Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “component isolation”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

SiC-Based 5-kV Universal Modular Soft-Switching Solid-State Transformer (M-S4T) for Medium-Voltage DC Microgrids and Distribution Grids

Medium-voltage DC (MVDC) grids are attractive for electric aircraft and ship power systems, battery energy storage system (BESS), fast charging electric vehicle (EV), etc. Such EV or BESS applications need isolated bidirectional MVDC to LVDC or LVAC converters. However, the existing Si-based solutions cannot fulfill the requirements of a high-efficiency and robust converter for MVDC grids. This paper presents a 5 kV SiC-based universal modular solid-state transformer (SST). This universal current-source SST can interface either a LVAC or LVDC grid with a MVDC grid in single-stage power conversion, while the conventional dual active bridge (DAB) converter needs an additional inverter. The proposed SST module using 3.3 kV SiC MOSFETs and diodes is bidirectional and can serve as a building block in series or parallel for higher-voltage higher-power systems. The topology of each module is based on the soft-switching solid-state transformer (S4T) with reduced conduction loss, which features reduced EMI through controlled dv/dt, and high efficiency with full-range ZVS for main devices and ZCS for auxiliary devices. Operation principle of the modular S4T (M-S4T), capacitor voltage balancing control between the cascaded modules, design of components including a medium-voltage (MV) medium-frequency transformer (MFT) to realize a 50 kVA 5 kV DC to 600 V DC or 480 V AC M-S4T are presented. Importantly, the MV MFT prototype achieves very low leakage inductance (0.13%) and 15 kV insulation with coaxial cables and nanocrystalline cores. Here, the proposed universal modular SST is compared against the DAB solution and verified with DC-DC and DC-AC simulation and 4 kV experimental results. Significantly, the MV experimental results of a modular DC transformer with each module at MVDC are rarely covered in the literature and reported for the first time.

14 SOLAR ENERGY↗
DOE OSTI2025

Energy impacts of nationwide window upgrades in commercial buildings

This report presents comprehensive estimates of the energy impacts of nationwide commercial building window upgrades in the United States, using a conservative approach. Windows play a substantial role in determining building energy use and occupant experience. Estimates point to commercial building windows impacting loads that represent more than 6 quads (approximately 6%) of annual primary energy use in the U.S. (Harris, 2022). Beyond heating and cooling loads, windows also have effects on lighting and occupant comfort. The fastest route to improving the energy efficiency of windows in U.S. buildings is upgrading or replacing windows in existing buildings. This is due to poor performance of windows in older existing buildings compared to most new construction, low levels of window replacement, and long window service life compared to energy-using building components. Nationwide window upgrades were considered using the following technologies: • Secondary glazing systems • Double pane (clear and tinted) • Triple pane (clear and tinted) • Electrochromic glazing Nationwide upgrades provide on the order of 4%–6% site energy savings in typical buildings, or up to 26% in buildings with the highest savings potential. Electrochromic windows, with their ability to adapt dynamically to environmental conditions, can provide additional benefits, ranging from median savings of 7.2% in buildings with window to wall ratio (WWR) greater than 10% and up to 28% for some buildings. Savings increase substantially for buildings with higher WWR. This study’s approach focused on isolating the direct energy benefits from improvement in window performance, and does not take into account the following additional benefits from window retrofits, which are likely to be substantial: • Managing peak demand and enabling HVAC equipment downsizing. • Energy savings from customizing upgrades to building type and climate. • Energy savings and comfort improvements resulting from post-retrofit reductions in air leakage. • Non-energy benefits, such as occupant comfort and resilience during extreme weather.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

A Phenotarget Approach for Identifying an Alkaloid Interacting with the Tuberculosis Protein Rv1466

In recent years, there has been a revival of interest in phenotypic-based drug discovery (PDD) due to target-based drug discovery (TDD) falling below expectations. Both PDD and TDD have their unique advantages and should be used as complementary methods in drug discovery. The PhenoTarget approach combines the strengths of the PDD and TDD approaches. Phenotypic screening is conducted initially to detect cellular active components and the hits are then screened against a panel of putative targets. This PhenoTarget protocol can be equally applied to pure compound libraries as well as natural product fractions. Here we described the use of the PhenoTarget approach to identify an anti-tuberculosis lead compound. Fractions from Polycarpa aurata were identified with activity against Mycobacterium tuberculosis H37Rv. Native magnetic resonance mass spectrometry (MRMS) against a panel of 37 proteins from Mycobacterium proteomes showed that a fraction from a 95% ethanol re-extraction specifically formed a protein-ligand complex with Rv1466, a putative uncharacterized Mycobacterium tuberculosis protein. The natural product responsible was isolated and characterized to be polycarpine. The molecular weight of the ligand bound to Rv1466, 233 Da, was half the molecular weight of polycarpine less one proton, indicating that polycarpine formed a covalent bond with Rv1466.

phenotarget approach, MRMS, polycarpine, drug disc↗
DOE OSTI2022

Chemical Challenges that the Peroxide Dianion Presents to Rechargeable Lithium–Air Batteries

Understanding the fundamental redox reactions and processes that occur in lithium–air and, more generally, metal–air batteries is important to the progress of this promising energy-storage technology. Knowledge of the chemistry of the peroxide dianion, O 2 2– , is especially crucial, as the dianion is at the nexus of the charge/discharge cycle of lithium–air batteries. The intrinsic electron transfer properties and redox chemistry of peroxide dianion are poorly defined because it is difficult to isolate the dianion free of protons and metal ions. We review the results of (i) the electron transfer kinetics and (ii) the redox reaction chemistry of isolated peroxide dianion encapsulated within the cavity of a hexacarboxamide cryptand. With regard to the former, electron transfer kinetics measurements provide fundamental Marcus parameters that will be useful for models that seek to disentangle the precise contributions of Li + ion-coupled electron transfer, electron transfer across the Li 2 O 2 solid particle interface, and charge hopping among Li 2 O 2 particles. With regard to the latter, an underappreciated chemistry of peroxide dianion with CO 2 produces peroxymonocarbonate (OOCO 2 2– ) and peroxydicarbonate (O 2 COOCO 2 2– ). An autocatalytic cycle will lead to oxidative degradation of traditional organic electrolytes and other vulnerable cell components employed in lithium–air batteries. Furthermore, this peroxycarbonate-derived chemistry, in addition to more commonly recognized solution-based oxidation chemistry, will need to be mitigated to realize the long-term cyclability of rechargeable lithium–air batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

Dust supply to close binary systems

Binary systems can be born surrounded by circumbinary discs. The gaseous disc around either of the two stellar companions can have its life extended by the supply of mass arriving from the circumbinary disc. The objective of this study is to investigate the gravitational interactions exerted by a compact and eccentric binary system on the circumbinary and circumprimary discs, and the resulting transport of gas and solids between the disc components. We assume that the gas in the system behaves as a fluid, and we model its evolution by means of high-resolution hydrodynamical simulations. Dust grains are modelled as Lagrangian particles that interact with the gas and the stars. Our models indicate that significant fluxes of gas and dust proceed from the circumbinary disc towards the circumprimary disc. For the applied system parameters, grains of certain sizes are segregated outside the tidal gap generated by the stars. Consequently, the size distribution of the transported dust is not continuous, but presents a gap in the millimetre size range. In close binaries, the lifetime of an isolated circumprimary disc is found to be short, ~10 5 years, because of its low mass. However, because of the influx of gas from beyond the tidal gap, the disc around the primary star can survive much longer, ~10 6 years, as long as gas accretion from the circumbinary disc continues. The supply of solids and the extended lifetime of a circumbinary disc also aids in the possible formation of giant planets. Compared to close binary systems without a circumbinary disc, we expect a higher frequency of singleplanet or multiple-planet systems. Additionally, a planetesimal or debris belt can form in the proximity of the truncation radius of the circumprimary disc and/or around the location of the exterior edge of the tidal gap.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Evaluating the resilience benefits of marine energy in microgrids

Marine energy resources could promote clean energy and resilience of coastal and island microgrids, and thus, these applications are a key future market for marine energy development. To demonstrate these benefits, this paper illustrates how inclusion of wave resources into energy resilience solutions can improve overall grid efficiency and sustainability, as well as maintain electricity supply during grid outages. The paper describes a case study evaluation of the potential to add wave energy to the Moloka'i grid as Hawaii strives to meet a 100% clean energy target. The Microgrid Component Optimization for Resilience tool is used to simulate operation in off-grid conditions and size different combinations of wave, solar photovoltaic (PV), wind, storage, and fuel resources required to meet resilience objectives. This research investigates how including wave resources in a microgrid contributes to reducing or eliminating biofuel generation, producing a zero-greenhouse gas emission profile in the latter case, and avoiding the over-sizing of PV and battery systems to accommodate periods of unavailability or high demand. Insight from this paper supports the value proposition of wave resources for future markets and informs the relationship between marine generators and microgrids or isolated grids.

16 TIDAL AND WAVE POWER↗
DOE OSTI2025

Measurements of Beam Spin Asymmetries in p+p0 and p´p0 Dihadron Production at CLAS12

Semi-Inclusive Deep Inelastic Scattering (SIDIS) is a powerful experimental tool for studying the internal structure and dynamics of the proton, revealing how quarks and gluons are distributed and interact within it. SIDIS describes a process where an elec tron scatters off one of the constituent quarks within the proton, causing it to undergo hadronization, creating multiple hadrons in the final state. Through factorization, the full process can be split into probabilistic components: one which describes the internal structure of the proton using Parton Distribution Functions (PDFs), and another which describes the hadronization process using Fragmentation Functions (FFs). These functions are non-perturbative quantities of Quantum Chromodynamics (QCD), meaning they cannot be calculated directly from first principles and must instead be extracted from experimental measurements. Acommon approach for accessing PDFs and FFs using SIDIS is to measure asymmetries. In this context, asymmetries correspond to subtle differences in the angular distribution of outgoing particles that arise when the spin orientation of the incoming beam or target is reversed. Because many of these effects only appear when spin is involved, they isolate specific, nuanced properties of the proton’s spin-structure that are otherwise hidden in spin averaged measurements. In practice, they show up as specific azimuthal modulations (e.g., sin ¿R, sin(¿h ´ ¿R)), whose amplitudes isolate convolutions of PDFs and FFs at leading and subleading twist. Non-zero asymmetries of these angular distributions can be traced back to unique combinations of PDFs and FFs, offering a way to probe them directly. In this work, we measure SIDIS by analyzing high energy electron-proton scattering events using the CLAS12 detector at Jefferson Lab. This study focuses on subset of SIDIS referred to as dihadron SIDIS, where pairs of hadrons — here p+p0 and p´p0 — are observed. We analyzed these dihadrons using detector data collected during Fall 2018 and Spring 2019, where longitudinally polarized electrons from the CEBAF accelerator were incident on a liquid hydrogen target. A photon classifier using a Gradient Boosted Trees (GBTs) architecture was trained using Monte Carlo simulations to reduce the amount of iv false combinatorial background p0’s. When deployed on experimental data, the model in creases our dihadron statistics by up to five-fold compared to previous CLAS12 p0 analyses. This work reports the first measurements of beam spin asymmetries for p+p0 and p´p0 dihadron production in SIDIS. The measured asymmetries offer new insights to the spin-dependent structure and dynamics within the proton, as well as the spin-dependent properties of quark fragmentation. Non-zero twist-3 sin¿R amplitudes are observed, pro viding sensitivity to the subleading twist PDF e(x). The PDF e(x) encodes quark-gluon correlations within the proton — a property that is otherwise inaccessible at leading twist. Additionally, this work measured significant twist-2 modulations carried by sin(¿h ´ ¿R) and sin(2¿h ´2¿R), providing experimental access to the helicity dihadron fragmentation function (DiFF) GK 1 . Because there is no equivalent quark helicity-dependent FF in single pion SIDIS, the DiFF GK 1 offers a unique lens into novel spin-dependent fragmentation. For instance, the twist-2 modulations observed in this study are enhanced by vector mesons created during fragmentation — a behavior predicted by phenomenological models. This study broadens our understanding of dihadron fragmentation, revealing new details about the flavor and charge dependence of hadronization.

Matousek, Gregory [Duke Univ., Durham, NC (United ↗
DOE OSTI2026

Isolating the Vibrational Spectra of the Red Chlorophylls in Photosystem I with Multispectral Two-Dimensional Spectroscopy

Photosystem I (PSI) uses an antenna of chlorophyll (Chl) molecules to create a charge separated state with high quantum efficiency. Understanding the charge separation mechanism is currently hindered by spectral overlap between the antenna and reaction center (RC) Chls and the fact that energy transfer and electron transfer occur with similar time scales. Here, we characterize the antenna excited states by applying two-dimensional electronic (2DES) and two-dimensional electronic-vibrational (2DEV) spectroscopy to PSI complexes with closed RCs. Comparison of the 2DES and 2DEV spectra, which evolve with the same kinetics, enabled characterization of the vibrational modes of the antenna during energy equilibration between spectrally distinct Chls. Through global analysis, we learn how energy transfer between the Bulk and Red Chls presents in the 2DEV spectra and we definitively identify vibrations of the cationic components of the mixed exciton and intermolecular charge transfer states associated with the Red Chls. This work enables future studies of the initial charge separation mechanism of PSI by 2DEV spectroscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Waste Control Specialists Technical Review Team Report

1. Modeling of Drum 68660 and the WCS Drums: A calibrated model of Los Alamos National Laboratory (LANL) Drum 68660 indicates that pressurization of the drum by restriction of drum venting could have led to the thermal runaway reaction at the Waste Isolation Pilot Plant (WIPP) in 2014, supporting the hypothesis that the contents of the drum were not fundamentally different from the overall remediated nitrate salt (RNS) waste stream. 2. Nitric Acid Reactions and Aging of the Waste: The stability of the WCS RNS waste with respect to autocatalytic thermal runaway due to nitric acid chemistry should increase over time as the nitric acid is depleted from chemical reactions in the drum. However, this cannot be confirmed because of the lack of long-term experimental data on the impact of aging on the reactivity of RNS waste. The calibrated model indicates that the waste drums retain most of their reactive components, metal nitrate salts and sWheat Scoop ® , even after eight years. 3. Pressure Effects and Runaway Reactions: The calibrated model indicates that if the drums and standard waste boxes (SWBs) are not allowed to pressurize during transport or storage and they are stored at historical WIPP repository temperatures, then an autocatalytic thermal runaway event is not expected to occur. Since the cause of Drum 68660 pressurization is not known, decision makers are not able to tailor mitigating strategies to the initiating event. Consequently, mitigating strategies must consider all feasible internal and external events that could lead to the pressurization of the drums. 4. Temperature Effects and Runaway Reactions: Temperature also has a strong influence on the stability of the waste. The calibrated model indicates that cooling the drums or SWBs can reduce the possibility of autocatalytic thermal runaway reactions. Simulations suggest that for a drum with a plugged vent, the probability of thermal runaway may be reduced or eliminated if wastes are maintained at or below 43 °F through active cooling measures from the initiation of transport until emplacement at WIPP.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Achieving Integrated Daylighting and Electric Lighting Systems: Current State of the Art and Needed Research

This paper presents the results of a multi-disciplinary scoping study, the goals of which were to see the seamless integration and application of light in buildings, regardless of source, that is purposely modulated to illuminate surfaces and designed in a way that is comfortable, healthy, pleasing, cost effective, and energy efficient. The scoping study was performed in order to set the stage for transforming the design and realization of lighting systems integration (daylight and electric). This, in turn, will support achieving the the U.S. Department of Energy’s (DOE) Building Technologies Office (BTO) long-term energy savings goals. Holistic lighting systems of the future should include components that are adaptable to change, resilient to disruption, and robust. The system of codes, standards, guidelines, and contracts employed to design and implement lighting systems should be structured to help them to flourish, rather than being barriers to realization. Finally, the research thrusts and mechanisms should be engaged with these goals in mind. While integrated lighting systems may reduce lighting energy use in buildings, a broader web of non-energy impacts affecting occupant’s overall health, comfort, and satisfaction may also guide technology investment goals when the entire lighting systems lifecycle is considered. Daylighting systems are separated from electric lighting systems, and both are characteristically detached from other systems such as safety, security, communications, and information systems. Being disconnected from the inputs and outputs of other building systems precludes the ability to acquire and utilize information about occupation, status of systems, and interior and exterior environmental conditions. The outcome of this separation is that the standard building is not fulfilling the potential for creating dynamic and holistic lighting for building occupants.

Davis, Robert G.↗
DOE OSTI2025

Deer Vigilance and Movement Behavior Are Affected by Edge Density and Connectivity

ABSTRACT Animal behavior is an important component of individual, population, and community responses to anthropogenic habitat alteration. For example, antipredator behavior (e.g., vigilance) and animal movement behavior may both be important behavioral responses to the increased density of habitat edges and changes in patch connectivity that characterize highly modified habitats. Importantly, edge density and connectivity might interact, and this interaction is likely to mediate animal behavior: linear, edge‐rich landscape features often provide structural connectivity between patches, but the functional connectedness of patches for animal use could depend upon how edge density modifies animal vigilance and movement. Using remote cameras in large‐scale experimental landscapes that manipulate edge density (high‐ vs. low‐density edges) and patch connectivity (isolated or connected patches), we examined the effects of edge density and connectivity on the antipredator behavior and movement behavior of white‐tailed deer ( Odocoileus virginianus ). Deer vigilance was 1.38 times greater near high‐density edges compared to low‐density edges, regardless of whether patches were connected or isolated. Deer were also more likely to move parallel to connected high‐density edges than all other edge types, suggesting that connectivity promotes movement along high‐density edges. These results suggest that increases in edge density that accompany human fragmentation of existing habitats may give rise to large‐scale changes in the antipredator behavior of deer. These results also suggest that conservation strategies that simultaneously manipulate edge density and connectivity (i.e., habitat corridors) may have multiple effects on different aspects of deer behavior: linear habitat corridors were areas of high vigilance, but also areas where deer movement behavior implied increased movement along the habitat edge.

Bartel, Savannah L. [University of Wisconsin‐Madis↗
DOE OSTI2022

Asynchronous Reciprocal Coupling of Martini 2.2 Coarse-Grained and CHARMM36 All-Atom Simulations in an Automated Multiscale Framework

The appeal of multiscale modeling approaches is predicated on the promise of combinatorial synergy. However, this promise can only be realized when distinct scales are combined with reciprocal consistency. Here, we consider multiscale molecular dynamics (MD) simulations that combine the accuracy and macromolecular flexibility accessible to fixed-charge all-atom (AA) representations with the sampling speed accessible to reductive, coarse-grained (CG) representations. AA-to-CG conversions are relatively straightforward because deterministic routines with unique outcomes are achievable. Conversely, CG-to-AA conversions have many solutions due to a surge in the number of degrees of freedom. While automated tools for biomolecular CG-to-AA transformation exist, we find that one popular option, called Backward, is prone to stochastic failure and the AA models that it does generate frequently have compromised protein structure and incorrect stereochemistry. Although these shortcomings can likely be circumvented by human intervention in isolated instances, automated multiscale coupling requires reliable and robust scale conversion. In this work, we detail an extension to Multiscale Machine-learned Modeling Infrastructure (MuMMI), including an improved CG-to-AA conversion tool called sinceCG. This tool is reliable (~98% weakly correlated repeat success rate), automatable (no unrecoverable hangs), and yields AA models that generally preserve protein secondary structure and maintain correct stereochemistry. We describe how the MuMMI framework identifies CG system configurations of interest, converts them to AA representations, and simulates them at the AA scale while on-the-fly analyses provide feedback to update CG parameters. Application to systems containing the peripheral membrane protein RAS and proximal components of RAF kinase on complex eight-component lipid bilayers with ~1.5 million atoms is discussed in the context of MuMMI.

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

Methanogens acquire and bioaccumulate nickel during reductive dissolution of nickelian pyrite

ABSTRACT Nickel (Ni) is a key component of the active site metallocofactors of numerous enzymes required for methanogenesis, including [NiFe]-hydrogenase, carbon monoxide dehydrogenase, and methyl CoM reductase, leading to a high demand for Ni among methanogens. However, methanogens often inhabit euxinic environments that favor the sequestration of nickel as metal-sulfide minerals, such as nickelian pyrite [(Ni,Fe)S 2 ], that have low solubilities and that are not considered bioavailable. Recently, however, several different model methanogens ( Methanosarcina barkeri , Methanococcus voltae , Methanococcus maripaludis ) were shown to reductively dissolve pyrite (FeS 2 ) and to utilize dissolution products to meet iron and sulfur biosynthetic demands. Here, using M. barkeri Fusaro, and laboratory-synthesized (Ni,Fe)S 2 that was physically isolated from cells using dialysis membranes, we show that trace nickel (<20 nM) abiotically solubilized from the mineral can support methanogenesis and limited growth, roughly fivefold less than the minimum concentration known to support methanogenesis. Furthermore, when provided direct contact with (Ni,Fe)S 2 , M. barkeri promoted the reductive dissolution of (Ni,Fe)S 2 and assimilated solubilized nickel, iron, and sulfur as its sole source of these elements. Cells that reductively dissolved (Ni,Fe)S 2 bioaccumulated approximately fourfold more nickel than those grown with soluble nickel and sulfide but had similar metabolic coupling efficiencies. While the mechanism for Ni uptake in archaeal methanogens is not known, homologs of the bacterial Nik uptake system were shown to be ubiquitous across methanogen genomes. Collectively, these observations indicate that (Ni,Fe)S 2 is bioavailable in anoxic environments and that methanogens can convert this mineral into nickel-, iron-, and sulfur-containing metalloenzymes to support methanogenesis and growth. IMPORTANCE Nickel is an essential metal, and its availability has changed dramatically over Earth history due to shifts in the predominant type of volcanism in the late Archean that limited its availability and an increase in euxinic conditions in the early Proterozoic that favored its precipitation as nickel sulfide minerals. Observations presented herein indicate that the methanogen, Methanosarcina barkeri , can acquire nickel at low concentration (<20 nM) from soluble and mineral sources. Furthermore, M. barkeri was shown to actively reduce nickelian pyrite; use dissolution products to meet their iron, sulfur, and nickel demands; and bioaccumulate nickel. These data help to explain how M. barkeri (and possibly other methanogens and anaerobes) can acquire nickel in contemporary and past anoxic or euxinic environments.

(NiFe)S2↗
DOE OSTI2023

A low-mass hub–filament with double centre revealed in NGC 2071-North

We present the first analysis in NGC 2071-North as a resolved hub–filament featuring a double centre. This ∼1.5 × 1.5 pc 2 scale filament hub contains ∼500 M ⊙ . Seen from Planck, magnetic field lines may have facilitated the gathering of material at this isolated location. The energy balance analysis, supported by infalling gas signatures, reveals that these filaments are currently forming stars. Herschel 100 $\mu$m emission concentrates in the hub, at IRAS 05451+0037 and LkHα 316, and presents diffuse lobes and loops around them. We suggest that such a double centre could be formed, because the converging locations of filament pairs are offset, by 2.3 arcmin (0.27 pc). This distance also matches the diameter of a hub ring, seen in column density and molecular tracers, such as HCO + (1–0) and HCN (1–0), that may indicate a transition and the connection between the hub and the radiating filaments. We argue that all of the three components of the emission star LkHα 316 are in physical association. We find that a ∼0.06-pc-sized gas loop, attached to IRAS 05451+0037, can be seen at wavelengths all the way from the Panoramic Survey Telescope and Rapid Response System (Pan-STARRS)-i to Herschel 100 $\mu$m. These observations suggest that both protostars at the double hub centre are interacting with the cloud material. In our 13 CO data, we do not seem to find the outflow of this region that was identified in the 1980s with much lower resolution.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Development of a Reconstruction Methodology Based on X-Ray Computed Tomography to Generate Realistic 3D Concrete Microstructures in MOSAIC

Despite being passive components, concrete structures represent a major capital investment in nuclear power plants. However, some concrete components are critical for the safety and long-term operation of the reactors: the concrete containment building protects the reactors from external aggression. The concrete biological shield (CBS) contains the radiation exiting the reactor to protect equipment and personnel. Depending on the design, the CBS also has a function for supporting the reactor’s systems. This function needs to be ensured in-service and during accident scenarios. After several decades of use, the CBS is exposed to high-energy irradiation over an extended operation time, exceeding the fluence level currently considered detrimental for the concrete’s structural properties. Such conditions occur at different times depending on the reactor’s operation and design. Nevertheless, from the perspective of subsequent license application, it is mandatory to assess the potential effects of prolonged irradiation on concrete. Unlike steel components, concrete structures are built with local constituents (cement, sand, and coarse aggregates) to avoid prohibitive transportation costs. Thus, concrete performance is determined by the tolerance or the susceptibility of its constituents against any aging mechanism. The tolerance against irradiation of the CBSs may vary greatly among the 56 nuclear power plants and 93 nuclear power reactors that form the current US light-water reactor fleet. Irradiation-induced degradation is mainly a result of amorphization-induced expansions of the silicated minerals present in the aggregates. The neutron irradiation–induced expansion varies from one rock-forming mineral to another: well framework–structured silicates (e.g., quartz and feldspars) exhibit higher swelling than chained (e.g., pyroxene) or isolated silicates (e.g., garnet). Silicates make up nearly 90% of the Earth’s crust. Other common minerals present in construction aggregates are carbonates found, for example, in limestone. Irradiated carbonates exhibit only very minor expansions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Two-phase flow numerical analysis of electrode geometry for alkaline water electrolyzers

Hydrogen is a promising component of a future energy-secure and efficient economy, but its competitiveness depends on reducing production costs. One strategy is to operate alkaline water electrolyzers at higher current densities to increase output. However, this intensifies performance losses due to gas bubble accumulation, which blocks transport pathways and deactivates electrochemically active surfaces. Enhancing bubble evacuation through electrode design is therefore essential. Previous studies have explored various approaches — such as modifying surface morphology, applying sonication or pressure modulation, and introducing surfactants — but these efforts have addressed a limited range of conditions due to the complexity of two-phase flow and electrode geometries. Experiments have also largely been focused on either cell level improvements, which lack the information necessary to isolate each contributing factor, or on modified geometries that are not relevant to practical cell operation. From a modeling perspective, conventional Eulerian multiphase models do not track the complex gas–liquid interfacial dynamics and often neglect surface tension and contact angle effects, reducing their predictive accuracy. To provide insights on the effects of different electrode geometries on the performance of alklaine water electrolyzers this work employs an immersed boundary volume-of-fluid method to simulate bubble behavior in 3D porous electrodes. Multiple base electrode geometries, typically used in practice, with varying porosity are evaluated under a constant surface gas generation rate. Simulation data is analyzed to quantify electrode gas coverage, bubble size dynamics and other relevant metrics. Results show that porosity strongly influences bubble accumulation on electrode surfaces, with higher porosity reducing gas coverage, and its not strictly dependent on the electrode geometry. However, the electrode’s base geometry significantly affects gas accumulation at the separator gap, independent of porosity. A foam electrode geometry resulted in the lowest gas coverage of all electrodes with a median volumetric gas coverage of 11%, but at the cost of a 70% reduction in active area compared with the largest surface area electrode, while gyroid electrodes showed the best trade-off between gas coverage, particularly at the separator surface, and electrochemically active area. In conclusion, the results highlight the need for holistic electrode design strategies.

Alkaline↗
DOE OSTI2024

A compact stem-loop DNA aptamer targets a uracil-binding pocket in the SARS-CoV-2 nucleocapsid RNA-binding domain

Abstract SARS-CoV-2 nucleocapsid (N) protein is a structural component of the virus with essential roles in the replication and packaging of the viral RNA genome. The N protein is also an important target of COVID-19 antigen tests and a promising vaccine candidate along with the spike protein. Here, we report a compact stem-loop DNA aptamer that binds tightly to the N-terminal RNA-binding domain of SARS-CoV-2 N protein. Crystallographic analysis shows that a hexanucleotide DNA motif (5′-TCGGAT-3′) of the aptamer fits into a positively charged concave surface of N-NTD and engages essential RNA-binding residues including Tyr109, which mediates a sequence-specific interaction in a uracil-binding pocket. Avid binding of the DNA aptamer allows isolation and sensitive detection of full-length N protein from crude cell lysates, demonstrating its selectivity and utility in biochemical applications. We further designed a chemically modified DNA aptamer and used it as a probe to examine the interaction of N-NTD with various RNA motifs, which revealed a strong preference for uridine-rich sequences. Our studies provide a high-affinity chemical probe for the SARS-CoV-2 N protein RNA-binding domain, which may be useful for diagnostic applications and investigating novel antiviral agents.

Biochemistry & Molecular Biology↗
DOE OSTI2022

Dynamical phase transitions in the collisionless pre-thermal states of isolated quantum systems: theory and experiments

Abstract We overview the concept of dynamical phase transitions (DPTs) in isolated quantum systems quenched out of equilibrium. We focus on non-equilibrium transitions characterized by an order parameter, which features qualitatively distinct temporal behavior on the two sides of a certain dynamical critical point. DPTs are currently mostly understood as long-lived prethermal phenomena in a regime where inelastic collisions are incapable to thermalize the system. The latter enables the dynamics to substain phases that explicitly break detailed balance and therefore cannot be encompassed by traditional thermodynamics. Our presentation covers both cold atoms as well as condensed matter systems. We revisit a broad plethora of platforms exhibiting pre-thermal DPTs, which become theoretically tractable in a certain limit, such as for a large number of particles, large number of order parameter components, or large spatial dimension. The systems we explore include, among others, quantum magnets with collective interactions, ϕ 4 quantum field theories, and Fermi–Hubbard models. A section dedicated to experimental explorations of DPTs in condensed matter and AMO systems connects this large variety of theoretical models.

Physics↗