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DOE OSTI2025

Addressing the dynamic nature of reference data: a new nucleotide database for robust metagenomic classification

Accurate metagenomic classification relies on comprehensive, up-to-date, and validated reference databases. While the NCBI BLAST Nucleotide (nt) database, encompassing a vast collection of sequences from all domains of life, represents an invaluable resource, its massive size—currently exceeding 10 12 nucleotides—and exponential growth pose significant challenges for researchers seeking to maintain current nt-based indices for metagenomic classification. Recognizing that no current nt-based indices exist for the widely used Centrifuge classifier, and the last public version currently available was released in 2018, we addressed this critical gap by leveraging advanced high-performance computing resources. We present new Centrifuge-compatible nt databases, meticulously constructed using a novel pipeline incorporating different quality control measures, including reference decontamination and filtering. These measures demonstrably reduce spurious classifications, as shown through our reanalysis of published metagenomic data where Plasmodium annotations were dramatically reduced using our decontaminated database, highlighting how database quality can significantly impact research conclusions. Through temporal comparisons, we also reveal how our approach minimizes inconsistencies in taxonomic assignments stemming from asynchronous updates between public sequence and taxonomy databases. These discrepancies are particularly evident in taxa such as Listeria monocytogenes and Naegleria fowleri, where classification accuracy varied significantly across database versions. These new databases, made available as pre-built Centrifuge indexes, respond to the need for an open, robust, nt-based pipeline for taxonomic classification in metagenomics. Applications such as environmental metagenomics, forensics, and clinical metagenomics, which require comprehensive taxonomic coverage, will benefit from this resource. Our work highlights the importance of treating reference databases as dynamic entities, subject to ongoing quality control and validation akin to software development best practices. This approach is crucial for ensuring accuracy and reliability of metagenomic analysis, especially as databases continue to expand in size and complexity.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

NFE-24-10417: Durability and Life-time Energy Performance Enhancement of Vapor Compression Systems

This project investigated the use of a Centrifugal Particle Separation (CPS) system to improve the durability and operational reliability of outdoor heat exchangers in vapor-compression based heating, ventilation, air conditioning, and refrigeration (HVACR) systems. The developed method introduced a novel dust and fouling mitigation approach by integrating an ambient air pre-cleaner that employs centrifugal forces to remove particulate matter from incoming air before it reaches the heat exchanger. By reducing the accumulation of dust and debris on coil surfaces, the CPS system aims to lower maintenance requirements and extend equipment lifespan. The project specifically involves coupling a centrifugal air pre-cleaner with a single-zone ductless mini-split system and evaluating its effectiveness in maintaining cleaner coil surfaces. Additionally, the study examined the impact of CPS integration on system energy performance. Through controlled experimental testing and performance monitoring, this work seeks to validate CPS-based air pre-cleaning as a practical, efficient solution for mitigating outdoor coil dust accumulation and fouling in both residential and commercial HVACR applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

Searching for heavy charged relics in the Earth

We propose a method for detecting an ambient density of heavy, electrically-charged particles. Such particles would impact the Earth, lose energy in terrestrial matter, and become trapped. We study the accumulation of these rare particles in multiple target materials that provide large exposure, such as water and geological rocks. We discuss strategies for concentrating the particles by centrifugation or gravitational settling, along with particle identification using mass spectrometry. This method enables the discovery of charged relics with masses $1-10^{12}\,{\rm TeV}$ comprising a tiny fraction of the local dark matter density, reaching down to $f_X\sim 10^{-20}$ at the lowest masses. A pathfinder experiment using only a liter of water and one centrifuge (or $\sim \text{m}^3$ and no centrifuge) operating for a month can already reach $f_X\sim 10^{-10}$ and probe new parameter space.

Ebadi, Reza [Johns Hopkins U.; Delaware U.] (ORCID↗

DOE OSTI2024

Technoeconomic Assessment of Phosphoric Acid and Rare Earth Element Recovery from Phosphoric Acid Sludge

Sustainability faces many challenges, including the availability of materials necessary for technological advancement. Rare earth elements (REEs), for example, are key materials for several manufacturing industries that can unlock renewable energy and sustainable development. In this study, a decanter centrifuge has been employed to successfully separated phosphoric acid and REE-containing particles from phosphoric acid sludge with concentrations ranging from 1000 to 2200 ppm REEs. Operating efficiently with up to 35 wt.% solids, the centrifuge was demonstrated to achieve approximately 95% phosphoric acid recovery and 90% REE recovery in a single pass, eliminating the need for additional processing steps. This breakthrough supports a proposed rare earth oxide (REO) recovery process integrating phosphoric acid (PA), elemental phosphorus (P4), and REO into two potential pathways: PA-REO and PA-P4-REO. These processes aim to reintroduce recovered phosphoric acid into the main product to significantly increase output and revenue. Post-separation, phosphorus-rich particles can be converted to P4, while REE-containing solids undergo further treatment including acid leaching, extraction/stripping, precipitation, and calcination to produce a marketable REO material. Technoeconomic analysis indicates promising profitability, with the PA-REO process showing a delta net present value (ΔNPV) of USD 441.8 million over a 12-year period and expected return within a year of construction, while the PA-P4-REO process yields a ΔNPV of USD 178.7 million over a 12-year return period. Both pathways offer robust financial prospects and demonstrate the feasibility of commercial-scale REO recovery from phosphoric acid sludge, offering an economically feasible approach to produce REEs for future sustainable development challenges related to sustainability.

36 MATERIALS SCIENCE↗

DOE OSTI2026

The Energy Costs of Dewatering Feedstock Microalgae Species Using Conventional Implementations of Ultrasonic and Crossflow Filtration Technologies

The use of microalgae as a feedstock for biofuels and other products continues to be explored, but large-scale biomass production faces persistent high costs. One major cost contributor is the energy required for harvesting and dewatering, a challenge resulting from the dilute nature of microalgae cultures as well as the properties of microalgae cells. This study investigated the energy demands of concentrating three diverse microalgae species (Nannochloropsis salina, Scenedesmus obliquus, and Chlorella luteoviridis) exhibiting different settling velocities, a key harvesting property, using conventional ultrasonic and crossflow membrane filtration. Membrane-free ultrasonic filtration removed 60-80% of the microalgae largely in steady-state operations, increasing concentrations 20-100 times, while consuming 1-6 kWh/m3 - similar to centrifugation. In contrast, crossflow membrane filtration retained nearly 100% of the microalgae, increasing concentrations over 20-fold, but consumed 158 kWh/m3 - over 10 times the energy of centrifugation. Both approaches exceeded the 10% energy target suggested in the 2010 National Algal Biofuel Technology Roadmap. This study also highlights potential sources of energy savings. For ultrasonic filtration, attention to an innovative, dynamic property of the ultrasonic chamber called the Energy Efficiency Factor, could lead to energy reductions by no more than 10-fold and improve the favorability of two of the microalgae species studied. For membrane filtration, a dead-end configuration could reduce energy consumption by no more than 1000-fold, making it favorable for all three species. This study not only highlights the need to further increase the energy content of microalgae cultures, but also the critical importance of continued development of ultrasonic filtration and other harvesting technologies to achieve low-cost, energy-sustainable algal biofuels.

09 BIOMASS FUELS↗

DOE OSTI2024

Acoustic Measurements of Solvent Extraction Processes in Support of Safeguards

The proposed poster focuses on using acoustic monitoring to advance detection techniques for reprocessing equipment in support of nuclear safeguards. The usage of free air acoustic monitoring has been previously demonstrated at Idaho National Laboratory (INL) at facilities such as the Advanced Test Reactor and the National Security Test Range. However, this work focuses on a deployment environment dedicated to monitoring separation processes, using solvent extraction equipment such as centrifugal contactors. This environment offers an opportunity for signal discovery and in characterizing acoustic signatures of the equipment in operation. This data can support the development of safeguards by design and security by design measures for aqueous reprocessing facilities. Furthermore, this type of monitoring can aid in early detection and identification of removed materials indicating diversion, which is essential for initiating material recovery and actor identification. The results of this work include data from nine low-frequency acoustic sensors used to investigate potential acoustic characteristics of centrifugal contactors used in multi-stage processes. The results also discuss the correlation between the signatures and the operation of the contactor banks.

98 - NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL↗

DOE OSTI2025

Approximating the particle distribution in rotating and tandem mirror traps

Steady-state distribution functions can be used to calculate stability conditions for modes, radiation energy losses and particle loss rates. Heuristic analytic approximations to these distributions can capture key behaviors of the true distributions such as the relative speeds of different transport processes while possessing computational advantages over their numerical counterparts. In this paper, we motivate and present a closed-form analytic model for a distribution of particles in a centrifugal or tandem mirror. We find that our model outperforms other known models in approximating numerical steady-state simulations outside of a narrow range of low confining potentials. We demonstrate the model’s suitability in the high confining potential regime for applications such as loss-cone stability thresholds, fusion yields and available energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Identifying Green Solvent Mixtures for Bioproduct Separation Using Bayesian Experimental Design

Liquid–liquid extraction (LLE) is a widely used technique for the separation and purification of liquid-phase products with applications in various industries, including pharmaceuticals, petrochemicals, and renewable chemistry. A critical step in the design of an LLE process is the selection of appropriate solvents. This study presents a new methodology for identifying solvent mixtures for bioproduct separation using Bayesian experimental design (BED). Motivated by the need for environmentally friendly and effective separation methods, we address the challenge of selecting solvent systems that balance separation efficiency, selectivity, and environmental impact while also tackling the difficulty of separating multiple bioproducts using complex solvent systems. Our approach specifically seeks to predict product partition coefficients (log10 Kp values) as thermodynamic parameters underlying solvent selection. The iterative approach integrates Bayesian optimization with experimental measurements to guide solvent selection and leverages COSMO-RS simulations to enhance high-throughput experimentation. Using the design of solvent systems for the separation of lignin-derived aromatic products via centrifugal partition chromatography (CPC) as a case study, we show that within seven iterations/cycles of the methodology, we can identify new mixtures of green solvents that align with CPC design principles. Furthermore, these results demonstrate the efficacy of the BED framework in optimizing green solvent systems for complex separations, highlighting the potential of this method to advance the field of green chemistry and contribute to the development of sustainable industrial processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

High‐Concentration Antibody Formulation via Solvent‐Based Dehydration

Abstract Although subcutaneous (SC) delivery is the preferred administration route for immunotherapies and other biologics for improved patient compliance and lower healthcare costs, it necessitates high‐concentration antibody formulations. However, high‐concentration antibody solutions face significant instabilities and prohibitively high viscosities. Other approaches for high‐concentration formulations have been developed, including non‐aqueous solutions, which can be irritating or painful, and antibody‐laden hydrogel microparticles, which require centrifugation and are limited to concentrations <300 mg mL −1 . This work presents a new formulation process wherein the antibody is concentrated and encapsulated into hydrogel microparticles via solvent‐based dehydration. The final dosage form is an aqueous particle suspension with a formulation concentration of 360 mg mL −1 . In this process, microparticles are synthesized continuously, and antibody precipitation is realized simultaneously to dehydration, which allows for higher antibody concentrations. Antibody phase behavior and precipitation–dehydration kinetics are analyzed. The antibody is structurally and functionally stable in the microparticle post‐processing and after 4 months. Injectability of the suspension meets clinical standards with glide force <20 N. For the first time, an aqueous antibody formulation at high concentrations comparable to non‐aqueous formulations is presented, ideal for subcutaneous administration. The process is envisioned to be generalizable as a platform for SC delivery in multiple clinical applications.

Zheng, Talia [Department of Chemical Engineering M↗

DOE OSTI2025

Optimized Illuminance Operation-A Light-Driven Dilution Strategy to Improve Microalgae Biomass Productivity

Periodic dilution is a necessary operation to avoid light limitation due to self-shading as the culture grows dense. However, environmental conditions are constantly changing in outdoor cultivation systems, making it difficult to determine the optimal dilution rate. To address this challenge, this study evaluated a dilution approach based on light penetration to optimize illuminance (OptiLum) in the culture. Biomass concentration was controlled via sensor-feedback directed dilution to ensure that light reaching the bottom of the culture was maintained above the compensation intensity. Under replicated outdoor pond conditions, by keeping the entire culture within a net-positive photosynthetic zone, the OptiLum operation improved the biomass productivities of two top-performing strains, Picochlorum celeri and Tetraselmis striata, by 95 % and 86 %, respectively, compared to conventional semi-continuous batch cultivation. The dilution rate varied daily and was dynamically adjusted based on the light status within the culture, which is concurrently influenced by weather, culture density, and growth rate. The techno-economic analysis showed that the OptiLum operation could reduce biomass production cost by as much as 24 % and 33 % for P. celeri and T. striata, respectively, assuming a low-cost dewatering approach with initial gravity settling of biomass can be realized for both strains. However, a more costly two-stage dewatering strategy, comprising only membranes and centrifuges, may be necessary for non-settling strains, such as P. celeri, which would alternatively increase production costs by 23 % for the OptiLum case. The results demonstrated that the proposed OptiLum operation is a promising approach to improve biomass productivity and lower production cost via weather-responsive and self-adjusting dilution.

09 BIOMASS FUELS↗

DOE OSTI2026

Isospin symmetry holds beyond the proton drip line: First observation of excited states in 55Cu

Isospin symmetry, combined with shell-model description, has long been successful in reproducing nuclear structure and predicting mirror energy differences. However, these descriptions have been primarily limited to mirror nuclei with well-bound ground states. As one approaches the proton drip line, coupling to the continuum becomes important. Despite this, little is known about medium-mass nuclei at the drip line. Here we report the measurement of the excitation energies of several unbound states in a nucleus beyond the proton drip line, 55Cu, performed via γ-ray spectroscopy at the Radioactive Isotope Beam Factory (RIKEN). Several low-lying yrast states are observed to decay predominantly by γ-ray emission. In contrast, the state–predicted to be strongly populated in the one-proton knockout reaction–is notably absent, suggesting that it decays primarily via prompt proton emission. We show that even for such an unbound system, shell-model calculations based on a harmonic oscillator potential reproduce the observed mirror energy differences remarkably well in all the observed states. Based on this result, we propose that a general pattern might emerge where, in medium-mass systems at the proton drip line, the stronger Coulomb barrier together with the centrifugal barrier effectively confines the wave functions, so that the shell model is able to describe low-lying states, enabling accurate predictions of mirror energy differences between isobaric analogue states.

Pigliapoco, S [Dipartimento di Fisica e Astronomia↗

DOE OSTI2025

Numerical analysis of air dehumidification through electrospray-enhanced vortical flow cyclone separator

The dehumidification of air is a highly energy-intensive process, typically requiring vapor compression systems to cool the air significantly below its dew point temperature. Here, this study numerically investigates air dehumidification achieved by electrostatic and dielectrophoresis forces in a converging duct and centrifugal principles in cyclone separators. An electrospray was employed to energize water droplets, which then captured water vapor via dielectrophoresis. A novelty of the present study is the inclusion of a cyclone separator positioned downstream of the electrospray. This combination increased the dehumidification efficiency and controlled the flow of the condensate. By integrating electrospray technology and applying an electric field, this study examines the impact of particle separation efficiency, pressure drops, and cyclone performance on air dehumidification. The control parameters for air dehumidification were investigated. Three cyclones were modelled for airflow rates of 5 cubic feet per minute [cfm] (0.0024 m 3 /s), 38 cfm (0.0179 m 3 /s), and 200 cfm (0.094 m 3 /s). The results indicated air dehumidification was up to 5.7 % under environmental conditions, similar to those used to validate the CFD model. The degree of air dehumidification was primarily influenced by the electric charge acquired by the water droplets, their flight trajectory, and the vorticity intensity within the cyclone. Air dehumidification could increase by up to 13 % by increasing the number of droplets injected into the air stream, the flight time, and the electrical charge. The breakdown electric field strength threshold near the electrospray was a limiting factor for further enhancing dehumidification performance. This study examines the optimization of an electro-assisted dehumidification system that includes cyclone-based droplet separation through numerical analysis. The results provide insights into the design of energy-efficient air treatment technologies.

42 ENGINEERING↗

DOE OSTI2024

Multiple-charging effects on the CCN activity and hygroscopicity of surrogate black carbon particles

Accurate measurements of cloud condensation nuclei (CCN) activity and hygroscopicity of black carbon (BC)-containing particles are particularly important because of the positive climate forcing from these particles. Such measurements are typically conducted on particles selected by a Differential Mobility Analyzer (DMA), which in addition to singly charged particles transmits multiply charged larger particles that have the same electrical mobility. These larger particles activate at lower supersaturations than the singly charged particles, biasing measurements and resulting in overestimation of CCN activity and hygroscopicity parameter (κ). Here, we measure the CCN activity and determine κ for different BC surrogates with electrical mobility diameters from 100 to 200 nm selected 1) only by electrical mobility with a DMA, and 2) by both electrical mobility and mass using a DMA and a Centrifugal Particle Mass Analyzer (CPMA), thus allowing selection of only singly charged particles. We demonstrate the use of the DMA-CPMA system in resolving biases caused by multiply charged particles, and we show that the effect of multiple charging on the CCN activity of the BC particles is strongly influenced by morphology dispersion, i.e., the variability due to the range of morphologies of particles that have the same electrical mobility and mass. Finally, our findings show that electrical mobility-based methods alone are unlikely to lead to accurate results in measurements of CCN activation and hygroscopicity of BC particles, even for those with a more compact morphology.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Measuring very low radiation doses in PTFE for nuclear forensic enrichment reconstruction

Every country that has made nuclear weapons has used uranium enrichment to do so. Despite the centrality of this technology to international security, there is still no reliable physical marker of past enrichment in the open literature that can be used to perform forensic verification of historically produced weapons on gas centrifuges. We show that the extremely low radioactivity from uranium alpha emissions during enrichment leaves detectable and irreversible calorimetric signatures in the common enrichment gasket material PTFE, allowing for historical reconstruction of past enrichment activities at a sensitivity better than one weapon’s quantity of highly enriched uranium. Fast scanning calorimetry also enables the measurement of recrystallization enthalpies of sequentially microtomed slices, confirming the magnitude and the type of radiation exposure while also providing detection of tampering and a method for analyzing field samples useful for treaty verification. Furthermore, this work opens the door for common items to be turned into precise dosimeters to detect the past presence of radioactivity, nuclear materials, and related activities with high confidence.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2025

Dynamic separation of gases using microsieves

Separation of light weight molecules, such as nitrogen, argon, and oxygen, from heavier compounds can have significant impacts on energy capture, environmental monitoring, or isotopic applications. Large-scale gas separation techniques, like gas centrifugation and membrane mitigation, can be problematic as they impart tremendous energy and induce high mechanical stress onto the instrumentation. Microsieves, also known as micronozzles or microfunnels, are developed to create physical barriers to separate specific isotopes and gases. Separation is achieved using a converging and diverging micronozzle to impose supersonic gas flow around a curved wall, and it has been used for the separation of heavy actinide isotopes in low weight gas as well as separation of low weight gas compositions of nitrogen and argon back in 1900s. However, systematic reviews of this unique technology are lacking. The application of the Laval style nozzle, which has a converging/diverging entrance fundamental to the micronozzle, is included in this review due to its importance in industrial applications in uranium (U) isotope refinement. Using advanced computational fluid dynamic (CFD) simulations, the extent of gas separation can be modelled. Herein, we first examine the literature and survey recent advances on fabrication techniques for creating curved micronozzles, methods and separation principles used to design devices. Furthermore, we then follow with highlights of CFD simulations applied to evaluate the separation effects using microsieves. Finally, identification of the gap and recommendation for future development and applications are suggested for using intrinsic molecular features and fluidic dynamics in formulating separation strategies.

30 Microfluidics↗

DOE OSTI2026

Demonstration of an All-Refractory Corrosion-Resistant Molten Salt Pumping and Storage Infrastructure Up to 950 degrees C

Concentrating solar power (CSP) with thermal energy storage (TES) has an estimated cost similar to solar photovoltaics (PV) with lithium-ion batteries (LIB), but CSP + TES has the potential for significantly reduced cost by operating above 700 degrees C. However, this requires a TES medium and containment infrastructure which are chemically compatible and do not degrade above 700 degrees C. MgCl2-KCl-NaCl (MKN) salt is a promising medium, but when MKN salt has small amounts of water and oxygen dissolved in it, it excessively corrodes conventional commercial alloys. Here, we consider refractory materials including graphite, carbon-carbon composite (C/C), and molybdenum because they maintain high mechanical strength at elevated temperatures and are expected to resist corrosion by MKN salt. While selection of refractory materials is often constrained by the need to remain chemically stable in air, this work uses an enclosure filled with inert gas to allow the use of materials like graphite and molybdenum. Notably, graphite components can seal against liquids unlike many brittle refractory materials. We demonstrate a centrifugal pump and mechanical seals made of refractory materials in a laboratory-scale circulation loop, which successfully operated continuously for more than 49 h at temperatures ranging from 750 degrees C to 950 degrees C with no mechanical failures or chemical degradation of the refractory materials. To the best of our knowledge, this is the highest temperature molten salt circulation loop that has been successfully developed, and this refractory infrastructure allows for operation at even much higher temperatures (<1600 degrees C) if a storage medium with a lower vapor pressure is used. The principles of this architecture are relevant to other applications with high temperature flowing metals and salts including Generation IV nuclear fission reactors for power production and molten salt electrolysis reactors for metallurgical processing.

14 SOLAR ENERGY↗

DOE OSTI2026

Simulations of a hypersonic turbulent boundary layer over wavy surfaces

Here, we conduct large-eddy simulations of a Mach 5.84 cold wall turbulent boundary layer over one-dimensional wavy walls with varying amplitudes and wavelengths. Across all wall topologies, a series of alternating shock and expansion waves is shown to influence the entire boundary layer, and generate repeating wave patterns in the turbulent stresses, dispersive stresses, and turbulent kinetic energy budget. The series of alternating shocks and expansions imposes repeating adverse and favourable pressure gradients across the wavy wall, and at sufficient wall amplitude, triggers flow separation in the trough of the wave. Flow separation is demonstrated to influence the behaviour of wall pressure fluctuations over the wavy wall. In attached flows, the prominent frequencies are consistent with integral-scale boundary layer turbulence, whereas in separated flows, a two-decade frequency range is present, akin to two-dimensional shock–boundary layer interactions. Counter-rotating streamwise-oriented structures are observed on the windward side of the wave, which diminish over the wave crest. A conditional analysis demonstrates that these structures are present in the upstream boundary layer, and are amplified with increasing wall amplitude. An examination of the Görtler number and probability density function (PDF) of the fluctuating lateral wall shear stress demonstrates the strong correlation between a large Görtler number and growth of the PDF tail density, suggesting that the amplification of the counter-rotating streamwise-oriented structures are linked to centrifugal instabilities in regions of streamline concavity.

boundary layers↗

DOE OSTI2024

Structure and dynamics of magneto-inertial, differentially rotating laboratory plasmas

We present a detailed characterization of the structure and evolution of differentially rotating plasmas driven on the MAGPIE pulsed-power generator (1.4 MA peak current, 240 ns rise time). The experiments were designed to simulate physics relevant to accretion discs and jets on laboratory scales. A cylindrical aluminium wire array Z pinch enclosed by return posts with an overall azimuthal off-set angle was driven to produce ablation plasma flows that propagate inwards in a slightly off-radial trajectory, injecting mass, angular momentum and confining ram pressure to a rotating plasma column on the axis. However, the plasma is free to expand axially, forming a collimated, differentially rotating axial jet that propagates at ${\approx }100\,{\rm km}\,{\rm s}^{-1}$ . The density profile of the jet corresponds to a dense shell surrounding a low-density core, which is consistent with the centrifugal barrier effect being sustained along the jet's propagation. We show analytically that, as the rotating plasma accretes mass, conservation of mass and momentum implies plasma radial growth scaling as $r \propto t^{1/3}$ . As the characteristic moment of inertia increases, the rotation velocity is predicted to decrease and settle on a characteristic value ${\approx }20\,{\rm km}\,{\rm s}^{-1}$ . We find that both predictions are in agreement with Thomson scattering and optical self-emission imaging measurements.

Valenzuela-Villaseca, V. (ORCID:0000000167721441)↗