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DOE OSTI2021

Possible impacts of molten salt reactors on the International Monitoring System

Molten salt reactors (MSRs) are gaining support as many countries look for ways to increase power generation and replace aging nuclear energy production facilities. MSRs have inherently safe designs, are scalable in size, can burn transuranic wastes from traditional solid fuel nuclear reactors, can store excess heat in thermal reservoirs for water desalination, and can be used to produce medical isotopes as part of the real-time liquid-fuel recycling process. The ability to remove 135 Xe in real time from the fuel improves the power production in an MSR because 135 Xe is the most significant neutron-absorbing isotope generated by nuclear fission. Xenon-135, and other radioactive gases, are removed by sparging the fuel with an inert gas while the liquid fuel is recirculated from the reactor inner core through the heat exchangers. Without effective abatement technologies, large amounts of radioactive gas could be released during the sparging process. This work examines the potential impact of radioxenon releases on samplers used by the International Monitoring System (IMS) to detect nuclear explosions. Here, atmospheric transport simulations from seven hypothetical MSRs on different continents were used to evaluate the holdup time needed before release of radioxenon so IMS samplers would register few detections. Abatement technologies that retain radioxenon isotopes for at least 120 d before their release will be needed to mitigate the impacts from a molten salt breeder reactor used to replace a nuclear power plant. A holdup time of about 150 d is needed to reduce emissions to the average level of current nuclear power plants.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2021

Method of separating components of a gas

The disclosure provides a method for separating components of a gas. A feed gas stream is cooled in a first vessel. The feed gas stream includes methane, water, carbon dioxide, and Natural Gas Liquids. The feed gas stream is cooled in a first vessel. A portion of the water condenses to form a primary liquid stream, resulting in a first depleted gas stream, which is cooled in a second vessel. A portion of the NGLs condense to form a secondary liquid stream, resulting in a second depleted gas stream, which is cooled in a condensing exchanger. A first portion of the methane condenses to form a liquid methane stream, resulting in a third depleted gas stream, which is cooled in a third vessel. A portion of the carbon dioxide condenses, desublimates, or condenses and desublimates as a final product stream, also resulting in a fourth depleted gas stream.

Baxter, Larry↗

DOE OSTI2022

Influence of Supporting Electrolyte on Hydroxide Exchange Membrane Water Electrolysis Performance: Catholyte

Alkaline or hydroxide exchange membrane water electrolysis (HEMWE) is a promising technology for green hydrogen production using platinum group metal-free catalysts and stainless steel, an advantage of alkaline water electrolysis (AWE), and a gas-impermeable membrane, a parallel to proton exchange membrane electrolysis (PEMWE). However, the HEMWE requires supporting electrolytes and there is minimal understanding of their role on the respective reactions. Without SELs, HEMWE performance and durability are worse than PEMWE systems. Herein, consistently feeding potassium hydroxide anolyte, we systematically study the effects of catholyte SELs in HEMWEs including dry vs. wet operation, cation effects, anion effects, and cation/OH ratios on cell potential and stability. We report that (i) hydration of the cathode improves high current density operation by preventing dehydration of the hydroxide exchange membrane (HEM), (ii) there was no correlation between cation type and cell potential, (iii) cell potential and high frequency resistance did not correlate with SEL conductivity, (iv) cathodic carbonate SEL had a significant negative effect on cell performance, (v) increased cation/OH ratio also caused increased cell potentials. Overall, this study concludes that feeding water or potassium hydroxide solution is desirable to improve the AEMWE performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

The role of alkali metal exchange in zeolite-templated carbon synthesis

Despite great efforts to achieve ideal atomistic packing of carbon in the pore networks of even the largest pore zeolites, templating inaccuracies are ubiquitous in all presently synthesized zeolite-templated carbon (ZTC) materials. Idealized models suggest that the long-sought schwarzite-like structures could in principle be obtained by zeolite templating if the appropriate zeolite template were chosen (e.g., faujasite for D surface schwarzites) and if perfect template fidelity (insertion of a pristine layer of pure carbon directly on the surface of the zeolite) could be achieved. A requirement to achieve such structures is increased carbon density within the zeolite. We report the investigation of a series of alkali metal cation-exchanged zeolites to determine how the periodic trends in the group 1 elements influence zeolite templating, with a specific focus on the metric of structural packing density (SPD) as resolved by ex situ thermogravimetry. In a survey based on controlled synthesis temperature, time, and flow conditions, an increasing SPD was observed with decreasing cation size, an effect that is consistent with the increasing strength of cation-π interactions. Furthermore, this effect could be promising for future work to increase the SPD of ZTCs for the synthesis of closed-tube, schwarzite-like carbonaceous solids.

03 NATURAL GAS↗

DOE OSTI2026

Interactions between molecular-scale biogeochemical processes and hyporheic exchange for understanding coupled Fe-S-C cycling in iron-rich riparian wetlands (Final Technical Report)

Riparian wetlands are dynamic interfaces that exert strong control over water quality, contaminant mobility, and greenhouse gas emissions. These systems are characterized by hyporheic exchange between oxic surface water and anoxic groundwater, which generates steep redox gradients and promotes spatially and temporally variable microbial activity. Despite growing recognition of tightly coupled iron (Fe), sulfur (S), and carbon (C) cycling in these environments, the mechanisms governing these interactions—particularly under low-sulfate freshwater conditions—remain poorly constrained. This project developed a mechanistic understanding of how hydrologic variability and microbial processes interact to control Fe–S–C cycling in iron-rich riparian wetlands. Using a multi-scale and multi-method approach integrating field observations, geochemical and spectroscopic analyses, metagenomics, and reactive transport modeling, we demonstrate that “cryptic” sulfur cycling—rapid sulfur transformations involving intermediate-valence species—plays a dominant and previously underrecognized role in freshwater wetlands. These processes persist despite low sulfate concentrations and significantly influence iron reduction, carbon mineralization, and methane dynamics. The results show that cryptic sulfur cycling enhances dissolved Fe 2+ production, regulates methane concentrations, and is strongly controlled by climate-driven hydrologic fluxes. By linking hydroclimate, subsurface flow, and biogeochemical reactions, this work provides a predictive framework for understanding how wetland systems respond to environmental change, with direct implications for water quality and carbon cycling.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

A modular apparatus for use in high-precision measurements of parity violation in polarized eV neutron transmission

We describe a modular apparatus for use in parity-violation measurements in epithermal neutron–nucleus resonances with high instantaneous neutron fluxes at the Manuel Lujan Jr. Neutron Scattering Center at Los Alamos National Laboratory. This apparatus is designed to conduct high-precision measurements of the parity-odd transmission asymmetry of longitudinally polarized neutrons through targets containing nuclei with p-wave neutron–nucleus resonances in the 0.1–10 eV energy regime and to accommodate a future search for time reversal violation in polarized neutron transmission through polarized nuclear targets. The apparatus consists of an adjustable neutron and gamma collimation system, a 3 He- 4 He ion chamber neutron flux monitor, two identical cryostats for target cooling, an adiabatic eV-neutron spin flipper, a near-unit efficiency 6 Li- 7 Li scintillation detector operated in current mode, a flexible CAEN data acquisition system, and a neutron spin filter based on spin-exchange optical pumping of 3 He gas. We describe the features of the apparatus design devoted to the suppression of systematic errors in parity-odd asymmetry measurements. We describe the configuration of the apparatus used to conduct a precision measurement of parity violation at the 0.7 eV p-wave resonance in 139 La which employs two identical 139 La targets, one to polarize the beam on the p-wave resonance using the weak interaction and one to analyze the polarization.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Regularized machine learning on molecular graph model explains systematic error in DFT enthalpies

Abstract A major goal of materials research is the discovery of novel and efficient heterogeneous catalysts for various chemical processes. In such studies, the candidate catalyst material is modeled using tens to thousands of chemical species and elementary reactions. Density Functional Theory (DFT) is widely used to calculate the thermochemistry of these species which might be surface species or gas-phase molecules. The use of an approximate exchange correlation functional in the DFT framework introduces an important source of error in such models. This is especially true in the calculation of gas phase molecules whose thermochemistry is calculated using the same planewave basis set as the rest of the surface mechanism. Unfortunately, the nature and magnitude of these errors is unknown for most practical molecules. Here, we investigate the error in the enthalpy of formation for 1676 gaseous species using two different DFT levels of theory and the ‘ground truth values’ obtained from the NIST database. We featurize molecules using graph theory. We use a regularized algorithm to discover a sparse model of the error and identify important molecular fragments that drive this error. The model is robust to rigorous statistical tests and is used to correct DFT thermochemistry, achieving more than an order of magnitude improvement.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Universal Maximum Strength of Solid Metals and Alloys

As described here, interstitial electron density ρ o is offered as a direct metric for maximum strength in metals, arising from universal properties derived from an electron-gas – ρ o sets the exchange-correlation parameter r s in density-functional theory (DFT). It holds also for maximum shear strength τ max in polycrystals [Phys. Rev. Lett. 124, 125501]. Elastic moduli and τ max for polycrystalline (amorphous) metals are linear with ρ o and melting T m (glass-transition T g ) temperature. ρ o or r s , even with rule-of-mixture estimate, predicts relative strength for rapid, reliable selection of high-strength alloys with ductility, as confirmed for elements to steels to complex solid-solutions, and validated experimentally.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Spin Squeezing with Itinerant Magnetic Dipoles

Entanglement can improve the measurement precision of quantum sensors beyond the shot noise limit. Neutral atoms, the basis of some of the most precise and accurate optical clocks and interferometers, do not naturally exhibit the all-to-all interactions traditionally used to generate such entangled states. On the other hand, these systems exhibit exceedingly high degrees of experimental control over parameters such as temperature, spatial entropy, and itinerancy. In this work, we investigate spin squeezing in a highly coherent itinerant system of neutral atoms with magnetic dipole-dipole interactions. We achieve 7.1 dB of metrologically useful squeezing using finite-range spin-exchange interactions in an erbium quantum gas microscope, and we demonstrate that introducing atomic motion, realizing a dipolar 𝑡−𝐽 model, protects the spin sector coherence at low fillings, significantly improving the achievable spin squeezing in a 2D dipolar system. This work’s protocol can be implemented with most neutral atoms, opening the door to quantum-enhanced metrology in other itinerant dipolar systems, such as molecules or optical lattice clocks, and serves as a novel method for studying itinerant quantum magnetism with long-range interactions.

Atomic, optical & lattice clocks↗

DOE OSTI2023

LTE-P-10 RDE

A standardized procedure for rotating disk electrode (RDE) experiments for the ex-situ characterization of oxygen evolution reaction (OER) catalysts for PEM water electrolyzers. This protocol should allow for the analysis of onset potential, overpotential at a fixed current, catalytic activity, and electrochemical surface area of these catalysts.

08 HYDROGEN↗

DOE OSTI2024

Accuracy Enhancement of Nuclear Power Plant Simulators Utilizing High Accuracy Simulation Predictions

More recently, reactor core simulators for core designs associated with commercial nuclear power plants that utilize what is believed to be higher fidelity models have been developed. Features such as neutronics models that utilize transport equation solvers with fine spatial meshes and many energy-groups, thermal-hydraulic models that utilize sub-channel solvers with fine spatial mesh and capable of treating a wide range of fluid conditions, and fuel-coolant chemistry interaction models capable of treating CRUD deposition are to be found in these higher fidelity core simulators. These reactor core simulators require access to higher performance computers, characterized by many processors, cores and large memory. So associated with utilization of these simulators is access to high performance computers and ability to accommodate in one’s workflow longer execution times. By contrast, currently used core simulators by the nuclear industry can execute on engineering workstations and have execution times of seconds to minutes. The desirability for having short execution times is not only desired for support of time critical tasks but supports the mental process of decision making by engineers. The goal of the work reported upon here has the objective of retaining the fidelity of higher fidelity models while retaining the ability to utilize engineering workstations. Beyond the core simulator goal, additional goals of this work include incorporating the just described core simulator capability into a Nuclear Steam Supply System (NSSS) simulator, and to incorporate the resulting capability into an environment supportive of design and operational decision making associated with nuclear power stations. The model selected for the core neutronics model is the NESTLE code, for the core thermal-hydraulic model is the CTF code utilizing coarse mesh, and for the NSSS model is the RELAP5-3D code. WSC’s proprietary 3KEYMASTERTM platform is being used to provide software coupling, user interface, visualization, and reporting. The NESTLE core neutronics simulator was first integrated with the CTF core thermal-hydraulic simulator using CTF developed communication commands which are also used for CTF to communicate with RELAP5-3D under WSC’s proprietary 3KEYMASTERTM platform. To assure NESTLE prediction consistency with higher fidelity core neutronic simulators, buffer codes have been created to automatically generate from output files written by the VERA core simulator the NESTLE nodal neutronic parameter’ library, geometry, and pin-power reconstruction input files, thereby avoiding a number of challenges associated with utilizing lattice physics codes and providing consistency with VERA predictions. To treat absorber rod effects a multi-set library is utilized, where a set refers to a specific absorber rod fully inserted pattern. A coarse spatial mesh CTF model was developed with features added that support using CTF as envisioned in the engineering quality simulator. A hybrid meshing approach was implemented to allow for automated construction of models with mixed levels of refinement. Specifically, a core model could resolve some assemblies at a nodal level (4 subchannels per assembly) and others at a pin-resolution (one subchannel per coolant subchannel in the assembly). The intention is that this will allow for better resolution of limiting conditions such as DNBR and PCT, which are based on local rod and subchannel conditions. Further development was done of features that enhance the capabilities for the envisioned engineering quality simulator that has been developed, but now for RELAP-3D. The RELAP5-3D code development includes ability to model more than 999 components and the addition of the cross-channels turbulence mixing model and the void drift model that are implemented in CTF, aiming to achieve closer prediction agreement of the two codes for transient simulations, specifically, more accurate matches of the overall mass, momentum, and energy exchanges of both the liquid and gas phases between the neighboring core assemblies. Graphics were also developed for the Instructor Station for this project under WSC’s proprietary 3KEYMASTERTM platform to facilitate design and operational decision making.

42 ENGINEERING↗

DOE OSTI2022

Precooling system utilizing cryogenic liquid fuels for fueling pressurized vehicle gaseous onboard storage tank system with controlled dispensing temperatures

A method and a precooling system are provided for precooling gaseous fuel supplied for fueling pressurized gaseous vehicle onboard storage tank systems. The precooling system is used in pressurized gaseous fueling stations with source fuels in cryogenic state, such as liquid hydrogen (LH2) and liquefied nature gas (LNG). A thermal buffer heat exchanger includes a heat exchanger medium, and a cold loop and a warm loop contained in the heat exchanger medium. A control unit is configured for controlling cryogenic fuel supplied to the cold loop for cooling the thermal buffer heat exchanger. The thermal buffer heat exchanger enables precooling high pressure gaseous fuel to a preset temperature supplied to a dispenser supplying high pressure gaseous fuel to refuel a vehicle onboard storage tank system.

Elgowainy, Amgad A.↗

DOE OSTI2023

Electrolyzers for the reduction of carbon dioxide to formate

The present disclosure relates to an electrochemical flow cell that includes a gap positioned between an ion exchange membrane (IEM) and a cathode gas diffusion electrode (GDE), where the gap is positioned to contain a liquid and the gap has a thickness value, as defined by the distance between the IEM and the cathode GDE, of between greater than zero mm and less than about 2.0 mm. In some embodiments of the present disclosure, the gap may be between about 0.1 mm and about 1.0 mm.

Klein, Jr., Walter Ellis↗

DOE OSTI2021

Vectorial Charge Transfer across Bipolar Membrane Loaded with CdS and Au Nanoparticles

Bipolar membranes (BPMs) which consist of a cation exchange layer (CEL) and anion exchange layer (AEL) are quite effective as membranes in gas phase electrolyzers. However, such membranes can also serve as a host to embed photocatalysts and electrocatalysts. By selectively exchanging cations with Cd 2+ and anions with AuCl 4 – , we were able to synthesize CdS and Au nanoparticles in CEL and AEL layers, respectively, through sequential chemical and photocatalytic reactions. Reacting Cd 2+ with thioacetamide formed the CdS nanoparticles in CEL. The photogenerated electrons from CdS were then used to reduce AuCl4– in an H-cell configuration to produce Au nanoparticles in AEL and thus prepare a photocatalytically active BPM film (referred to as a CdS/BPM/Au film). Such a concerted design of BPM allows “vectorial” electron transfer between two layers of BPM leading to its transfer to an acceptor molecule (methyl viologen) in solution. Designing photocatalytically active BPM and understanding the vectorial electron flow between two separate ion-selective layers offer new opportunities in water splitting and CO 2 reduction.

13 HYDRO ENERGY↗

DOE OSTI2026

Pilot Development Progress to Demonstrate Electric Thermal Energy Storage (ETES) Using Low-Cost Particles

The rapid growth of future energy demand increases the need to economically store electrical energy over durations up to several days in long-duration energy storage (LDES) applications. LDES can reduce the grid stress for improving the resilience of the grid. The integration of renewable power and storage has several significant and positive impacts including expanding the renewable energy portion of electricity generation, meeting peak-load demand, and coordinating supply and demand. Several energy storage approaches including mechanical, chemical and electrochemical methods are currently deployed or under development. However, LDES requirements pose unique challenges for scalability, energy capacity, and cost. Thermal energy storage (TES) has the ability to store a large capacity of energy with improved site flexibility compared to incumbent LDES technologies (i.e., pumped hydro) and has attracted significant interest. Our development in TES technology using solid particles as the storage medium has shown feasibility and potential in serving LDES purposes. Particle TES has various advantages over commercialized molten nitrate salt TES and has emerged as a promising storage technology originating from Generation 3 concentrating solar power (CSP) development. Stable, inexpensive silica sand produced in the Midwestern U.S. was identified as a suitable storage medium and has been validated through lab heating and cycling tests. We have successfully developed particle TES for bidirectional electric energy storage to broaden the applications for TES beyond CSP technologies and into standalone electric-thermal energy storage (ETES) systems. Key component designs and performance were verified with prototype testing and model simulations. The ETES system uses high-temperature, low-cost particle thermal energy storage coupled with a unique pressurized fluidized bed heat exchanger that supports a high-efficiency, air-Brayton combined power cycle. At times of low energy demand or high renewable production, an electric particle heater heats large quantities of solid particles to high temperatures in excess of 1100 degrees C. The particles are stored in internally insulated silos. At times of high electricity demand, the hot particles are gravity-fed through the heat exchanger where stored thermal energy is transferred to the power cycle working fluid to drive the gas turbine power generation system, thereby converting the thermal energy back into electricity for the grid. The cold particles leaving the heat exchanger are returned to the storage silos by a well-insulated particle conveyor. This ETES technology using particle TES can be sited anywhere and is predicted to be economic and efficient. Moreover, this ETES technology could be co-located with a retired coal or gas plant to leverage existing power generation and grid infrastructure. Our work has focused on the development of each of the key components (e.g., the electric particle heater, particle storage silos, and the particle-to-gas pressurized fluidized bed heat exchanger) through conceptual designs, prototype testing, and computational modeling. These developments demonstrate technological feasibility and are an important step towards the next phase of development of this promising LDES technology. This presentation will show the progress in developing a pilot demonstration of the ETES system on a commercially relevant scale.

25 ENERGY STORAGE↗

DOE OSTI2025

Analysis of anion exchange membrane water electrolyzer performance and its evolution over time

Understanding water, evolved gas, and ionic transport in membrane-electrode-assemblies (MEAs) is essential for the development of high performance and durable anion exchange membrane water electrolyzers (AEMWEs). This study evaluates the MEA conditioning process, operating conditions, and short-term stability in a 1 M potassium hydroxide (KOH) electrolyte, focusing on the underlying transport phenomena. We observe a significant initial voltage loss in continuous cell operation, which could be associated with gas bubble accumulation, transport layer or flow field passivation, and changes in the catalyst oxidation state. Further, we investigate the effects of materials and operational configurations, including the membrane type and thickness, and the electrolyte flow rate, including KOH being fed to both electrodes as well as to the anode only. Furthermore, the effect of membrane drying temperature on ex situ as well as in situ electrochemical performance is evaluated. Finally, we discuss 700 h of AEMWE operation at 1 A/cm 2 , highlighting the underlying degradation phenomena.

25 ENERGY STORAGE↗

DOE OSTI2020

Supercritical CO2 Recuperators, Presented at The ASME Turbo Expo 2017, June 29, 2017, by Dr. John Kelly, President, Altex Technologies Corporation

Closed Brayton super-critical CO2 power cycles are well suited to waste heat bottoming cycles, due to their increased efficiency and compactness, relative to Rankine steam bottoming cycles. Since waste heat applications would be retrofits, the power system compactness is important. To achieve high efficiency, these power cycles require high pressure recuperative type heat exchangers, of substantial heat duty. Current Printed Circuit Heat Exchangers (PCHE), originally developed for high pressure gas and oil applications, can be used as recuperators, but costs are higher than desired. Altex is developing a purpose-built high pressure and effectiveness recuperator to provide the reliability, compactness, performance and pressure capability of current recuperators, but at a reduced cost. The High Effectiveness Low Cost (HELC) recuperative heat exchanger design yields volume and weight metrics of .0024 m3/UA and 10.2 kg/UA, which are 4% and 77.3% below recuperator target metrics, respectively. A 50 kW test article was designed and fabricated. Performance tests on water and oil showed that the HELC design model could predict heat transfer, to within 10% of the measured value. This model was then used to project HELC performance, when operating on supercritical CO2. Besides performance tests, the test article was hydrostatically tested, for integrity at up to 4,000 psi pressure. At these conditions, some distortion of channels was encountered. To mitigate distortion, the inserts were redesigned and these results were used to project the cost of 500 kW and 5,083 kW HELC units. The cost metric for the 5,083 kW unit was determined to be $1,349/UA, which is 10% lower than the recuperator desired cost metric desired target of $1,500/UA. In addition, the 5,083 kW unit HELC cost of $61.09/kW is 33.6% lower than the $92/kW estimated cost for a PCHE. Hydrostatic pressure tests, at up to 4,000psi, showed that the unit did not leak. However, channels were distorted at this pressure differential. Design updates to minimize stress concentrations and distortion were prepared and analyzed, to show that distortion could be controlled, but to date tests have not been run to prove the design. Project results show the potential of the HELC approach, but more work is required to confirm this potential, at the larger scales of interest.

14 SOLAR ENERGY↗

DOE OSTI2020

High Effectiveness, Compact, High Pressure and Low-Cost Recuperator, Presented at The Fifth International Symposium – Super-Critical CO2 Power Cycles, San Antonio, Texas, March 28-31, 2016, by Dr. John Kelly, President, Altex Technologies Corporation

14 SOLAR ENERGY↗