Towards a science exocortex
We propose a science exocortex—a swarm of artificial intelligence (AI) agents coordinating with each other to accomplish tasks, thereby expanding a researcher's cognitive abilities.
36 MATERIALS SCIENCE↗
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Results for “Task 36”
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.
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Synchrotron Facilities: Vibration and Stability Challenge
The new generation of synchrotron accelerator facilities are opening exciting new opportunities in imaging, spectroscopy, structural and dynamic studies, and other applications by pushing the envelope of resolution to just a few nanometers and possibly atomic scale (~1 nm). Achieving such a state of resolution in both space and energy is expected to have broad impact on a wide range of disciplines and scientific initiatives in the coming decades, including new studies of small crystals in structural biology, a wide range of nanometer-resolution probes for nanoscience, properties of materials under extreme conditions, etc. Such performance goals place severe requirements on the quality of the electron and photon beams. Within the synchrotron accelerator envelope, and in addition to the need to maintain the electron beam within an extremely stable orbit in order to realize the benefits of the high brightness and small beam sizes, it is essential that the photon beams are also exceedingly stable in both position and angle. Particularly for timing experiments, it is also necessary that the arrival-time jitter of the bunch be small. Transverse beam motions <10% of beam size or angular spread, and longitudinal beam motion of <5% of equilibrium bunch duration, are typically desired. Ideally, the temporal, spatial, and angular stability of the electron beam should be maintained for at least the duration of spectral scans, which typically run from a few milliseconds to a few hours. Achieving such a level of stability that is ever pushing the envelope is an enormous task, and that is where engineering comes into play.
36 MATERIALS SCIENCE↗
Gradient Amine Sorbents for Low Vacuum Swing CO 2 Capture at Ambient Temperature
The growing concerns over CO 2 emissions have led to the development of various methods for CO 2 capture. CO 2 capture by amine-based sorbents has been achieved by temperature (thermal) swing adsorption (TSA) process, pressure swing adsorption (PSA) process, and temperature pressure or vacuuming swing adsorption (TPSA or TVSA) process for CO 2 capture. Amine sorbents for energy-efficient TSA, PSA, VSA, TPSA or TVSA CO 2 capture should possess a capability which allow adsorbed CO 2 to desorb and amine sorbent to be regenerated at low temperatures or low vacuums. Development of such amine sorbents would significantly decrease energy consumption and sorbent degradation during the regeneration step. The objective of this project is to develop a low vacuum swing adsorption (VSA) process for the capture of CO 2 from air. The focus is on the development of amine sorbent which allows CO 2 to adsorb in the form of weakly adsorbed CO 2 . The weakly adsorbed CO 2 species can be collected from the sorbent by applying a low vacuum at ambient temperature. Specifically, no heating (i.e., thermal energy) is needed for regeneration of amine sorbents. This novel sorbent allows VSA to be operated at ambient temperature without a significant energy demand. This process eliminates the energy-intensive heating and cooling process in temperature swing adsorption (TSA) process. Ambient temperature operation could prolong the lifetime of sorbent and minimize the maintenance cost. Extensive sorbent studies with in-situ infrared spectroscopy have revealed the modifications of conventional amine sorbents with additives can increase the fraction of weakly adsorbed CO 2 . The amine sorbents with loaded CO 2 can be regenerated in part by the following approaches: (i) mild heating to temperatures below 70 °C, (ii) flowing purging gas over modified amine sorbents at temperatures below 40 °C, (iii) vacuuming at pressure below 0.2 atm and temperatures below 40 °C. The performance of these modified amine sorbents has been tested in a 60 grams VSA unit at ambient temperatures. The results show that weakly adsorbed CO 2 which can be desorbed from modified amine sorbents with purging gas at 100 cc/min can also be evacuated at a vacuum of 1 psia at room temperature. A preliminary techno- economic analysis indicates the major cost of the VSA process with modified amine sorbents stems from the operation of vacuum pumps. Thus, developing an excellent sealing with minimum leakage for the VSA unit is the most critical task for further the development of this VSA technology.
36 MATERIALS SCIENCE↗
Multi-objective Bayesian alloy design using multi-task Gaussian processes
In design applications, correlations among material properties (such as the tendency for stronger materials to be less ductile) are often neglected. This approach is echoed in multi-objective optimization techniques which treat each performance characteristic as an independent objective, aiming to optimize scalar functions and find optimal Pareto fronts. However, this overlooks the statistical relationships between performance characteristics inherent in a material system. To address this, we propose the use of Bayesian optimization, a highly efficient black-box optimization algorithm known for constructing Gaussian processes (GPs) – uncorrelated surrogates - to model objective functions. Rather than evaluating multiple GPs for each objective function separately, we argue for a shift towards jointly modeling these objective functions, considering their statistical correlations. This integrated approach utilizes naturally occurring relationships among material properties, providing additional information to enhance the performance of the design framework. This requires the replacement of multiple independent GPs with a single multi-task GP, employing a correlation matrix to construct a multi-task kernel function, wherein each task corresponds to a single objective function. Here, we anticipate this refined methodology will better leverage material correlations, improving design optimization results.
36 MATERIALS SCIENCE↗
US-UK Collaboration on Fossil Energy Advanced Materials: Task 1—Steam Oxidation (NETL-US)
Explore the source record for details and available documents.
36 MATERIALS SCIENCE↗
Production of Medium-Scale Metal Additive Geometry With Hybrid Manufacturing Technology
Oak Ridge National Lab’s (ORNL) Metal Big Area Additive Manufacturing (mBAAM) and Hybrid Manufacturing teams in the Manufacturing Demonstration Facility (MDF) was tasked with developing a part that exceeded 24 inches in length and 100lbs in weight on a laser hotwire welding system. The Mazak VC-500A/5X AM HWD hybrid 5-axis CNC laser hotwire system was leveraged to complete the task. The proposed geometry was manufactured with 410 stainless steel on AISI1018 steel substrate in just over 36 hours of build time. The proposed geometry was sliced and additively manufactured in three segments; the base, and two extrusions measuring 10 inches in length and 14 inches in length. Production of this component demonstrated hybrid capabilities requiring fixed 5-axis rotations to complete geometry that exceeded the defined build volume of the machine. Multiple repairs of the part were conducted in-situ leveraging the additive and subtractive capabilities of the Mazak hybrid system. Significant overbuilding challenges were encountered and manually addressed by leveraging subtractive capabilities of the hybrid system. Future processes are presented for development to reduce overheating of top layers. Final part measurements exceeded 107 lbs. in weight and 24.5 inches in length along the principal axis; the largest and heaviest part created by a hybrid system at the MDF.
Saleeby, Kyle↗
Comparative study of Minnesota functionals performance on ferroelectric BaTiO 3 and PbTiO 3
Density functional theory based simulations are the leading tool for the computational investigation of ferroelectrics and the parametrization of their classical potentials. However, the predictions often depend strongly on the exchange correlation functional. The most popular choices, LDA and GGA, tend to underestimate or overestimate some structural, electric, and energy properties. These impede development of highly accurate classical potentials that extend the reach of first-principles simulations to finite temperatures and realistic sizes. In this work, we investigate the performance of recently developed Minnesota exchange correlation functionals on prototypical ferroelectrics BaTiO 3 , and PbTiO 3 , in comparison with some popular ones. We find that there exists strong correlation between predictions for some properties (tetragonality, phase energy difference, and polarization) by different functionals. Along the correlation line, we find a range of functionals (including some from the Minnesota suite) whose predictions fall in between those of LDA and GGA and, therefore, offer an improvement. A way to relatively rank functional performance with respect to chosen benchmarks is proposed and applied to identify the top performers for BaTiO 3 and PbTiO 3 . Here, the performance is found to be material dependent. Therefore, we propose that the performance assessment carried out in this work is employed to "screen" functionals prior to their use on ferroelectrics. Quick and computationally inexpensive, it is likely to lead to improved descriptions, especially for classical potential parametrization. The Minnesota functional suite is found to be suitable for this task.
36 MATERIALS SCIENCE↗
Final CRADA Report for Small Business Voucher (SBV) Pilot Project with TreadStone Technologies, Inc. – Novel Coating for Fuel Cell Metal Bipolar Plates
Light-weight metal is the preferred material for bipolar plate in the automotive proton exchange membrane (PEM) fuel cell stack. The challenge using metal bipolar plates is the high surface electrical contact resistance and the poor corrosion resistance in PEM fuel cell operation conditions. This SBV project involved specialized capabilities and expertise at Los Alamos National Laboratory (LANL) and Oak Ridge National Laboratory (ORNL) supporting TreadStone Technologies, Inc. and included ex-situ and in-situ drive-cycle tests that incorporated coated metallic bipolar plates (LANL tasks) and analysis of the surface chemistry and microstructure of coatings on stainless steel substrates (ORNL tasks).
30 DIRECT ENERGY CONVERSION↗
Evaluation of Radiation Proofing Polyethylene: Use of Oxygen Scavenging Additives
The degradation of polyethylene (PE) from radiation sources with both thermal and nuclear interactions show sensitivities towards oxygen and air. Characterization of the sensitivities in both inert and oxygenated atmospheres can be characterized by thermogravimetric analysis (TGA). Under argon, the thermal degradation of PE follows a random scission pathway that has activation energy of ~229 kJ mol -1 . The activation energy of PE is reduced by ~30% when 1% air is added to the inert argon atmosphere, illustrating the impact of oxygen on the degradation of PE. This effort seeks to diminish degradation of PE waste containment bags and extend their lifetime, thereby, reducing the cost and worker exposure risk. The project evaluated the use of oxygen scavenger nanoparticles to mitigate the deteriorating effects of oxygen on polymer physical properties and reduce polymer degradation. The thermal degradation of PE composites with various additives were tested and two additives showed promising results approaching the activation energy of pristine PE in an inert atmosphere. This activity was sponsored by the EM Office of Technology Development through SRNL’s Technical Task Plan SR091701.
36 MATERIALS SCIENCE↗
Beam Commissioning Results from the CBETA Fractional Arc Test (CBETA Note 030)
This work describes first commissioning results from the Cornell Brookhaven ERL Test Accelerator fractional arc test. These include the recommissioning of the Cornell photoinjector, the first full energy operation of the main linac with beam, as well as commissioning of the lowest energy matching beamline (splitter) and a partial section of the Fixed Field Alternating gradient (FFA) return loop featuring first production Halbach style permanent magnets. Achieving these tasks required characterization of the injection beam, calibration and phasing of the main linac cavities, demonstration of the required 36 MeV energy gain, and measurement of the splitter line horizontal dispersion and R 56 at the nominal 42 MeV. In addition, a procedure for determining the BPM offsets, as well as the tune per cell in the FFA section via scanning the linac energy and inducing betatron oscillations around the periodic orbit in the fractional arc was developed and tested. A detailed comparison of these measurements to simulation is discussed.
43 PARTICLE ACCELERATORS↗
Control of the Plasma-Material Interface for Long Pulse Optimization in the Experimental Advanced Superconducting Tokamak (EAST) (Final Report)
This project involved a collaborative effort, led by Dr. Rajesh Maingi of Princeton Plasma Physics Laboratory, to understand and control the plasma-material interface to improve long pulse discharge control and performance in the EAST devices. The focus is on long pulse recycling control and optimization, which can be challenging because of their broad range of materials used for plasma-facing components (PFC) and wall conditioning techniques. The purpose of the EAST device is to demonstrate long-pulse, stable, high performance plasma operation, providing a test-bed for key physics and technology issues for next step devices. As part of these tests, EAST has deployed carbon for the lower divertor PFC, tungsten for the upper divertor, and molybdenum for the main wall. In addition wall coatings are deployed for long pulse recycling control: lithium (Li) via several delivery tools, boronization, and recently also siliconization; for example, in 2013, a layer of SiC was deposited on all of the graphite tiles. Oxygen is also present at trace levels, making for a complex mix of materials and plasma-materials interactions (PMI). This mix of materials and the limited durability of wall coatings, coupled to partially optimized cryo-pumping, lead to evolution of the recycling off the PFCs, which restricts the duration of stationary, high performance, long pulse discharges. Comparing the wall conditioning techniques, Li enables the highest energy confinement and lowest recycling for the longest duration, while also suppressing ELMs in certain discharges. More specifically, research activities at the University of Tennessee focused on heat flux profile measurements in EAST, modeling the surface response, including the bonding energetics and chemical interactions between Li with carbon, tungsten, hydrogen and impurities, in addition to post situ experimental characterization and analysis of the divertor plasma facing components in EAST. This final report describes the overall progress within each of these tasks at the University of Tennessee within the project.
36 MATERIALS SCIENCE↗
US-UK Phase 3 Task 5 Advanced Manufacturing & Repair: NETL
This document is a workshop describing methods for advanced manufacturing and repair.
36 MATERIALS SCIENCE↗
Continuum Model Development for Electrochemical Systems (Statement of Work: Ilenia Battiato Subcontract)
The subcontractor shall provide the services of qualified multiscale modelers to perform tasks that contribute to reaching the objectives of the LDRD project entitled Automated and Accelerated Continuum Model Development for Electrochemical Systems (Tracking number 24-ERD-051). These tasks relate to the development, deployment, and validation of multiscale models relevant to electrochemical systems.
36 MATERIALS SCIENCE↗
Center for Bio-Inspired Energy Science (CBES) (Final Report)
The goal of the EFRC on Bio-Inspired Energy Science (CBES) has been to create and understand materials and systems inspired by biology, seeking to innovate on energy utilization and its environmental implications. In the most recent two-year funding cycle (2022–2024), we extended strategic projects from each of the five tasks from the previous cycle. This work offers important advances in how soft matter can be used to convert and store energy. We briefly summarize selected key accomplishments from each task below.
10 SYNTHETIC FUELS↗
ASME Code Development: Design Rules
ASME Code Development: Design Rules, ASME BPVC, and ASME BPVC HHA-3000, Design Task Group Papers, Presentations, and Memorandums, and records.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
LUNGx Challenge for computerized lung nodule classification
The purpose of this work is to describe the LUNGx Challenge for the computerized classification of lung nodules on diagnostic computed tomography (CT) scans as benign or malignant and report the performance of participants’ computerized methods along with that of six radiologists who participated in an observer study performing the same Challenge task on the same dataset. The Challenge provided sets of calibration and testing scans, established a performance assessment process, and created an infrastructure for case dissemination and result submission. We present ten groups that applied their own methods to 73 lung nodules (37 benign and 36 malignant) that were selected to achieve approximate size matching between the two cohorts. Area under the receiver operating characteristic curve (AUC) values for these methods ranged from 0.50 to 0.68; only three methods performed statistically better than random guessing. The radiologists’ AUC values ranged from 0.70 to 0.85; three radiologists performed statistically better than the best-performing computer method. The LUNGx Challenge compared the performance of computerized methods in the task of differentiating benign from malignant lung nodules on CT scans, placed in the context of the performance of radiologists on the same task. Lastly, the continued public availability of the Challenge cases will provide a valuable resource for the medical imaging research community.
62 RADIOLOGY AND NUCLEAR MEDICINE↗
Photovoltaic Cable Jackets: A Comparison of Representative Products Using Combined-Accelerated Stress Testing [Slides]
Photovoltaic (PV) cables facilitate the distribution of electricity collected from modules to the energy grid. Durable cabling enables continuous operation of PV installations, whereas cables with a lifetime less than the modules must be replaced - reducing electricity generation and adding to the operating expense. This study primarily focusses on the aging of the key cable types using the combined-accelerated stress testing (C-AST) protocol. Representative cables for utility, building, and control/auxiliary applications were examined. Cable jacket materials examined include: polyolefin, polyethylene, polyamide, poly(vinyl chloride), chlorinated polyethylene, thermoplastic elastomer, and ethylene propylene diene monomer rubber. Specimen characterizations applied include: optical microscopy, mechanical profilometry, instrumented indentation, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), Fourier-transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), and differential scanning calorimetry (DSC). A variety of performance and durability characteristics were observed, depending on the base material, polymer formulation, and jacket color. The results from C-AST are analyzed and discussed relative to a recent industry survey on electronic balance of system components in addition to a recent study where similar cables were aged using steady state ultraviolet weathering (International Electrotechnical Commission Technical Specification 62788-7-2). Recommendations are made for the screening, industry qualification, and service life prediction of PV cable jackets.
24 POWER TRANSMISSION AND DISTRIBUTION↗
Hierarchical Gaussian process-based Bayesian optimization for materials discovery in high entropy alloy spaces
Bayesian optimization (BO) is a powerful and data-efficient method for iterative materials discovery and design, particularly valuable when prior knowledge is limited, underlying functional relationships are complex or unknown, and the cost of querying the materials space is significant. Traditional BO methodologies typically utilize conventional Gaussian Processes (cGPs) to model the relationships between material inputs and properties, as well as correlations within the input space. However, cGP-BO approaches often fall short in multi-objective optimization scenarios, where they are unable to fully exploit correlations between distinct material properties. Leveraging these correlations can significantly enhance the discovery process, as information about one property can inform and improve predictions about others. Here, this study addresses this limitation by employing advanced kernel structures to capture and model multi-dimensional property correlations through multi-task (MTGPs) or deep Gaussian Processes (DGPs), thus accelerating the discovery process. We demonstrate the effectiveness of MTGP-BO and DGP-BO in rapidly and robustly solving complex materials design challenges that occur within the context of complex multi-objective optimization over FCC FeCrNiCoCu high entropy alloy (HEA) spaces, where traditional cGP-BO approaches fail. Furthermore, we highlight how the differential costs associated with querying various material properties can be strategically leveraged to make the materials discovery process more cost-efficient.
36 MATERIALS SCIENCE↗