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DOE OSTI2015

Evaluation of Cooling Conditions for a High Heat Flux Testing Facility Based on Plasma-Arc Lamps

The new Irradiated Material Target Station (IMTS) facility for fusion materials at Oak Ridge National Laboratory (ORNL) uses an infrared plasma-arc lamp (PAL) to deliver incident heat fluxes as high as 27 MW/m 2 . The facility is being used to test irradiated plasma-facing component materials as part of the joint US-Japan PHENIX program. The irradiated samples are to be mounted on molybdenum sample holders attached to a water-cooled copper rod. Depending on the size and geometry of samples, several sample holders and copper rod configurations have been fabricated and tested. As a part of the effort to design sample holders compatible with the high heat flux (HHF) testing to be conducted at the IMTS facility, numerical simulations have been performed for two different water-cooled sample holder designs using the ANSYS FLUENT 14.0 commercial computational fluid dynamics (CFD) software package. The primary objective of this work is to evaluate the cooling capability of different sample holder designs, i.e. to estimate their maximum allowable incident heat flux values. 2D axisymmetric numerical simulations are performed using the realizable k-ε turbulence model and the RPI nucleate boiling model within ANSYS FLUENT 14.0. The results of the numerical model were compared against the experimental data for two sample holder designs tested in the IMTS facility. The model has been used to parametrically evaluate the effect of various operational parameters on the predicted temperature distributions. The results were used to identify the limiting parameter for safe operation of the two sample holders and the associated peak heat flux limits. The results of this investigation will help guide the development of new sample holder designs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2017

Final Report: High Energy Physics at the Energy Frontier at Louisiana Tech

The Louisiana Tech University High Energy Physics group has developed a research program aimed at experimentally testing the Standard Model of particle physics and searching for new phenomena through a focused set of analyses in collaboration with the ATLAS experiment at the Large Hadron Collider (LHC) at the CERN laboratory in Geneva. This research program includes involvement in the current operation and maintenance of the ATLAS experiment and full involvement in Phase 1 and Phase 2 upgrades in preparation for future high luminosity (HL-LHC) operation of the LHC. Our focus is solely on the ATLAS experiment at the LHC, with some related detector development and software efforts. We have established important service roles on ATLAS in five major areas: Triggers, especially jet triggers; Data Quality monitoring; grid computing; GPU applications for upgrades; and radiation testing for upgrades. Our physics research is focused on multijet measurements and top quark physics in final states containing tau leptons, which we propose to extend into related searches for new phenomena. Focusing on closely related topics in the jet and top analyses and coordinating these analyses in our group has led to high efficiency and increased visibility inside the ATLAS collaboration and beyond. Based on our work in the DØ experiment in Run II of the Fermilab Tevatron Collider, Louisiana Tech has developed a reputation as one of the leading institutions pursuing jet physics studies. Currently we are applying this expertise to the ATLAS experiment, with several multijet analyses in progress.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Population balance modeling of polyurethane foam formation with pressure‐dependent growth kernel

Abstract Polyurethane foams are widely used materials often chosen for their useful characteristics such as low thermal conductivity, ease of application, and high strength‐to‐weight ratios. Computational models are needed to predict the dynamics of the flow and expansion, and the resulting material properties, to improve manufacturing processes. In this paper, a model for PMDI, a water‐blown polyurethane foam, is presented. By extending a kinetics‐based approach by adding bubble‐scale information via a population balance equation (PBE) using the quadrature method of moments, we can track bubble size distributions during foaming. We present results from a three‐dimensional computational fluid dynamics model using arbitrary Lagrangian–Eulerian interface tracking implemented in finite element software. The model compares favorably with experimental data, including dynamics, bubble distributions measured by both camera and diffusion wave spectroscopy, and post‐test bubble size from scanning electron microscopy and density measurements from x‐ray computed tomography.

Ortiz, Weston↗

DOE OSTI2016

Testing contamination source identification methods for water distribution networks

In the event of contamination in a water distribution network (WDN), source identification (SI) methods that analyze sensor data can be used to identify the source location(s). Knowledge of the source location and characteristics are important to inform contamination control and cleanup operations. Various SI strategies that have been developed by researchers differ in their underlying assumptions and solution techniques. The following manuscript presents a systematic procedure for testing and evaluating SI methods. The performance of these SI methods is affected by various factors including the size of WDN model, measurement error, modeling error, time and number of contaminant injections, and time and number of measurements. This paper includes test cases that vary these factors and evaluates three SI methods on the basis of accuracy and specificity. The tests are used to review and compare these different SI methods, highlighting their strengths in handling various identification scenarios. These SI methods and a testing framework that includes the test cases and analysis tools presented in this paper have been integrated into EPA’s Water Security Toolkit (WST), a suite of software tools to help researchers and others in the water industry evaluate and plan various response strategies in case of a contamination incident. Lastly, a set of recommendations are made for users to consider when working with different categories of SI methods.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Titanium doped LSCM anode for hydrocarbon fuelled SOFCs

La{sub 0.75}Sr{sub 0.25}Cr{sub 0.5-x}Mn{sub 0.5}Ti{sub x}O{sub 3} (x = 0.1, 0.2) has been synthesized in solid state reaction method and tested as a potential anode material for solid oxide fuel cells. Rietveld refinement of X-ray powder diffraction data using Fullprof software shows that the materials crystallize in the rhombohedral symmetry in the R-3C space group. The cell parameters are: a = b = 5.5286 (4) Å, c = 13.408(1) Å, α = β = 90°, γ = 120°. Particle size distribution measurements show that the average particle size for x = 0.1 and 0.2 was 232.66 nm and 176.63 nm, respectively. The potential on particles were found to be −22.86 mV and −27.73 mV, for x = 0.1 and x = 0.2, respectively. Thermal expansion measurement using thermo-mechanical analyzer shows that the thermal expansion coefficient is 13.96 × 10{sup −6}/°C which is close to the thermal expansion of the state-of–the art YSZ electrolyte. Microstructure has been observed from scanning electron microscopy which shows a porous structure. Energy dispersive X-ray shows that the percentage of the different cations and anions in the structure are close to the chemical occupancies.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Intrinsic quality factor extraction of multi-port cavity with arbitrary coupling

In this work, we derived S-parameter based expressions for the intrinsic quality factor of an arbitrary coupled multiport microwave cavity and a non-ideal test fixture. Practical accuracy limitations of the obtained expressions specifically for superconducting accelerator cavities were evaluated both analytically and with the simulation software. The resulting formulas can be used to extract the intrinsic quality factor of normal-conducting and superconducting cavities directly from the calibrated S-parameter measurements.

43 PARTICLE ACCELERATORS↗

DOE OSTI2026

A continuous symmetry breaking measure for finite clusters using Jensen-Shannon divergence

A quantitative measure of symmetry breaking is introduced that allows the quantification of which symmetries are most strongly broken due to the introduction of some kind of defect in a perfect structure. The method uses a statistical approach based on the Jensen-Shannon divergence. The measure is calculated by comparing the transformed atomic density function with its original. Software code is presented that carries the calculations out numerically using Monte Carlo methods. The behavior of this symmetry breaking measure is tested for various cases including finite size crystallites (where the surfaces break the crystallographic symmetry), atomic displacements from high symmetry positions, and collective motions of atoms due to rotations of rigid octahedra. Finally, the approach provides a powerful tool for assessing local symmetry breaking and offers new insights that can help researchers understand how different structural distortions affect different symmetry operations.

atomic & molecular structure↗

DOE OSTI2023

Signal Processing Based Method for Real-Time Anomaly Detection in High-Performance Computing

Performance anomalies can manifest as irregular execution times or abnormal execution events for many reasons, including network congestion and resource contention. Detecting such anomalies in real-time by analyzing the details of performance traces at scale is impractical due to the sheer volume of data High-Performance Computing (HPC) applications produce. In this paper, we propose formulating HPC performance anomaly detection as a signal-processing problem where anomalies can be treated as noise. We evaluate our proposed method in comparison with two other commonly used anomaly detection techniques of varying complexity based on their detection accuracy and scalability. Since real-time in-situ anomaly detection at a large scale requires lightweight methods that can handle a large volume of streaming data, we find that our proposed method provides the best trade-off. We then implement the proposed method in Chimbuko, the first online, distributed, and scalable workflow-level performance trace analysis framework. We compare our proposed signal-based anomaly detection algorithm with two other methods using a function of their accuracy, F1 score, and detection overhead. Our experiments demonstrate that our proposed approach achieves a 99% improvement for the benchmark datasets and a 93% improvement with Chimbuko traces.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2021

Performance Evaluation of Distributed Energy Resource Management Algorithm in Large Distribution Networks

This paper presents performance evaluation of hierarchical optimization and control for distributed energy resource management system (DERMS) in large distribution networks via an advanced hardware-in-the-loop (HIL) platform. The HIL platform provides realistic testing in a laboratory environment, including the accurate modeling of a full-scale distribution system of 11,000 nodes, the DERMS software controller, and 90 power hardware photovoltaics (PVs) and battery inverters. The applied DERMS algorithm is designed based on a realtime optimal power flow algorithm and implemented with acceleration design that performs fast dispatch of simulated PVs and real physical hardware DER devices every 4 seconds.

DERMS↗

DOE OSTI2018

Quench Protection Performance Measurements in the First MQXF Magnet Models

The European Organization for Nuclear Research (CERN) and U.S. LHC Accelerator Research Program (LARP) are jointly developing Nb3Sn quadrupole magnets to be installed in the LHC for its upgrade to higher luminosity. These magnets' quench protection system will include a combination of quench heaters attached to the coil surfaces and coupling-loss-induced quench (CLIQ) units electrically connected to the magnets. Different protection elements have been characterized separately and simultaneously by implementing them on two 1.2-m-long model quadrupole magnets, tested at Fermi National Acceleration Laboratory and CERN, and one 4-m-long mirror magnet tested at Brookhaven Nation Laboratory. After analyzing the test data, their performances have been positively evaluated. Furthermore, the electrothermal transients occurring after a quench have been simulated with the LEDET software and the results are compared to experimental results. The preferred quench protection system configuration relies both on heaters and CLIQ. This solution is based on electrically robust components, achieves an effective reduction of the coils hot spot temperature after a quench, and offers increased redundancy against component failures.

43 PARTICLE ACCELERATORS↗

DOE OSTI2014

SU-E-T-128: Dosimetric Evaluation of MLC Modeling in Pinnacle V9.2 for Varian TrueBeam STx

Purpose: To evaluate the effects of MLC modeling after commissioning the Varian TrueBeam LINAC in Pinnacle version 9.2. Methods: Stepand-shoot IMRT QAs were investigated when we observed our measured absolute dose results using ion chamber (Capintec PR-05P) were uncharacteristically low; about 4–5% compared to doses calculated by Pinnacle{sup 3} (Phillips, Madison, WI). This problem was predominant for large and highly modulated head and neck (HN) treatments. Intuitively we knew this had to be related to shortcomings in the MLC modeling in Pinnacle. Using film QA we were able to iteratively adjust the MLC parameters. We confirmed results by re-testing five failed IMRT QA patients; and ion chamber measurements were verified in Quasar anthropomorphic phantom. Results: After commissioning the LINAC in Pinnacle version 9.2, the MLC transmission for 6X, 10X and 15X were 2.0%, 1.7% and 2.0%, respectively, and additional Interleaf leakage for all three energies was 0.5%. These parameters were obtained from profiles scanned with an Edge detector (Sun Nuclear, Melbourne, FL) during machine commissioning. A Verification testing with radiographic EDR2 film (Kodak, Rochester, NY) measurement was performed by creating a closed MLC leaf pattern and analyzing using RIT software (RIT, Colorado Springs, CO). This reduced MLC transmission for 6X, 10X and 15X to 0.7%, 0.9% and 0.9%, respectively; while increasing additional Interleaf leakage for all three energies to 1.0%. Conclusion: Radiographic film measurements were used to correct MLC transmission values for step and shoot IMRT fields used in Pinnacle version 9.2. After adjusting the MLC parameters to correlate with the film QA, there was still very good agreement between the Pinnacle model and commissioning data. Using the same QA methodology, we were also able to improve the beam models for the Varian C-series linacs, Novalis-Tx, and TrueBeam M-120 linacs.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2016

SU-F-J-196: A Prototype System for Portal Imaging for Intensity Modulated Neutron Therapy

Purpose: Fast neutron therapy is offered at the University of Washington Medical Center for treatment of selected cancers. The hardware and control systems of the UW Clinical Neutron Therapy System are undergoing upgrades to enable delivery of IMNT. To clinically implement IMNT, dose verification tools need to be developed. We propose a portal imaging system that relies on the creation of positron emitting isotopes ({sup 11}C and {sup 15}O) through (n, 2n) reactions with a PMMA plate placed below the patient. After field delivery, the plate is retrieved from the vault and imaged using a reader that detects the annihilation photons. The pattern of activity produced in the plate provides information to reconstruct the neutron fluence map that can be compared to fluence maps from Monte Carlo (MCNP) simulations to verify treatment delivery. We have previously performed Monte Carlo simulations of the portal imaging system (GATE simulations) and the beam line (MCNP simulations). In this work, initial measurements using a prototype system are presented. Methods: Custom electronics were developed for BGO detectors read out with photomultiplier tubes (previous generation PET detectors from a CTI ECAT 953 scanner). Two detectors were placed in coincidence, with a detector separation of 2 cm. Custom software was developed to create the crystal look up tables and perform a limited angle planar reconstruction with a stochastic normalization. To test the initial capabilities of the system, PMMA squares were irradiated with neutrons at a depth of 1.5 cm and read out using the prototype system. Doses ranging from 10–200 cGy were delivered. Results: Using the prototype system, dose differences in the therapeutic range could be determined. Conclusion: The prototype portal imaging system is capable of detecting neutron doses as low as 10–50 cGy and shows great promise as a patient QA tool for IMNT.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Reaction Rover

Reaction Rover is a software application designed to enable reaction optimization with little or no human intervention and to provide a flexible platform to facilitate rapid testing, automation, and implementation of new reaction optimization algorithms. Toward these goals, Reaction Rover is designed to be modular, allowing the optimization algorithm, analyzer, and reactor components to be changed for any given process using easily integrated plugins. The Reaction Rover platform is a key development that enables the testing, use, and automation of machine learning (ML) and non-ML optimizers in a variety of laboratory situations.

Windus, Theresa↗

DOE OSTI2025

InverseBench: Inverse design benchmark suite that contains inverse problems from science and engineering (InverseBench) v0.0.1

A software package that contains three inverse design blackbox problems to investigate the efficiency and accuracy of inverse design machine learning models. The software contains highly accurate forward machine learning models that can be used to assess the inverse predictions. The package also contains separate test data for each problem. The inverse design problems that are in the package are: airfoil inverse design, scalar boundary reconstruction and photonic surfaces inverse design.

Grbcic, Luka [Lawrence Berkeley National Laborator↗

DOE OSTI2023

Enabling AI in synthetic biology through Construction File specification

The Construction File (CF) specification establishes a standardized interface for molecular biology operations, laying a foundation for automation and enhanced efficiency in experiment design. It is implemented across three distinct software projects: PyDNA_CF_Simulator, a Python project featuring a ChatGPT plugin for interactive parsing and simulating experiments; ConstructionFileSimulator, a field-tested Java project that showcases 'Experiment' objects expressed as flat files; and C6-Tools, a JavaScript project integrated with Google Sheets via Apps Script, providing a user-friendly interface for authoring and simulation of CF. The CF specification not only standardizes and modularizes molecular biology operations but also promotes collaboration, automation, and reuse, significantly reducing potential errors. The potential integration of CF with artificial intelligence, particularly GPT-4, suggests innovative automation strategies for synthetic biology. While challenges such as token limits, data storage, and biosecurity remain, proposed solutions promise a way forward in harnessing AI for experiment design. This shift from human-driven design to AI-assisted workflows, steered by high-level objectives, charts a potential future path in synthetic biology, envisioning an environment where complexities are managed more effectively.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2013

New River Geothermal Exploration (Ram Power Inc.)

The New River Geothermal Exploration (DOE Award No. EE0002843) is located approximately 25km south of the Salton Sea, near town of Brawley in Imperial County and approximately 150km east of San Diego, California. A total of 182 MT Logger sites were completed covering the two separate Mesquite and New River grids. The data was collected over a frequency range of 320Hz to 0.001Hz with variable site spacing. A number of different inversion algorithms in 1D, 2D and 3D were used to produce resistivity-depth profiles and maps of subsurface resistivity variations over the survey area. For 2D inversions, a total of eighteen lines were constructed in east-west and north-south orientations crossing the entire survey area. For MT 3D inversion, the New River property was divided in two sub-grids, Mesquite and New River areas. The report comprises of two parts. For the first part, inversions and geophysical interpretation results are presented with some recommendations of the potential targets for future follow up on the property. The second part of the report describes logistics of the survey, survey parameters, methodology and the survey results (data) in digital documents. The report reviews a Spartan MT survey carried out by Quantec Geoscience Limited over the New River Project in California, USA on behalf of Ram Power Inc. Data was acquired over a period of 29 days from 2010/06/26 to 2010/07/24.

15 GEOTHERMAL ENERGY↗

DOE OSTI2025

AmeriFlux FLUXNET-1F US-MN1 Morris: Corn-Soybean with Cover Crops, Strip Tillage

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-MN1 Morris: Corn-Soybean with Cover Crops, Strip Tillage. This is the FLUXNET version of the carbon flux data for the site US-MN1 Morris: Corn-Soybean with Cover Crops, Strip Tillage produced by applying the standard ONEFlux (1F) software. Site Description - Cropland, 2-year rotation (corn-soybean), strip tillage with winter cover crops (annual rye), nutrient management by soil tests, uniform pest management, tile drainage

Helseth, Christina [USDA-ARS LTAR]↗

DOE OSTI2016

DRSPALL: Impact of the Modification of the Numerical Spallings Model on Waste Isolation Pilot Plant Performance Assessment.

The numerical code DRSPALL (from direct release spallings) is written to calculate the volume of Waste Isolation Pilot Plant (WIPP) solid waste subject to material failure and transport to the surface as a result of a hypothetical future inadvertent drilling intrusion. An error in the implementation of the DRSPALL finite difference equations was discovered as documented in Software Problem Report (SPR) 13-001. The modifications to DRSPALL to correct the finite difference equations are detailed, and verification and validation testing has been completed for the modified DRSPALL code. The complementary cumulative distribution function (CCDF) of spallings releases obtained using the modified DRSPALL is higher compared to that found in previous WIPP performance assessment (PA) calculations. Compared to previous PAs, there was an increase in the number of vectors that result in a nonzero spallings volume, which generally translates to an increase in spallings releases. The overall mean CCDFs for total releases using the modified DRSPALL are virtually unchanged, thus the modification to DRSPALL did not impact WIPP PA calculation results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗