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DOE OSTI2025

Development, Verification, and Validation of an OpenFOAM-Based Solver for Modeling Inertial Fusion Energy Chambers

Our work seeks to introduce a computational tool tailored to the physics of inertial fusion energy chambers, in particular, those concepts based on thick liquid walls. In this approach, the structural materials are protected by several neutron mean-free-paths of renewable liquid and thus will be able to survive much longer than un-shielded walls, with virtually all structures lasting for the life of the plant and enabling the use of commercially available and qualified materials. The OpenFOAM-based solver named rhoCentralFoam has been used as a starting point. rhoCentralFoam belongs to the standard OpenFOAM solver toolset. It is a high-speed, explicit compressible flow solver with shock-capturing capability. While the main features have been retained, the solver had to be restructured to make use of tabular data for equations of states, a necessary addition to model the complex thermo-physical properties of ionized gasses. This entailed the need to change the independent state variables used by the solver, resulting in a new thermodynamic library and slightly different solution algorithm. Moreover, a radiation heat transfer model based on the P-1 approximation was added to the solver. The solver is verified against an analytical solution from the Sedov-Taylor-Neumann test problem to showcase the ability of the hydrodynamic solvers to handle strong shocks, whereas the P-1 model was verified using a simple one-dimensional problem with an analytical solution. Additionally, a validation case involving shock-wave propagation through jet array is presented, and the results are compared with experimental data from the open literature. Lastly, in order to showcase the utility of the solver for practical cases, we applied the refined solver to two representative scenarios: gas venting within the HYLIFE-II chamber and the compression of the gas following the partial ablation of the liquid wall.

Chamber dynamics↗

DOE OSTI2021

A Study of Ferrocene Diffusion in Toluene/Tween 20/1-Butanol/Water Microemulsions for Redox Flow Battery Applications

Redox flow batteries (RFBs) possess multiple advantages as a flexible energy storage solution. However, RFB researchers are still facing many challenges in finding an appropriate electrolyte. Microemulsions have recently been proposed as a promising alternative RFB electrolyte because of their ability to accommodate organic redox species with fast electron transfer rates that are not soluble in aqueous phase, while still offering the high conductivity of an aqueous salt electrolyte. In this work, we focused on understanding the transport of ferrocene (Fc) in a toluene/Tween 20/1-butanol/water model microemulsion and studied the compositional influence on Fc diffusion. The results show that Fc redistributes among the oil, surfactant, and water microenvironments, and the corresponding diffusion and partition coefficients are quantified. Thus, a tortuous path diffusion model is proposed to describe the mass transport of Fc to an electrode surface. Diffusion coefficients are also obtained by pulsed-field gradient nuclear magnetic resonance (PFG NMR), while the values for Fc diffusion are substantially higher than those from electrochemical measurements, suggesting that they measure samples in different ways. The current contributions from each microenvironment indicate that the Fc permeability is much higher in the oil, even though the electron transfer reaction is likely occurring in the surfactant.

25 ENERGY STORAGE↗

DOE OSTI2021

SERENA: Particle Instrument Suite for Determining the Sun-Mercury Interaction from BepiColombo

The ESA-JAXA BepiColombo mission to Mercury will provide simultaneous measurements from two spacecraft, offering an unprecedented opportunity to investigate magnetospheric and exospheric particle dynamics at Mercury as well as their interactions with solar wind, solar radiation, and interplanetary dust. The particle instrument suite SERENA (Search for Exospheric Refilling and Emitted Natural Abundances) is flying in space on-board the BepiColombo Mercury Planetary Orbiter (MPO) and is the only instrument for ion and neutral particle detection aboard the MPO. It comprises four independent sensors: ELENA for neutral particle flow detection, Strofio for neutral gas detection, PICAM for planetary ions observations, and MIPA, mostly for solar wind ion measurements. SERENA is managed by a System Control Unit located inside the ELENA box. In the present paper the scientific goals of this suite are described, and then the four units are detailed, as well as their major features and calibration results. Finally, the SERENA operational activities are shown during the orbital path around Mercury, with also some reference to the activities planned during the long cruise phase.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Fiber Sorbents – A Versatile Platform for Sorption-Based Gas Separations

Increasing demand for high-purity fine chemicals and a drive for process intensification of large-scale separations have driven significant work on the development of highly engineered porous materials with promise for sorption-based separations. While sorptive separations in porous materials offer energy-efficient alternatives to longstanding thermal-based methods, the particulate nature of many of these sorbents has sometimes limited their large-scale deployment in high-throughput applications such as gas separations, for which the necessary high feed flow rates and gas velocities accrue prohibitive operational costs. These processability limitations have been historically addressed through powder shaping methods aimed at the fabrication of structured sorbent contactors based on pellets, beads or monoliths, commonly obtained as extrudates. These structures overcome limitations such as elevated pressure drops commonly recorded across powder adsorption beds but often accrue thermal limitations arising from elevated particle density and aggregation, which ultimately cap their maximum separation performance. Furthermore, the harsh mechanical strain to which powder particles are subjected during contactor fabrication, in the form of extrusion/compression forces, can result in partial pore occlusion and framework degradation, further limiting their performance. Here, we present the development of porous fiber sorbents as an alternative sorbent contactor design capable of addressing sorbent processability limitations while enabling an array of performance-maximizing heat integration capabilities. This new sorbent form factor leverages pre-existing know-how from hollow fiber spinning to produce fiber-shaped sorbent contactors through the phase inversion of known polymers in a process known as dry-jet/wet quenching. The process of phase inversion allows microporous sorbent particles to be latched onto a macroporous polymer matrix under mild processing conditions, thus making it compatible with soft porous materials prone to amorphization under traditional pelletization conditions. Sorbent fibers can be created with different geometries through control of the spinning apparatus and process, offering the possibility to produce monolithic and hollow fibers alike, the latter of which can be integrated with thermalization fluid flows. In this Account, we summarize our progress in the field of fiber sorbents from both design and application standpoints. We further guide the reader through the evolution of this field from the early inceptive work on zeolite hollow fibers to recent developments on MOF fibers. We highlight the versatile nature of fiber sorbents, both from the composition, fabrication and structure points of view, and further demonstrate how fiber sorbents offer alternative paths in tackling new and challenging chemical separation challenges like direct air capture (DAC), with a final perspective on the future of the field.

36 MATERIALS SCIENCE↗

DOE OSTI2025

New capabilities for rapid depletion analysis of pebble-bed reactors in SCALE

The SCALE Leap-In for Cores at Equilibrium (SLICE) method leverages capabilities available in the SCALE modeling and simulation suite to facilitate rapid estimation of equilibrium core inventories for flowing-pebble reactor systems in support of a variety of fuel cycle applications. New capabilities that compliment the SLICE method have been developed for the ORIGAMI interface to ORIGEN in SCALE to facilitate rapid depletion calculations for flowing-pebble systems. New features include a more generalized and flexible means of specifying interpolation dimensions, the ability to evaluate pebbles moving through user-defined “axial zones” in each of the pebble’s multiple passes through the core, and the treatment of differential velocities across radial channels (representing both pebble-to-pebble and wall-to-pebble friction effects). ORIGAMI thus provides an efficient user interface to define a pebble’s path and irradiation histories of its multiple passes through the core to calculate the pebble’s time-dependent inventories, which can be useful in various applications domains such as safeguards, criticality safety, and disposal analyses. The consistency of new ORIGAMI approach was verified against the solution obtained using the SLICE method with ORIGEN-ARP, showing excellent agreement.

Skutnik, Steven E. [Oak Ridge National Laboratory ↗

DOE OSTI2022

Robotic Planning under Uncertainty in Spatiotemporal Environments in Expeditionary Science

In the expeditionary sciences, spatiotemporally varying environments -- hydrothermal plumes, algal blooms, lava flows, or animal migrations -- are ubiquitous. Mobile robots are uniquely well-suited to study these dynamic, mesoscale natural environments. We formalize expeditionary science as a sequential decision-making problem, modeled using the language of partially-observable Markov decision processes (POMDPs). Solving the expeditionary science POMDP under real-world constraints requires efficient probabilistic modeling and decision-making in problems with complex dynamics and observational models. Previous work in informative path planning, adaptive sampling, and experimental design have shown compelling results, largely in static environments, using data-driven models and information-based rewards. However, these methodologies do not trivially extend to expeditionary science in spatiotemporal environments: they generally do not make use of scientific knowledge such as equations of state dynamics, they focus on information gathering as opposed to scientific task execution, and they make use of decision-making approaches that scale poorly to large, continuous problems with long planning horizons and real-time operational constraints. In this work, we discuss these and other challenges related to probabilistic modeling and decision-making in expeditionary science, and present some of our preliminary work that addresses these gaps. We ground our results in a real expeditionary science deployment of an autonomous underwater vehicle (AUV) in the deep ocean for hydrothermal vent discovery and characterization. Our concluding thoughts highlight remaining work to be done, and the challenges that merit consideration by the reinforcement learning and decision-making community.

Preston, Victoria↗

DOE OSTI2025

Optimal observables for the chiral magnetic effect from machine learning

The detection of the chiral magnetic effect (CME) in relativistic heavy-ion collisions remains challenging due to substantial background contributions that obscure the expected signal. In this Letter, we present a novel machine learning approach for constructing optimized observables that significantly enhance CME detection capabilities. By parametrizing generic observables constructed from flow harmonics and optimizing them to maximize the signal-to-background ratio, we systematically develop CME-sensitive measures that outperform conventional methods. Using simulated data from the anomalous viscous fluid dynamics framework, our machine learning observables demonstrate up to 90% higher sensitivity to CME signals compared to traditional 𝛾 and 𝛿 correlators, while maintaining minimal background contamination. The constructed observables provide physical insight into optimal CME detection strategies and offer a promising path forward for experimental searches of the CME at the BNL Relativistic Heavy Ion Collider and the CERN Large Hadron Collider.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

High Temperature Additive Architectures for 65% Efficiency (Final Report)

GE Power (GEP) proposed a development program that targets advanced high temperature additive components that contribute towards the DOE’s goal for advanced gas turbines that are capable of 65%, or greater, efficiency in combined cycle application. GEP proposed to leverage state-of-the-art additive manufacturing to develop novel and innovative component airfoil and end wall architectures that provide cooling flow savings while maintaining the component durability expected in today’s gas turbines. The objective of this program was to develop advanced component designs and architectures enabled by additive manufacturing, and the materials systems and additive manufacturing technology required for these designs. This Phase I program leveraged existing design and analysis knowledge and techniques for additive materials and methods and utilized extensive analytical evaluations to develop and refine designs for advanced turbine hot gas path (HGP) components. The design will be the basis for development and testing in a potential Phase II program. The goal of this Phase I program was to establish a feasible conceptual design for advanced additive turbine hot section components along with a technology maturation plan involving testing to address risk areas and needed validation. It was approached through two primary elements: 1) conceptual design and analysis of wall architectures, advanced airfoil cooling concepts, and advanced system-level concepts, and 2) investigation of additive modalities and associated materials systems. The Phase I program has concluded with the down-select of a primary design concept for a potential Phase II program.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Using temperature and flow fields to detect gas leakage from canisters containing spent nuclear fuel: Applications to RAMM-TM

The multi-physics STAR-CCM+ code has been used to simulate the temperature and flow fields in canister gas leakage experiments conducted by using a 1/4.5-scale model storage cask. The simulations were conducted at Argonne National Laboratory’s Laboratory Computing Resource Center, utilizing high-performance computing resources. Development of STAR-CCM+ simulation models for the 1/4.5-scale model cask is described herein, followed by validation of the simulation results against experimental data. Canister depressurization and thermal response during gas leakage are discussed, along with analyses of the leakage path and allowable leakage rate. The insights gained from the STAR-CCM+ simulations and leakage analyses will help guide future experiments and actual industry applications of Argonne’s Remote Area Modular Monitoring system for canister surface temperature measurement (RAMM-TM) to enable effective aging management of spent fuel during extended dry storage, as well as help reduce risks to public safety and health and protect the environment.

Canister gas leakage↗

DOE OSTI2020

Engineering quantum-coherent defects: The role of substrate miscut in chemical vapor deposition diamond growth

The engineering of defects in diamond, particularly nitrogen-vacancy (NV) centers, is important for many applications in quantum science. A materials science approach based on chemical vapor deposition (CVD) growth of diamond and in situ nitrogen doping is a promising path toward tuning and optimizing the desired properties of the embedded defects. Herein, with the coherence of the embedded defects in mind, we explore the effects of substrate miscut on the diamond growth rate, nitrogen density, and hillock defect density, and we report an optimal angle range for the purposes of engineering coherent ensembles of NV centers in diamond according to our growth parameters. We provide a model that quantitatively describes hillock nucleation in the step-flow regime of CVD growth, shedding insight on the physics of hillock formation. We also report significantly enhanced incorporation of nitrogen at hillock defects, opening the possibility for templating hillock-defect-localized NV center ensembles for quantum applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

The inductively driven transmission line: A passively coupled device for diagnostic applications on the Z pulsed power facility

The inductively driven transmission line (IDTL) is a miniature current-carrying device that passively couples to fringe magnetic fields in the final power feed on the Z Pulsed Power Facility. The IDTL redirects a small amount of Z’s magnetic energy along a secondary path to ground, thereby enabling pulsed power diagnostics to be driven in parallel with the primary load for the first time. IDTL experiments and modeling presented here indicate that IDTLs operate non-perturbatively on Z and that they can draw in excess of 150 kA of secondary current, which is enough to drive an X-pinch backlighter. Further experiments show that IDTLs are also capable of making cleaner, higher-fidelity measurements of the current flowing in the final feed.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Degeneracy engineering for classical and quantum annealing: A case study of sparse linear regression in collider physics

Classical and quantum annealing are computing paradigms that have been proposed to solve a wide range of optimization problems. In this paper, we aim to enhance the performance of annealing algorithms by introducing the technique of degeneracy engineering, through which the relative degeneracy of the ground state is increased by modifying a subset of terms in the objective Hamiltonian. We illustrate this novel approach by applying it to the example of ℓ 0 -norm regularization for sparse linear regression, which is, in general, an NP-hard optimization problem. Specifically, we show how to cast ℓ 0 -norm regularization as a quadratic unconstrained binary optimization (QUBO) problem, suitable for implementation on annealing platforms. As a case study, we apply this QUBO formulation to energy flow polynomials in high-energy collider physics, finding that degeneracy engineering substantially improves the annealing performance. Furthermore, our results motivate the application of degeneracy engineering to a variety of regularized optimization problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

High Temperature Additive Architectures for 65% Efficiency (Final Technical Report)

This project aimed to develop advanced high-temperature additive components that contribute towards the DOE’s goal for advanced gas turbines that are capable of at least 65% efficiency in combined cycle application. The objective was to leverage state-of-the-art additive manufacturing to develop an innovative stage 1 turbine nozzle (S1N) that can provide cooling flow savings while maintaining the component durability expected in today’s gas turbines. The program had two phases. Phase I was a conceptual phase for novel advanced cooling designs enabled by additive manufacturing, as well as proposals for validation. Phase II included execution of the Phase I conceptual design, including manufacturing of prototype hardware and validation within an environment that is similar to engine operation. During Phase I of the program, the team devised a concept to reduce cooling air usage. The cooling air used in the side walls is filmed out along the side walls, while the cooling air used in the airfoil is eventually directed to near-wall channels and exits holes along the airfoil trailing end. During this program, the team performed additive trials to analyze the geometric limitations of additive manufacturing. This helped the team understand minimum wall thicknesses, hole sizes, and cooling channel dimensions among other limits. Phase II of this program pushed GE Vernova beyond its previous experience of designing and manufacturing an additively manufactured hot gas path component. Modern hot gas path components utilize material chemistries that are traditionally hard to weld, such as cast Renè 108, and exhibit solidification cracking when additively manufactured using Direct Metal Laser Melting (DMLM). Note that AM108 is a powder form of Renè 108. A S1N with advanced cooling is larger and more complex than parts previously built by additive manufacturing and required new learnings to resolve risks around solidification cracking. Finally, the team validated the design in a combustion rig that replicated operation in a gas turbine. In order to properly quantify the benefits of the new additive design, a baseline was also tested in the rig and operated under the same conditions. In addition, an uncertainty analysis was done to quantify any sources of error that could impact the results. At the end of the validation effort, it was determined that the additive nozzle exceeded the 15% reduction in cooling flow goal even with the worst-case assumptions for uncertainty.

03 NATURAL GAS↗

DOE OSTI2021

Flow Sensor Test Article (F-STAr) - Status Report for FY2021

This report will review updates on the status of F-STAr. First, the report will describe a general overview of the test article and how each component interacts. Then, each main component will be discussed in a deep dive section which will review the design and other relevant details. F-STAr components which are discussed in more detail include the 120 GPM-pump, the support structure and test sections, 5 kW-heater, the 2 kW-cooler and cooling system, and the submersible flowmeter. Finally, this report will conclude with a brief recap and a bulleted outline of the path moving forward.

42 ENGINEERING↗

DOE OSTI2022

Measurement of Helium and Xenon Knudsen permeability in graphite IG-11

Here, understanding the flow and diffusion (transport) of gases through nuclear graphite is of interest in both the prismatic and pebble bed high-temperature gas reactors (HTGRs), for normal operation and under accident conditions, for example, as related to graphite oxidation. Both the laminar and turbulent gaseous transport are of interest. It has also been noted that nuclear graphite can have pore sizes that can possibly lead to non-continuum transport, as the pore size can be comparable to the gaseous mean free path. We report measurements and analyzes of experiments performed with IG-11 graphite in the pressure range of 10 Pa to 14,700 Pa, 293 K, using Helium, and research grade xenon (99.999%), respectively. These values are in fair agreement with those reported for different graphites and gases by other investigators, but are also higher by six orders of magnitude than those reported for Kr permeability in a developmental very low permeability graphite-HXT-90. Our measured ratio of the Helium and Xenon permeabilities is about 4, different from $\sqrt{\frac{m_{Xe}}{m_{He}}}$ ≈ 5.72 that corresponds to diffuse reflection at the graphite surface for both gases. Simple analysis indicates that the two gases have slightly different accommodation coefficients (about 25%) with the graphite surface. However, there could also be other reasons, such as experimental uncertainties or the need for a more detailed analysis.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Composite entanglement topology and extensional rheology of symmetric ring-linear polymer blends

Extensive molecular simulations are applied to characterize the equilibrium dynamics, entanglement topology, and nonlinear extensional rheology of symmetric ring-linear polymer blends with systematically varied ring fraction ϕR. Chains with degree of entanglement Z≈14 are mixed to produce 10 well-entangled systems with ϕR varying from neat linear to neat ring melts. Z is large enough that except for very large ϕR, the rings are threaded by multiple linear chains in equilibrium. Primitive path analysis is used to visualize and quantify the structure of the composite ring-linear entanglement network. We measure the quantity of ring-linear threading and linear-linear entanglement as a function of ϕR and identify with simple arguments a ring fraction ϕR≈0.4 where the topological constraints of the composite entanglement network are maximized. These topological analyses are used to rationalize the ϕR-dependence of ring and linear chain dynamics, conformations, and rheology. Simulations of startup uniaxial elongation flows demonstrate the extensional stress overshoot observed in recent filament stretching experiments and characterize how it depends on the blend composition and entanglement topology. The overshoot is driven by an overstretching and recoil of ring polymers due to the convective unthreading of rings from linear chains.

O’Connor, Thomas C.↗

DOE OSTI2024

Measuring Black Hole Light Echoes with Very Long Baseline Interferometry

Light passing near a black hole can follow multiple paths from an emission source to an observer due to strong gravitational lensing. Photons following different paths take different amounts of time to reach the observer, which produces an echo signature in the image. The characteristic echo delay is determined primarily by the mass of the black hole, but it is also influenced by the black hole spin and inclination to the observer. In the Kerr geometry, echo images are demagnified, rotated, and sheared copies of the direct image and lie within a restricted region of the image. Echo images have exponentially suppressed flux, and temporal correlations within the flow make it challenging to directly detect light echoes from the total light curve. In this Letter, we propose a novel method to search for light echoes by correlating the total light curve with the interferometric signal at high spatial frequencies, which is a proxy for indirect emission. We explore the viability of our method using numerical general relativistic magnetohydrodynamic simulations of a near-face-on accretion system scaled to M87-like parameters. We demonstrate that our method can be used to directly infer the echo delay period in simulated data. An echo detection would be clear evidence that we have captured photons that have circled the black hole, and a high-fidelity echo measurement would provide an independent measure of fundamental black hole parameters. Our results suggest that detecting echoes may be achievable through interferometric observations with a modest space-based very long baseline interferometry mission.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Measurements of dihadron correlations relative to the event plane in Au+Au collisions at $\sqrt{s_{NN}} =200$ GeV*

Dihadron azimuthal correlations containing a high transverse momentum ($ p_{T} $) trigger particle are sensitive to the properties of the nuclear medium created at RHIC through the strong interactions occurring between the traversing parton and the medium, i.e. jet-quenching. Previous measurements revealed a strong modification to dihadron azimuthal correlations in Au+Au collisions with respect to p+p and d+Au collisions. The modification increases with the collision centrality, suggesting a path-length or energy density dependence to the jet-quenching effect. This paper reports STAR measurements of dihadron azimuthal correlations in mid-central (20%-60%) Au+Au collisions at $ \sqrt{s_{\rm{NN}}} = 200 $ GeV as a function of the trigger particle's azimuthal angle relative to the event plane, $ \phi_{s} = | \phi_{t}- \psi_{{\rm{EP}}}| $. The azimuthal correlation is studied as a function of both the trigger and associated particle $ p_{T} $. The subtractions of the combinatorial background and anisotropic flow, assuming Zero Yield At Minimum (ZYAM), are described. The correlation results are first discussed with subtraction of the even harmonic (elliptic and quadrangular) flow backgrounds. The away-side correlation is strongly modified, and the modification varies with $ \phi_{s} $, with a double-peak structure for out-of-plane trigger particles. The near-side ridge (long range pseudo-rapidity $ \Delta\eta $ correlation) appears to drop with increasing $ \phi_{s} $ while the jet-like component remains approximately constant. The correlation functions are further studied with the subtraction of odd harmonic triangular flow background arising from fluctuations. It is found that the triangular flow, while responsible for the majority of the amplitudes, is not sufficient to explain the $ \phi_{s} $-dependence of the ridge or the away-side double-peak structure. The dropping ridge with $ \phi_{s} $ could be attributed to a $ \phi_{s} $-dependent elliptic anisotropy; however, the physics mechanism of the ridge remains an open question. Even with a $ \phi_{s} $-dependent elliptic flow, the away-side correlation structure is robust. These results, with extensive systematic studies of the dihadron correlations as a function of $ \phi_{s} $, trigger and associated particle $ p_{T} $, and the pseudo-rapidity range $ \Delta\eta $, should provide stringent inputs to help understand the underlying physics mechanisms of jet-medium interactions in high energy nuclear collisions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗