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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Radially resolved active charge exchange measurements of the hydrogenic isotope fraction on DIII-D

Radially resolved hydrogenic isotope fraction measurement capabilities have been developed for DIII-D using the main-ion charge exchange recombination (MICER) spectroscopy system in preparation for mixed hydrogen and deuterium experiments. Constraints on the hydrogenic ion temperatures and velocities based on measurements of the impurity ion properties are required to accurately fit the spectrum. Corrections for cross sectional distortions, spatial smearing due to the halo, and a neoclassical offset between the impurity and hydrogenic toroidal rotation are applied to the constraints prior to fitting the MICER spectrum. Extensive atomic physics calculations have been performed using the FIDASIM code, which has recently been improved to allow simulations using mixtures of hydrogenic species. Overall, these results demonstrate that for the same plasma parameters, the Dα emission is 20%–30% brighter than Hα due to differences in rate coefficients associated with the different ion thermal velocities for the same temperature and therefore must be taken into consideration when calculating absolute densities. However, despite these differences, the absolute error when estimating the hydrogen isotope fraction [n H /(n H + n D )] by using the Hα radiance fraction [L Hα /(L Hα + L Dα )] is typically less than 5% due to the way the fraction is formed, making the radiance fraction a reasonably accurate estimate of the isotope fraction for most cases.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Effects of hydrogen isotope species on ITG microturbulence in LHD

Abstract The linear and nonlinear effects of hydrogen isotope species on ion temperature gradient (ITG) instability in the Large Helical Device (LHD) stellarator are studied using radially global gyrokinetic simulation. We found that the coupling range of linear toroidal harmonics depends on the ion mass of the hydrogen isotope. The growth rates of ITG mode are almost the same for H, D, and T plasmas, indicating a gyro-Bohm scaling of ion-mass dependence. The nonlinear electrostatic simulations show that the zonal flow breaks the radially elongated eigenmode structures and reduces the size of the turbulence eddies, which suppresses the turbulence and the ion heat transport in the LHD. The turbulence amplitude without the zonal flow is almost the same for H, D, and T plasmas, while it decreases with increasing ion mass of the hydrogen isotope when the zonal flow is present. The reduction of the turbulent transport with larger ion mass is mostly due to the enhancement of zonal flows by larger ion mass. The ion heat conductivity deviates from the gyro-Bohm scaling for both cases with and without the zonal flow.

Physics↗
DOE OSTI2025

Experimental determination of hydrogen isotopic equilibrium in the system H 2 O (l) -H 2(g) from 3 to 90 °C

Molecular hydrogen (H 2 ) is found in a variety of settings on and in the Earth from low-temperature sediments to hydrothermal vents, and is actively being considered as an energy resource for the transition to a green energy future. The hydrogen isotopic composition of H 2 , given as D/H ratios or δD, varies in nature by hundreds of per mil from ∼−800 ‰ in hydrothermal and sedimentary systems to ∼+450 ‰ in the stratosphere. This range reflects a variety of processes, including kinetic isotope effects associated with formation and destruction and equilibration with water, the latter proceeding at fast (order year) timescales at low temperatures (<100 °C). At isotopic equilibrium, the D/H fractionation factor between liquid water and hydrogen ( D α H2O(l)-H2(g) ) is a function of temperature and can thus be used as a geothermometer for H 2 formation or re-equilibration temperatures. Multiple studies have produced theoretical calculations for hydrogen isotopic equilibrium between H 2 and water vapor. However, only three published experimental calibrations used in geochemistry exist for the H 2 O-H 2 system: two between 51 and 742 °C for H 2 O (g) -H 2(g) (Suess, 1949, Cerrai et al., 1954), and one in the H 2 O (l) -H 2(g) system for temperatures <100 °C (Rolston et al., 1976). Despite these calibrations existing, there is uncertainty on their accuracy at low temperatures (<100 °C; e.g., Horibe and Craig, 1995).

08 HYDROGEN↗
DOE OSTI2026

Electrochemical hydrogen isotope fractionation - fundamental insights leading to process scale up

Introduction Deuterium and tritium, the two isotopes of hydrogen besides protium, are utilized in many industries. Deuterium is routinely used as a nuclear reactor moderator and molecular labeling agent, while tritium is used as an autoradiography label in medical imaging, and in an emerging market for self-powered lighting for watches, exit signs, firearm night-sights and future fusion fuel. Tritium is produced naturally at very low steady-state levels due to cosmic rays, natural nuclear decay reactions, as well as commercial nuclear fission reactors, and terrestrial nuclear testing conducted primarily in the mid-twentieth century. Tritium often accumulates in the heavy water used in nuclear fission reactors and sometimes appears in groundwater near nuclear reactors due to slight leakage from water sources in the reactor. Because of the health and environmental impacts from tritium leaking into the water sources, as well as the value of this precious material, it is desirable to remove and recover as much tritium as reasonably possible from contaminated water.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

The molten salt tritium transport experiment: A pumped fluoride salt loop for hydrogen isotope experimentation

Molten salt reactors (MSRs) and fusion reactors propose to use molten salts as coolants and breeder blanket materials, respectively. Tritium, however, poses safety concerns in both reactor types due to its ability to permeate through reactor materials and potential for environmental release. This manuscript addresses the tritium transport phenomena in molten salts and presents the design and analysis of the Molten Salt Tritium Transport Experiment (MSTTE). MSTTE is a forced-convection fluoride salt loop intended to measure hydrogen isotope permeation through structural materials in a flowing salt system. In the first phase, MSTTE will use FLiNaK salt and deuterium as surrogates for FLiBe and tritium, with future plans to utilize tritium and FLiBe. MSTTE couples a Copenhagen Atomics pumped salt loop with an external test section that introduces hydrogen isotopes into the loop and measures transport phenomena. The Hydrogen Injection System (HIS) controls hydrogen isotope introduction into the molten salt loop. Here, the permeation test section measures the permeation rate through stainless steel tubing in contact with flowing salt. Computational fluid dynamics (CFD) analysis ensures fully developed salt flow in the permeation test section. MSTTE is modeled with MELCOR-TMAP to predict the permeation rate as a function of experimental variables such as source term, salt flow rate, and salt temperature. Results indicate that the source term is the only parameter with a significant effect on the permeation rate. Pressure drop analysis suggests that the loop should operate below 200 LPM to maintain a pressure drop below 200 kPa. Additionally, finite-element analysis assesses thermal stress during loop operation to ensure the experiment's safe design. MSTTE will provide semi-integral data on tritium transport phenomena in molten salts and serve as a testbed for advancing molten salt technology.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Comparison of Designs of Hydrogen Isotope Separation Columns by Numerical Modeling

Mixtures of gas-phase hydrogen isotopologues (diatomic combinations of protium, deuterium, and tritium) can be separated using columns containing a solid such as palladium that reversibly absorbs hydrogen. A temperature-swing process can transport hydrogen into or out of a column by inducing temperature-dependent absorption or desorption reactions. Here, we consider two designs: a thermal cycling absorption process, which moves hydrogen back and forth between two columns, and a simulated moving bed (SMB), where columns are in a circular arrangement. We present a numerical mass and heat transport model of absorption columns for hydrogen isotope separation. It includes a detailed treatment of the absorption–desorption reaction for palladium. By comparing the isotope concentrations within the columns as a function of position and time, we observe that SMB can lead to sharper separations for a given number of thermal cycles by avoiding the remixing of isotopes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Demystify radiation-enhanced hydrogen isotope diffusion in Fe-Ni-Cr austenitic stainless steels

Understanding and containing hydrogen isotope diffusion is crucial for many nuclear applications. In situ experiments have consistently shown that radiation significantly enhances isotope diffusion in austenitic stainless steels. Despite extensive research, the mechanism behind this phenomenon remains elusive, as most radiation-induced defects (e.g., vacancies, dislocations, and grain boundaries) typically trap hydrogen, thereby slowing diffusion. While grain boundaries may increase in-plane diffusivity and interstitials may enhance diffusion due to material swelling, these effects are relatively minor. Utilizing an Fe-Ni-Cr-H interatomic potential for stainless steels, we conducted extensive molecular dynamics simulations to investigate the origins of radiation-enhanced diffusion. Here, our findings reveal that when a system is resolidified, mimicking defects created by radiation displacements, the resulting structure contains a mixture of phases, boundaries, and dislocation networks. This defective structure significantly increases hydrogen diffusivity, enhancing it by approximately 1.7 times at 900 K. These results suggest that the complex defect structures formed during radiation displacements are the primary drivers of the observed diffusion enhancement, providing valuable insights into the mechanisms underlying radiation-enhanced diffusion in nuclear materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Enhancing analytical merits of laser-induced breakdown spectroscopy of hydrogen isotopes using an orthogonal double-pulsing scheme

Accurate detection and quantification of hydrogen isotopes in solid materials are vital for diverse applications, including fusion energy, hydrogen storage, and tritium production. Laser-induced breakdown spectroscopy (LIBS) is a well established, rapid, standoff method for this purpose, but it faces challenges related to the analytical merits required for isotopic analyses. In this study, we enhance the analytical and detection capabilities of traditional single-pulse LIBS by implementing an orthogonal double pulsing approach, focusing on the analysis of a range of 2 H concentrations in Zircaloy-4 substrates (acting as a proxy for 3 H). The double-pulse experiments employed an orthogonal re-heating configuration with two nanosecond Nd:YAG lasers. We systematically evaluated critical parameters affecting the signal intensity in double-pulse LIBS, including interpulse delay, ambient gas pressure, and heating laser energy. Finally, our results demonstrate that employing an orthogonal double-pulse scheme significantly enhances 2 H α emission while minimizing line broadening and self-absorption, ultimately improving the technique’s analytical capabilities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Hydrogen isotope analysis in W-tiles using fs-LIBS

Abstract Laser-Induced Breakdown Spectroscopy (LIBS) is a promising technology for in-situ analysis of Plasma-Facing Components in magnetic confinement fusion facilities. It is of major interest to monitor the hydrogen isotope retention i.e. tritium and deuterium over many operation hours to guarantee safety and availability of the future reactor. In our studies we use ultraviolet femtosecond laser pulses to analyze tungsten (W) tiles that were exposed to a deuterium plasma in the linear plasma device PSI-2, which mimics conditions at the first wall. A high-resolution spectrometer is used to detect the Balmer- $$\alpha$$ α transition of the surface from implanted hydrogen isotopes (H and D). We use Calibration Free CF-LIBS to quantify the amount of deuterium stored in W. This proof-of-principle study shows the applicability of femtosecond lasers for the detection of low deuterium concentration as present in first wall material of prevailing fusion experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Novel Calibration Approach for Monitoring Aerosol Hydrogen Isotopes Using Laser-Induced Breakdown Spectroscopy for Molten Salt Reactor Off-Gas Streams

Online monitoring is a key challenge for the continued development of molten salt reactor (MSR) technology. Laser-induced breakdown spectroscopy (LIBS) has previously been demonstrated to be a viable tool for monitoring aerosolized species and noble gases in real time, but the ability to discern varying isotopes in these streams has not yet been investigated for MSR applications. Tritium will form in MSRs from ternary fission and from (n,α)-reactions occurring in lithium-containing salts. This study compares three spectrometers of varying resolutions and types for measuring hydrogen isotope shifts in LIBS spectra of wetted filter paper. For each spectrometer, multivariate models were built (i.e., principal component regression, partial least squares regression, and multivariate curve resolution) to quantify the isotope ratio. The top models were then modified and corrected to apply the models to aerosol samples with varying isotope ratios. This novel calibration strategy offers an 82% reduction in volume of the calibration samples needed and is a more viable pathway for calibrating deployable LIBS systems. Lastly, this calibration model was compared with an all-aerosol trained model for monitoring hydrogen isotopes during a real-time test where the protium/deuterium ratio, along with representative salt species (i.e., lithium, sodium, and potassium) were adjusted dynamically. Results of this test validated the predictive capabilities of the transferred model and highlighted the capabilities of LIBS for real-time monitoring of MSR effluent streams.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Non-equilibrium molecular dynamics studies of thermal diffusion of hydrogen isotopes in low concentration zirconium hydrides

Tritium permeability in zirconium-based tritium getter critically impacts tritium storage and environmental safety during operation of tritium-producing burnable absorber rods (TPBARs). Previous experiments indicated that during irradiation operation, the hydrogen equilibrium pressured is increased. Further experimental and modeling studies suggested that the enhanced tritium release observed for reactor scale assemblies might be related to a thermal diffusion known as the Soret effect. A direct measurement of the Soret factor, however, has not been performed. To improve TPBAR and other nuclear applications, here we have applied two non-equilibrium molecular dynamics methods to study thermal diffusion of hydrogen isotopes in low-concentration zirconium hydrides. One of the methods produces sufficiently converged results to distinguish crystal orientation, isotope type, and concentration effects. In conclusion, with this method, crystal orientation, isotope type, and concentration effects are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Sieving Hydrogen Isotopes via Machine Learning Assisted Chemical Vapor Deposition (CVD) of High‐Quality Monolayer Hexagonal Boron Nitride (h‐BN) on Iron Foils

Atomically thin two-dimensional (2D) ceramics, such as monolayer hexagonal boron nitride (h-BN), present potential for disruptive advances in separations. However, sub-atomic scale separation of hydrogen isotopes (H + /D + ) require near pristine 2D material membranes, and scalable synthesis of such high-quality h-BN comparable to mechanically exfoliated crystals remains a significant challenge. Here, we report a scalable Fe-catalyzed chemical vapor deposition (CVD) process for bottom-up synthesis of large-area, high-quality monolayer h-BN films, overcoming key limitations of conventional ammonia-based routes. By leveraging mechanistic insights and higher CVD temperatures, we suppress multilayer formation and achieve uniform monolayer h-BN coverage on commercially available Fe foils. Machine learning enables systematic exploration of the complex, multi-dimensional CVD parameter space (growth time, temperature, precursor temperature, multilayer faction, coverage), providing data-driven approaches to visualize and identify process regimes facilitating predominantly monolayer h-BN growth with minimal secondary nuclei/ad-layers. The optimized Fe-catalyzed CVD h-BN membranes show high-quality as observed by proton/deuteron (H + /D + ) selectivity ≈8.45, approaching the highest quality benchmark of mechanically exfoliated h-BN (H + /D + selectivity ≈10) as well as significantly outperforming Cu-catalyzed CVD h-BN membranes (H + /D + selectivity ≈3.62, control selectivity ≈1.7). Our work provides a scalable cost-effective route for high-quality monolayer h-BN synthesis for sub-atomic scale separations (H + /D + ) and demonstrates the broader potential of machine learning-guided optimization of CVD for advancing synthesis of 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Electrochemical hydrogen isotope exchange of amines controlled by alternating current frequency

Here, we report an electrochemical protocol for hydrogen isotope exchange (HIE) at α-C(sp 3 )–H amine sites. Tetrahydroisoquinoline and pyrrolidine are selected as two model substrates because of their different proton transfer (PT) and hydrogen atom transfer (HAT) kinetics at the α-C(sp 3 )–H amine sites, which are utilized to control the HIE reaction outcome at different applied alternating current (AC) frequencies. We found the highest deuterium incorporation for tetrahydroisoquinolines at 0 Hz (i.e., under direct current (DC) electrolysis conditions) and pyrrolidines at 0.5 Hz. Analysis of the product distribution and D isotope incorporation at different frequencies reveals that the HIE of tetrahydroisoquinolines is limited by its slow HAT, whereas the HIE of pyrrolidines is limited by the overoxidation of its α-amino radical intermediates. Here, the AC-frequency-dependent HIE of amines can be potentially used to achieve selective labeling of α-amine sites in one drug molecule, which will significantly impact the pharmaceutical industry.

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

Lacustrine leaf wax hydrogen isotopes indicate strong regional climate feedbacks in Beringia since the last ice age

The Late-Quaternary climate of Beringia remains unresolved despite the region's role in modulating glacial-interglacial climate and as the likely conduit for human dispersal into the Americas. In this work, we investigate Beringian temperature change using an ~32,000-year lacustrine record of leaf wax hydrogen isotope ratios (δ2Hwax) from Arctic Alaska. Based on Monte Carlo iterations accounting for multiple sources of uncertainty, the reconstructed summertime temperatures were ~3 °C colder (range: –8 to +3 °C) during the Last Glacial Maximum (LGM; 21-25 ka) than the pre-industrial era (PI; 2–0.1 ka). This ice-age summer cooling is substantially smaller than in other parts of the Arctic, reflecting altered atmospheric circulation and increased continentality which weakened glacial cooling in the region. Deglacial warming was punctuated by abrupt events that are largely synchronous with events seen in Greenland ice cores that originate in the North Atlantic but which are also controlled locally, such as by the opening of the Bering Strait between 13.4 and 11 ka. Our reconstruction, together with climate modeling experiments, indicates that Beringia responds more strongly to North Atlantic freshwater forcing under modern-day, open-Bering Strait conditions than under glacial conditions. Furthermore, a 2 °C increase (Monte Carlo range: –1 to +5 °C) over the anthropogenic era reverses a 6 °C decline (Monte Carlo range: –10 to 0 °C) through the Holocene, indicating that recent warming in Arctic Alaska has not surpassed peak Holocene summer warmth.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Effect of hydrogen isotope on plasma impedance and thermal pinching induced by single aerosol droplets injected into an inductively coupled plasma

The mass of the hydrogen isotope in micrometer-sized aqueous droplets introduced into an ICP has been found to affect the degree of resulting plasma perturbation. Studied plasma perturbations include local plasma cooling, plasma shrinkage due to thermal pinching, and changes in plasma impedance. The local cooling effect caused by a vaporizing aerosol droplet was found to be similar between H 2 O and D 2 O. This finding is likely a result of the similar heat capacities and vaporization rates of H 2 O and D 2 O droplets and of the comparable thermal conductivities and dissociation kinetics of H 2 O and D 2 O vapor. In contrast, a clear isotope effect was observed for plasma shrinkage and impedance change, with H 2 O causing a considerably stronger effect. Plasma shrinkage, gauged by the reduction in Ar emission at the edge of the plasma, was detected at all observation heights within the load-coil region, with D 2 O droplets causing as much as 30% less of an effect than H 2 O. Likewise, D 2 O droplets induce significantly less change in plasma impedance than H 2 O droplets. Depending on experimental conditions and the probing method, changes in plasma impedance caused by monodisperse D 2 O droplets were only 52%–80% that of H 2 O. The lower influence on plasma shrinkage and impedance change for D 2 O droplets is believed to be related to the much lower thermal conductivity of atomic deuterium, around 70% that of atomic hydrogen (protium). The time required for the plasma impedance to return to its original steady-state value was comparatively long (~10 ms) and similar for H 2 O and D 2 O droplets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Reduced-order CFD modeling of cryogenic hydrogen isotope extrusion for pellet fueling

This study presents a reduced-order model (ROM) for computational fluid dynamics (CFD) simulations of cryogenic hydrogen isotope extrusions, focusing on protium (H₂) and deuterium (D₂) piston extruders. Using a 2D axisymmetric ROM in ANSYS-Polyflow, significant computational savings were achieved (runtime reduced from 9∼24 h to 3∼5 min), with extrusion force discrepancies between the 2D ROM and 3D models being on the order of 1%. Parametric studies identified optimal cutoff shear rates in the viscosity model (0.01/s for H₂ and 0.001/s for D₂), providing recommendations for future simulations. Finally, a comprehensive comparison of ROM results with experimental data was performed across varying geometries, cryogenic materials, temperatures, extrusion lengths, and piston velocities. Predictions at low extrusion temperatures met the objective of providing quick and efficient solutions with an acceptable extrusion force error of approximately 10% or less, validating the effectiveness of the 2D ROM approach. However, at high temperatures closer to the triple point, extrusion force error grows, which necessitates developing an improved model that accounts for temperature effects, e.g. melting. Nevertheless, the findings still represent a significant improvement in efficiency of CFD modeling of cryogenic hydrogenic extrusion. The ROM framework can also be extended to tritium (T2) and screw extruders, which will ultimately provide a fast and effective tool for optimizing pellet injector design for ITER and future reactor systems.

Fan, Joy [ORNL] (ORCID:0000000229751735)↗