a jitter of 15 ps.

Instruments & Instrumentation↗

DOE OSTI2015

Design of blade-shaped-electrode linear ion traps with reduced anharmonic contributions

RF quadrupole linear Paul traps are versatile tools in quantum physics experiments. Linear Paul traps with blade-shaped electrodes have the advantages of larger solid angles for fluorescence collection. But with these kinds of traps, the existence of higher-order anharmonic terms of the trap potentials can cause large heating rate for the trapped ions. In this paper, we theoretically investigate the dependence of higher-order terms of trap potentials on the geometry of blade-shaped traps, and offer an optimized design. A modified blade electrodes trap is proposed to further reduce higher-order anharmonic terms while still retaining large fluorescence collection angle.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2011

DAFNE Setup And Operation With the Crab-Waist Collision Scheme

In the second half of 2007 a major upgrade has been implemented on the Frascati DA{Phi}NE collider in order to test the novel idea of Crab-Waist collisions. New vacuum chambers and permanent quadrupole magnets have been designed, built and installed to realize the new configuration. At the same time the performances of relevant hardware components, such as fast injection kickers and shielded bellows have been improved relying on new design concepts. The collider has been successfully commissioned in this new configuration. The paper describes several experimental results about linear and non-linear optics setup and optimization, damping of beam-beam instabilities and discusses the obtained luminosity performances. DA{Phi}NE [1] is the Frascati lepton collider working at the c m. energy of the {Phi} meson resonance (1020). It came in operation in 2001 and till summer 2007 provided luminosity, in sequence, to three different experiments which logged a total integrated luminosity of {approx} 4.4 fb{sup -1}. During these years the collider reached its best performances in terms of luminosity and background (L{sub peak} = 1.6 x 10{sup 32} cm{sup -2}s{sup -1} L{sub day} {approx} 10 pb{sup -1}) by means of several successive upgrades, relying on the experience gathered during the collider operations and implemented exploiting the shutdowns required for the experiment change over [2, 3, 4].

43 PARTICLE ACCELERATORS↗

DOE OSTI2013

THE BARYON ACOUSTIC OSCILLATION BROADBAND AND BROAD-BEAM ARRAY: DESIGN OVERVIEW AND SENSITIVITY FORECASTS

This work describes a new instrument optimized for a detection of the neutral hydrogen 21 cm power spectrum between redshifts of 0.5 and 1.5: the Baryon Acoustic Oscillation Broadband and Broad-beam (BAOBAB) array. BAOBAB will build on the efforts of a first generation of 21 cm experiments that are targeting a detection of the signal from the Epoch of Reionization at z {approx} 10. At z {approx} 1, the emission from neutral hydrogen in self-shielded overdense halos also presents an accessible signal, since the dominant, synchrotron foreground emission is considerably fainter than at redshift 10. The principle science driver for these observations are baryon acoustic oscillations in the matter power spectrum which have the potential to act as a standard ruler and constrain the nature of dark energy. BAOBAB will fully correlate dual-polarization antenna tiles over the 600-900 MHz band with a frequency resolution of 300 kHz and a system temperature of 50 K. The number of antennas will grow in staged deployments, and reconfigurations of the array will allow for both traditional imaging and high power spectrum sensitivity operations. We present calculations of the power spectrum sensitivity for various array sizes, with a 35 element array measuring the cosmic neutral hydrogen fraction as a function of redshift, and a 132 element system detecting the BAO features in the power spectrum, yielding a 1.8% error on the z {approx} 1 distance scale, and, in turn, significant improvements to constraints on the dark energy equation of state over an unprecedented range of redshifts from {approx}0.5 to 1.5.

79 ASTRONOMY AND ASTROPHYSICS↗