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Results for “High Temperature Methods”

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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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Simulation studies of polypeptoids using replica exchange with dynamical scaling and dihedral biasing

Polypeptoids differ from polypeptides in that the amide bond can more frequently adopt both cis and trans conformations. The transition between the two conformations requires overcoming a large energy barrier, making it difficult for conventional molecular simulations to adequately visit the cis and trans structures. A replica-exchange method is presented that allows for easy rotations of the amide bond and also an efficient linking to a high temperature replica. The method allows for just three replicas (one at the temperature and Hamiltonian of interest, a second high temperature replica with a biased dihedral potential, and a third connecting them) to overcome the amide bond sampling problem and also enhance sampling for other coordinates. Here our results indicate that for short peptoid oligomers, the conformations can range from all cis to all trans with an average cis/trans ratio that depends on side chain and potential model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Synthesis method comparison of compositionally complex rare earth-based Ruddlesden–Popper n = 1 T'-type cuprates

The multicomponent approach has been successfully expanded to the Ruddlesden–Popper structure with the synthesis of two different high-entropy cuprate compositions: (La 0.2 Nd 0.2 Gd 0.2 Tb 0.2 Dy 0.2 ) 2 CuO 4 and (La 0.2 Pr 0.2 Nd 0.2 Sm 0.2 Eu 0.2 ) 2 CuO 4 . Additionally, the effect of synthesis method is explored using both solid-state reaction and polymeric steric entrapment (PSE) methods. It is found that PSE leads to more randomly distributed cation species, providing an advantageous method of synthesis for the growing field of high entropy oxides. In situ high-temperature x-ray diffraction tracks the amorphous to crystalline phase transformation in (La 0.2 Nd 0.2 Gd 0.2 Tb 0.2 Dy 0.2 ) 2 CuO 4 powder, synthesized using the PSE method. Using the High-Temperature XRD data, a method for gaining information on the kinetic behavior is also applied. Magnetometry of both compositions indicates ferrimagnetic behavior at low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Structural analysis of molten materials by a remote fiber optic Raman sensor

This study presents a novel in situ high-temperature fiber optic Raman probe that enables the study of the physical properties and structure of molten samples at temperatures up to 1400 °C. To demonstrate the functionality of the high-temperature fiber optic Raman probe, different composition mold fluxes were evaluated in this report. The Raman spectra at flux molten temperature were successfully collected and analyzed. A deconvolution algorithm was employed to identify peaks in the spectra associated with the molecular structure of the components in each sample. Here, the experimental results demonstrate that the composition-dependent Raman signal shift can be detected at high temperatures, indicating that molten materials analysis using a high-temperature Raman system shows significant promise. This flexible and reliable high-temperature Raman measurement method has great potential for various applications, such as materials development, composition and structure monitoring during high-temperature processing, chemical identification, and process monitoring in industrial production.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Total-Ionizing-Dose Effects on Long-term Data Retention Characteristics of Commercial 3-D NAND Memories

This article evaluates the data retention characteristics of irradiated multi-level cell (MLC) 3-D NAND flash memories. We irradiate the memory chips by a Co-60 gamma-ray source for up to 50 krad(Si) and then write a random data pattern on the irradiated chip to find its retention characteristics. The experimental results show that the data retention property of the irradiated chips is significantly degraded compared to the un-irradiated ones. We evaluate two independent strategies to improve the data retention characteristics of the irradiated chips. Furthermore, the first method involves high-temperature annealing of the irradiated chip while the second method suggests pre-programming the memory modules before deploying them in radiation-prone environments.

3-D NAND flash↗
DOE OSTI2025

Methods for Rotating Electrodes in High-Temperature Molten Salts

Abstract In this paper, we describe and validate a custom apparatus for performing high-speed (250-3,500 rpm) rotating electrode and dilatometer density experiments in molten salts. The reported details can aid in decreasing the difficulty and increasing the quality of such experiments. We discuss the design challenges and the solutions identified. We investigate methods for accurately measuring the solution resistance using electrochemical impedance spectroscopy, calculating the working electrode area using cyclic voltammetry, and measuring the mass transfer-limited current of rotating electrodes using a series of chronoamperometry pulses. We further demonstrate the efficacy of our methods in producing accurate results.

Fuller, Ranon (ORCID:0000000255400197)↗
DOE OSTI2024

Radiation Damage Mitigation in FeCrAl Alloy at Sub-Recrystallization Temperatures

Traditional defect recovery methods rely on high-temperature annealing, often exceeding 750 °C for FeCrAl. In this study, we introduce electron wind force (EWF)-assisted annealing as an alternative approach to mitigate irradiation-induced defects at significantly lower temperatures. FeCrAl samples irradiated with 5 MeV Zr 2+ ions at a dose of 10 14 cm −2 were annealed using EWF at 250 °C for 60 s. We demonstrate a remarkable transformation in the irradiated microstructure, where significant increases in kernel average misorientation (KAM) and low-angle grain boundaries (LAGBs) typically indicate heightened defect density; the use of EWF annealing reversed these effects. X-ray diffraction (XRD) confirmed these findings, showing substantial reductions in full width at half maximum (FWHM) values and a realignment of peak positions toward their original states, indicative of stress and defect recovery. To compare the effectiveness of EWF, we also conducted traditional thermal annealing at 250 °C for 7 h, which proved less effective in defect recovery as evidenced by less pronounced improvements in XRD FWHM values.

FeCrAl alloys↗
DOE OSTI2021

A method for predicting failure statistics for steady state elevated temperature structural components

This paper presents the initial development of a high temperature life prediction method that accounts for the variability in the material properties of Grade 91 steel. The method accounts for material variability by fitting a variable 3-parameter Weibull distribution to experimental rupture data and accounts for the variability of creep deformation on the steady-state stresses via a Monte Carlo approach. To ensure reasonable computational times, the model represents the material as an extremely viscous Stokes fluid with a non-Newtonian viscosity, therefore solving the stress relaxation problem with a steady, static, instead of transient, analysis. Furthermore, the complete statistical analysis combines this model for creep deformation with a probabilistic model for creep rupture to evaluate the probability of premature failure for a set of sample problems, comparing the predicted failure statistics to the design life predicted by the ASME Boiler and Pressure Vessel Code rules.

42 ENGINEERING↗
DOE OSTI2025

Summary Report Of The FY25 Reactor Physics Verification And Validation Exercises In The Advanced Reactor Technologies - Gas-cooled Reactor Program

Valdiation and verification of numerical tools is critical for ensuring reasonable predictions for design scoping, licensing, and safety analsyis. In this report, two reactor physics verification and validation exercises are presented. The first of these exercises focuses on burnup analysis with data from the Advanced Gas Reactor (AGR) program. Simulations are performed with Monte Carlo N-Particle (MCNP) and are compared with the experimental measurements for the AGR 1 and 2 experiments that utilize both UCO and UO2 fuel. The second exercises utilizes data from the HTR-Proteus experiments to perform reactor physics validation. Specifications of the experimental facility are provdied, along with a demonstration of initial modeling efforts in Serpent for one of the determistic packing experiments. Both cases are part of the Generation-IV international forum (GIF) Very High-Temperature Reactor (VHTR) Computational Methods, Validation, and Benchmarking (CMVB) program, an international collaborative organization dedicated to the verification and validation of High-Temperature Gas-Cooled Reactor (HTGR) analysis. Participation in the CMVB allows the US Department of Energy (DOE) to leverage these existing validation activities to provide extra value through benchmarking activities with other CMVB members.

and Benchmarking (CMVB) program↗
DOE OSTI2021

Systems and methods for enhancing isolation of high-temperature reactor containments

A high-temperature containment-isolation system for transferring heat from a nuclear reactor containment to a high-pressure heat exchanger is presented. The system uses a high-temperature, low-volatility liquid coolant such as a molten salt or a liquid metal, where the coolant flow path provides liquid free surfaces a short distance from the containment penetrations for the reactor hot-leg and the cold-leg, where these liquid free surfaces have a cover gas maintained at a nearly constant pressure and thus prevent high-pressures from being transmitted into the reactor containment, and where the reactor vessel is suspended within a reactor cavity with a plurality of refractory insulator blocks disposed between an actively cooled inner cavity liner and the reactor vessel.

Peterson, Per F.↗
DOE OSTI2024

Synthesizing Highly Crystalline Graphite Powder from Bulk Polyethylene Waste for Lithium-Ion Battery Anodes

Upcycling plastic waste into graphite can potentially be used, in conjunction with other methods, to manage existing waste materials and diversify graphite supply chains. However, synthesizing large quantities of crystalline graphite powder from plastic waste, particularly polyethylene (PE), remains a challenge because PE decomposes into light gases during thermal processing and simple methods do not exist at any appreciable size scale to address this challenge. In this work, a method is developed for air processing bulk forms of PE waste to create stable carbon char that does not readily decompose during high-temperature processing. This method employs solid additives in the form of salts, which are combined with the PE melt during air processing to increase the effective surface area of the melt and improve the oxygen-driven chemistry that stabilizes PE for high-temperature processing. After removal of the solid salt additives from the PE-derived char, it is converted into a highly crystalline bulk graphite powder using an Fe-based catalytic process. The PE-derived graphite anode in a lithium-ion coin cell showed a specific capacity of 345 mAh/g at 0.05C with an initial Coulombic efficiency of 87% and reversible capacity retention of ~100% at different current rates. It also showed a specific capacity of up to 313 mAh/g at 0.5 discharge/charge cycles per hour (0.5C) and Coulombic efficiency of 99.9% after 250 cycles, indicating excellent electrochemical performance as an anode material for lithium-ion batteries. This method illustrates that there are opportunities for upcycling large quantities of PE waste to produce graphite powders suitable for use in LIBs.

25 ENERGY STORAGE↗
DOE OSTI2021

Draft Rules for Alloy 617 Creep-Fatigue Design Using an EPP+SMT Approach

The report describes an improved new creep-fatigue design method for structural components in high temperature nuclear service. The new method uses an integrated elastic-perfectly plastic (EPP) analysis and Simplified Model Test (SMT) approach that greatly simplifies the design process by avoiding the separate evaluation of creep and fatigue damages and eliminating the requirement of stress classification. The report includes draft design rules, presented in a format compatible with an ASME nuclear Code Case, as well as a commentary on the rules and the validation of the rules using pressurized SMT (p-SMT) test data. Areas of potential improvement have been identified for further evaluation. The report also develops EPP+SMT design charts for Alloy 617 at temperatures between 800°C and 950°C by extrapolating high strain range, short hold test data to low strain range and long hold times, typical for structural components in high temperature nuclear service. The design charts are currently limited to 10,000 cycles to avoid excessive extrapolation outside the test database. More robust alternate extrapolation procedures will be considered in future work. The report includes several verification problems comparing the new EPP+SMT design method with current ASME creep-fatigue design methods. The comparison demonstrates that the EPP+SMT method significantly reduces the over-conservatism in current methods. Finally, the report includes a fully-documented sample problem with multiple load cases detailing the application of proposed EPP+SMT design rules.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Oxidation Resistance in 1200°C Steam of a FeCrAl Alloy Fabricated by Three Metallurgical Processes

Abstract FeCrAl alloys are a leading candidate material for accident tolerant fuel cladding due to their good performance in both normal light-water reactor operating conditions as well as their resilience to high-temperature accident scenarios. For commercial-scale production, new fabrication techniques need to be investigated. In this study, the effects of fabrication methods on the high-temperature steam oxidation performance of C26M (Fe12Cr6Al2Mo in wt.%) were investigated. Three variants of C26M were manufactured: wrought (cast and forged) (WC26M), powder metallurgy hot isostatic pressing (PMC26M), and laser powder bed fusion additive manufacturing (AMC26M). All three variants were exposed to steam at 1200°C for 2 h. Results showed no significant variation in mass change between the variants after steam exposure. All three variants effectively formed stable protective alumina films with ~0.6–1.3 µ m thickness. This study suggests FeCrAl alloys have excellent resilience to high-temperature steam in nuclear reactor accident scenarios regardless of the fabrication method.

Materials Science↗
DOE OSTI2022

Newton trust-region methods with primary variable switching for simulating high temperature multiphase porous media flow

Coupling multiphase flow with energy transport due to high temperature heat sources introduces significant new challenges since boiling and condensation processes can lead to dry-out conditions with subsequent re-wetting. The transition between two-phase and single-phase behavior can require changes to the primary dependent variables adding discontinuities as well as extending constitutive nonlinear relations to extreme physical conditions. Practical simulations of large-scale engineered domains lead to Jacobian systems with a very large number of unknowns that must be solved efficiently using iterative methods in parallel on high-performance computers. Performance assessment of potential nuclear repositories, carbon sequestration sites and geothermal reservoirs can require numerous Monte-Carlo simulations to explore uncertainty in material properties, boundary conditions, and failure scenarios. Due to the numerical challenges, standard NR iteration may not converge over the range of required simulations and require more sophisticated optimization method like trust-region. In this study, we use the open-source simulator PFLOTRAN for the important practical problem of the safety assessment of future nuclear waste repositories in the U.S. DOE geologic disposal safety assessment Framework. The simulator applies the PETSc parallel framework and a backward Euler, finite volume discretization. We demonstrate failure of the conventional NR method and the success of trust-region modifications to Newton’s method for a series of test problems of increasing complexity. Trust-region methods essentially modify the Newton step size and direction under some circumstances where the standard NR iteration can cause the solution to diverge or oscillate. Furthermore, we show how the Newton Trust-Region method can be adapted for Primary Variable Switching (PVS) when the multiphase state changes due to boiling or condensation. The simulations with high-temperature heat sources which led to extreme nonlinear processes with many state changes in the domain did not converge with NR, but they do complete successfully with the trust-region methods modified for PVS. This implementation effectively decreased weeks of simulation time needing manual adjustments to complete a simulation down to a day. Finally, we show the strong scalability of the methods on a single node and multiple nodes in an HPC cluster.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Synthesizing Highly Crystalline Graphite Powder from Bulk Polyethylene Waste for Lithium-Ion Battery Anodes

Upcycling plastic waste into graphite can potentially be used, in conjunction with other methods, to manage existing waste materials and diversify graphite supply chains. However, synthesizing large quantities of crystalline graphite powder from plastic waste, particularly polyethylene (PE), remains a challenge because PE decomposes into light gases during thermal processing, and simple methods do not exist at any appreciable size scale to address this challenge. In this work, a method is developed for air processing bulk forms of PE waste to create a stable carbon char that does not readily decompose during high-temperature processing. This method employs solid additives in the form of salts, which are combined with the PE melt during air processing to increase the effective surface area of the melt and improve the oxygen-driven chemistry that stabilizes the PE for high-temperature processing. After removing the solid salt additives from the PE-derived char, it is converted into a highly crystalline bulk graphite powder using a Fe-based low-temperature (<1500 °C) catalytic process. The PE-derived graphite powder showed excellent electrochemical performance as an anode material for lithium-ion batteries (LIBs) with a capacity of up to 302 mAh/g at 0.5 discharge/charge cycles per hour (0.5 C) and capacity retention of 100% after 415 cycles. This method illustrates there are opportunities for upcycling large quantities of PE waste to produce graphite powders.

Huynh, Ngoc Tien [NETL Site Support Contractor, Na↗
DOE OSTI2024

Synthesizing Highly Crystalline Graphite Powder from Bulk Polyethylene Waste for Lithium-Ion Battery Anodes

Upcycling plastic waste into graphite can potentially be used, in conjunction with other methods, to manage existing waste materials and diversify graphite supply chains. However, synthesizing large quantities of crystalline graphite powder from plastic waste, particularly polyethylene (PE), remains a challenge because PE decomposes into light gases during thermal processing, and simple methods do not exist at any appreciable size scale to address this challenge. In this work, a method is developed for air processing bulk forms of PE waste to create a stable carbon char that does not readily decompose during high-temperature processing. This method employs solid additives in the form of salts, which are combined with the PE melt during air processing to increase the effective surface area of the melt and improve the oxygen-driven chemistry that stabilizes the PE for high-temperature processing. After removing the solid salt additives from the PE-derived char, it is converted into a highly crystalline bulk graphite powder using a Fe-based low-temperature (<1500 °C) catalytic process. The PE-derived graphite powder showed excellent electrochemical performance as an anode material for lithium-ion batteries (LIBs) with a capacity of up to 302 mAh/g at 0.5 discharge/charge cycles per hour (0.5 C) and capacity retention of 100% after 415 cycles.

Huynh, Ngoc Tien↗
DOE OSTI2022

Direct and Sensitive Electrochemical Evaluation of Pramipexole Using Graphitic Carbon Nitride (gCN) Sensor

Pramipexole (PMXL) belongs to the benzothiazole class of aromatic compounds and is used in treating Parkinson’s disease; however, overdosage leads to some abnormal effects that could trigger severe side effects. Therefore, it demands a sensitive analytical tool for trace level detection. In this work, we successfully developed an electrochemical sensor for the trace level detection of PMXL, using the voltammetric method. For the analysis, graphitic carbon nitride (gCN) was opted and synthesized by using a high-temperature thermal condensation method. The synthesized nanoparticles were employed for surface characterization, using transmission electron microscopy (TEM), X-ray diffraction (XRD), and atomic force microscopy (AFM) techniques. The electrochemical characterization of the material was evaluated by using the electrochemical impedance spectroscopy (EIS) technique to evaluate the solution–electrode interface property. The cyclic voltammetry (CV) behavior of PMXL displayed an anodic peak in the forward scan, indicating that PMXL underwent electrooxidation, and an enhanced detection peak with lower detection potential was achieved for gCN-modified carbon paste electrode (gCN·CPE). The influence of different parameters on the electrochemical behavior was analyzed, revealing the diffusion governing the electrode process with an equal number of hydronium ions and electron involvement. For the fabricated gCN·CPE, good linearity range was noticed from 0.05 to 500 µM, and a lower detection limit (L D ) of 0.012 µM was achieved for the selected concentration range (0.5 to 30 µM). Selectivity of the electrode in PMXL detection was investigated by conducting an interference study, while the tablet sample analysis demonstrates the sensitive and real-time application of the electrode. The good recovery values for the analysis illustrate the efficiency of the electrode for PMXL analysis.

36 MATERIALS SCIENCE↗