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The ACE library based on the neutron-induced ENDF/B-VIII.1 sub-library, Lib81, was released in September 2025. This memorandum documents the release of 80 errata files for the Lib81 library, which fix a problem in the neutron capture γ-ray energy distributions. This Lib81 erratum does not correspond to an ENDF/B library erratum.
Current strategies for net-zero buildings favor envelopes with minimized aperture ratios and limiting of solar gains through reduced glazing transmittance and emissivity. This load-reduction approach precludes strategies that maximize on-site collection of solar energy, which could increase opportunities for net-zero electricity projects. To better leverage solar resources, a whole-building strategy is proposed, referred to as “Quality-Matched Energy Flows” (or Q-MEF): capturing, transforming, buffering, and transferring irradiance on a building’s envelope—and energy derived from it—into distributed end-uses. A mid-scale commercial building was modeled in three climates with a novel Building-Integrated, Transparent, Concentrating Photovoltaic and Thermal fenestration technology (BITCoPT), thermal storage and circulation at three temperature ranges, adsorption chillers, and auxiliary heat pumps. BITCoPT generated electricity and collected thermal energy at high efficiencies while transmitting diffuse light and mitigating excess gains and illuminance. The balance of systems satisfied cooling and heating demands. Relative to baselines with similar glazing ratios, net electricity use decreased 71% in a continental climate and 100% or more in hot-arid and subtropical-moderate climates. Total EUI decreased 35%, 83%, and 52%, and peak purchased electrical demands decreased up to 6%, 32%, and 20%, respectively (with no provisions for on-site electrical storage). Decreases in utility services costs were also noted. These results suggest that with further development of electrification the Q-MEF strategy could contribute to energy-positive behavior for projects with similar typology and climate profiles.
The solar power satellite (SPS) concept defined as 'placing gigantic satellites in geosynchronous orbit to capture sunlight, changing the energy into an appropriate form for transmission to Earth, and introducing the energy into the electric power grid' is evaluated in terms of costs and benefits. The concept development and evaluation program is reviewed in four general areas: systems definition; environmental; societal; and comparative assessments. Specific factors addressed include: transportation, construction in space, methods of conversion of sunlight into energy, transmission to Earth, maintenance in orbit and decommissioning of satellites; environmental, political, and economic effects; and comparison of SPS to other forms of power generation, both terrestrial and in space.
Our objective is to help explain how the earliest ancestors of contemporary cells (protocells) performed their essential functions employing only the molecules available in the protobiological milieu. Our hypothesis is that vesicles, built of amphiphilic, membrane-forming materials, emerged early in protobiological evolution and served as precursors to protocells. We further assume that the cellular functions associated with contemporary membranes, such as capturing and, transducing of energy, signaling, or sequestering organic molecules and ions, evolved in these membrane environments. An alternative hypothesis is that these functions evolved in different environments and were incorporated into membrane-bound structures at some later stage of evolution. We focus on the application of the fundamental principles of physics and chemistry to determine how they apply to the formation of a primitive, functional cell. Rather than attempting to develop specific models for cellular functions and to identify the origin of the molecules which perform these functions, our goal is to define the structural and energetic conditions that any successful model must fulfill, therefore providing physico-chemical boundaries for these models. We do this by carrying out large-scale, molecular level computer simulations on systems of interest.
New numerical simulations of the formation of the giant planets are presented, in which for the first time both the gas and planetesimal accretion rates are calculated in a self-consistent, interactive fashion. The simulations combine three elements: 1) three-body accretion cross-sections of solids onto an isolated planetary embryo, 2) a stellar evolution code for the planet's gaseous envelope, and 3) a planetesimal dissolution code within the envelope, used to evaluate the planet's effective capture radius and the energy deposition profile of accreted material. Major assumptions include: The planet is embedded in a disk of gas and small planetesimals with locally uniform initial surface mass density, and planetesimals are not allowed to migrate into or out of the planet's feeding zone. All simulations are characterized by three major phases. During the first phase, the planet's mass consists primarily of solid material. The planetesimal accretion rate, which dominates that of gas, rapidly increases owing to runaway accretion, then decreases as the planet's feeding zone is depleted. During the second phase, both solid and gas accretion rates are small and nearly independent of time. The third phase, marked by runaway gas accretion, starts when the solid and gas masses are about equal. It is engendered by a strong positive feedback on the gas accretion rates, driven by the rapid contraction of the gaseous envelope and the rapid expansion of the outer boundary, which depends on the planet's total mass. The overall evolutionary time scale is generally determined by the length of the second phase. The actual rates at which the giant planets accreted small planetesimals is probably intermediate between the constant rates assumed in most previous studies and the highly variable rates that we have used. Within the context, of the adopted model of planetesimal accretion, the joint constraints of the time scale for dissipation of the solar nebula and the current high-Z masses of the giant planets lead to estimates of the initial surface density (sigma(sub init)) of planetesimals in the outer region of the solar nebula. The results show sigma(sub init) approx. = 10 g/sq cm near Jupiter's orbit and that sigma(sub init) proportional to alpha(sup -2), where alpha is the distance from the Sun. These values are a factor of 3 - 4 times as high as that of the "minimum mass" solar nebula at Jupiter's distance and a factor of 2 - 3 times as high it Saturn's distance. Our estimates for the formation time of Jupiter and Saturn are 1 - 10 million years while those for Uranus fall in the range of 2 - 16 million years. These estimates follow from the properties of our Solar System and do not necessarily apply to giant planets in other planetary systems.
How simple membrane peptides performed such essential proto-cellular functions as transport of ions and organic matter across membranes separating the interior of the cell from the environment, capture and utilization of energy, and transduction of environmental signals, is a key question in protobiological evolution. On the basis of detailed, molecular-level computer simulations we investigate how these peptides insert into membranes, self-assemble into higher-order structures and acquire functions. We have studied the insertion of an a-helical peptide containing leucine (L) and serine (S) of the form (LSLLLSL)S into a model membrane. The transmembrane state is metastable, and approximately 15 kcal/mol is required to insert the peptide into the membrane. Investigations of dimers formed by (LSLLLSL)S and glycophorin A demonstrate how the favorable free energy of helix association can offset the unfavorable free energy of insertion, leading to self- assembly of peptide helices in the membrane. An example of a self-assembled structure is the tetrameric transmembrane pore of the influenza virus M2 protein, which is an efficient and selective voltage-gated proton channel. Our simulations explain the gating mechanism and provide guidelines how to reengineering the channel to act as a simple proton pump. In general, emergence of integral membrane proteins appears to be quite feasible and may be easier to envision than the emergence of water-soluble proteins.
In the absence of extinct or extant record of protocells (the earliest ancestors of contemporary cells). the most direct way to test our understanding of the origin of cellular life is to construct laboratory models of protocells. Such efforts are currently underway in the NASA Astrobiology Program. They are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures and developing designs for molecules that perform proto-cellular functions. Many of these functions, such as import of nutrients, capture and storage of energy. and response to changes in the environment are carried out by proteins bound to membrane< We will discuss a series of large-scale, molecular-level computer simulations which demonstrate (a) how small proteins (peptides) organize themselves into ordered structures at water-membrane interfaces and insert into membranes, (b) how these peptides aggregate to form membrane-spanning structures (eg. channels), and (c) by what mechanisms such aggregates perform essential proto-cellular functions, such as proton transport of protons across cell walls, a key step in cellular bioenergetics. The simulations were performed using the molecular dynamics method, in which Newton's equations of motion for each item in the system are solved iteratively. The problems of interest required simulations on multi-nanosecond time scales, which corresponded to 10(exp 6)-10(exp 8) time steps.
How simple membrane peptides performed such essential protocellular functions as transport of ions and organic matter across membranes separating the interior of the cell from the environment, capture and utilization of energy, and transduction of environmental signals, is a key question in protobiological evolution. On the basis of detailed, molecular-level computer simulations we explain how these peptides fold at water-membrane interfaces, insert into membranes, self-assemble into higher-order structures and acquire functions. We have investigated the interfacial behavior and folding of several peptides built of leucine and glutamine residues and have demonstrated that many of them tend to adopt ordered structures. Further, we have studied the insertion of an alpha-helical peptide containing leucine (L) and serine (S) of the form (LSLLLSL)3 into a model membrane. The transmembrane state is metastable, and approximately 15 kcal mol(-1) is required to insert the peptide into the membrane. Investigations of dimers formed by (LSLLLSL)3 and glycophorin A demonstrate how the favorable free energy of helix association can offset the unfavorable free energy of insertion, leading to self-assembly of peptide helices in the membrane. An example of a self-assembled structure is the tetrameric transmembrane pore of the influenza virus M2 protein, which is an efficient and selective voltage-gated proton channel. Our simulations explain the gating mechanism and provide guidelines how to re-engineer the channel to act as a simple proton pump. In general, emergence of integral membrane proteins appears to be quite feasible and may be easier to envision than the emergence of water-soluble proteins.
A reduced-order model of a flapping airfoil is developed using Proper Orthogonal Decomposition (POD). The proper basis functions, developed from snapshots of full Navier-Stokes simulations, are used for a Galerkin projection of the governing equations. The resulting coupled, nonlinear ordinary di.erential equations have a low dimension because the first few basis members capture most of the energy of the flow. The reduced-order model is used to simulate heaving motions that are both similar to and different from the motion(s) used to generate the basis functions, and the errors in the model are quantified. Several methods are used to generate mode sets that can be used over a range of heaving parameters, including snapshots from one, two, and multiple Navier-Stokes simulations. As snapshots from additional simulations are added to the decomposition, the mode sets become richer and can simulate a wider range of parameter space, at some computational cost. Whereas the POD method is fully applicable in three dimensions, the simulation technique based on a body-fixed and body-fitted grid suffers large overhead when extended to three dimensions. To reduce the overhead, an embedding technique is discussed which embeds the solid wing into a fixed Cartesian grid. The wing, which can now have multiple pieces and also be flexible, is represented by a distribution of body forces. This distribution is determined to give exactly the flow around a flapping wing.
Accurate estimates of electron-capture cross sections at energies relevant to energetic neutral atom (ENA) modeling (approx few MeV per nucleon) and for multi-electron ions must rely on first-principles approaches and/or detailed quantum-mechanical simulation of the collision process. Kuang's semi-classical approach offers a middle-ground, elegant and efficient way to arrive at these estimates. We shall present a sample application and current progress in applying and extending Kuang's formalism to ENA modeling.
Accurate estimates of electron-capture cross sections at energies relevant to ENA modeling (approx. few MeV per nucleon) and for multi-electron ions must rely on detailed, but computationally expensive, quantummechanical description of the collision process. Kuang's semi-classical approach is an elegant and efficient way to arrive at these estimates. Motivated by ENA modeling efforts, we shall briefly present this approach along with sample applications and report on current progress.
Historically, time-of-flight (TOF) nuclear cross section measurements on different nuclides are assumed to be uncorrelated if they were recorded in different facilities with identical methods, identical facilities with different methods, and even identical facilities with identical methods. Ideally, measurements of different nuclides would truly be uncorrelated thus providing independent assessments of some cross section. In reality, correlations exist between measurements but are simply assumed to be unimportant. To eliminate these qualitative assumptions, in this paper we make a counter-intuitive suggestion to perform an intentionally correlated measurement of energy-differential fission and capture reactions for nuclides in a single criticality safety benchmark during a single experimental campaign. While this would introduce undesirable correlations, it would fully quantify correlations between datasets, rather than assume that the correlations do not exist.
Particle physicists aim to discover what the universe is made of and how it works. They study the smallest building blocks of matter using some of the largest and most complex machines in the world. Fermilab hosts a range of cutting-edge experiments and develops and builds technologies that support particle physics research at locations around the world, including deep underground laboratories in South Dakota and Canada, the Large Hadron Collider in Europe, and the South Pole Telescope. Together with our international partners, we expand humankind’s understanding of matter, energy, space and time, capturing imaginations and inspiring future generations.
In the low-energy range there are two possible physical mechanisms for γ-ray emissions. While both mechanisms emit γ-rays, the compound radiative capture (CRC) process is generated by the formation of a compound nucleus state before γ-emission. CRC has a characteristic resonance structure in the cross section, The direct radiative capture (DRC) process goes to the final state by the electromagnetic radiation of the incident neutron. DRC has a smooth behavior in the cross section. For light nuclei, a non-negligible component of the neutron capture process can be often associated to DRC process. Although these two mechanisms should be described by a unified theoretical formalism, in the nuclear data libraries, the CRC and DRC components are evaluated and reported separately. The updated R-matrix algorithm will allow the ability to implicitly include correlations between CRC and DRC mechanisms, to improve the quality of nuclear data evaluations, and to facilitate simple large-scale applicability to current nuclear data evaluations.
Traditional entropy-based methods—such as cross-entropy loss in classification problems—have long been essential tools for representing the information uncertainty and physical disorder in data and for developing artificial intelligence algorithms. However, the rapid growth of data across various domains has introduced new challenges, particularly the integration of heterogeneous datasets with intrinsic disparities. To address this, we introduce a zentropy-enhanced neural network (ZENN), extending zentropy theory into the data science domain via intrinsic entropy, enabling more effective learning from heterogeneous data sources. ZENN simultaneously learns both energy and intrinsic entropy components, capturing the underlying structure of multisource data. To support this, we redesign the neural network architecture to better reflect the intrinsic properties and variability inherent in diverse datasets. We demonstrate the effectiveness of ZENN on classification tasks and energy landscape reconstructions, showing its superior generalization capabilities and robustness-particularly in predicting high-order derivatives. In image and text classification tasks, ZENN demonstrates superior generalization by introducing a learnable temperature variable that models latent multisource heterogeneity, allowing it to surpass state-of-the-art models on CIFAR-10/100, BBC News, and AG News. As a practical application in materials science, we employ ZENN to reconstruct the Helmholtz energy landscape of Fe3Pt using data generated from density functional theory and capture key material behaviors, including negative thermal expansion and the critical point in the temperature–pressure space. Overall, this work presents a zentropy-grounded framework for data-driven machine learning, positioning ZENN as a versatile and robust approach for scientific problems involving complex, heterogeneous datasets.
An essential line of worldwide research towards a sustainable energy future is the materials and processes for carbon dioxide capture and storage. Energy from fossil fuels combustion always generates carbon dioxide, leading to a considerable environmental concern with the values of CO2 produced in the world. The increase in emissions leads to a significant challenge in reducing the quantity of this gas in the atmosphere. Many research areas are involved solving this problem, such as process engineering, materials science, chemistry, waste management, and politics and public engagement. To decrease this problem, green and efficient solutions have been extensively studied, such as Carbon Capture Utilization and Storage (CCUS) processes. In 2015, the Paris Agreement was established, wherein the global temperature increase limit of 1.5 °C above pre-industrial levels was defined as maximum. To achieve this goal, a global balance between anthropogenic emissions and capture of greenhouse gases in the second half of the 21st century is imperative, i.e., net-zero emissions. Several projects and strategies have been implemented in the existing systems and facilities for greenhouse gas reduction, and new processes have been studied. This review starts with the current data of CO2 emissions to understand the need for drastic reduction. After that, the study reviews the recent progress of CCUS facilities and the implementation of climate-positive solutions, such as Bioenergy with Carbon Capture and Storage and Direct Air Capture. Future changes in industrial processes are also discussed.
Photosynthetic algal cultivation has been intensively studied for CO 2 capture and utilization for several decades. The footprint for using algae to capture CO 2 emitted from carbon-intensive industrial processes (power plants, cement plants, and fermentation processes) is extremely large, which creates serious technical and economic hurdles that must be cleared if algal technologies are to be commercially implemented. Fortunately, algal biomass is rich in proteins, carbohydrates, and lipids, providing a good chemical source for organic absorbents and other value-added chemical feedstocks. In particular, amino acids from algal protein can be used to generate amino acid salt solutions that have been proven to be effective for capturing CO 2 . In order to take advantage of both algal cultivation and biomass utilization, the goal of the proposed project is to develop a combined biological and chemical system for coal-fired power plants for sequestering CO 2 in biological absorbents and generating value-added products. This approach significantly reduces the land and energy footprint of CO 2 capture, and minimizes capital and operational expenses. Three specific objectives are targeted: 1) optimizing the growth of the selected algal strain to maximize biomass accumulation from the coal-fired flue gas; 2) developing a cascade biomass utilization to produce amino acid absorbents, polyurethanes, biodiesel, and methane; and 3) conducting techno-economic analysis (TEA) and life cycle assessment (LCA) of the proposed process. Three key technical outcomes were achieved: (1) With the selected robust algal strain and unique photobioreactor design, long-term culture stability can be extended, and algal biomass productivity reached 0.5 g dry biomass/L/day year-round at a biomass concentration of 1.2 g/L in the pilot photobioreactor; (2) The biomass utilization process led to complete utilization of the algal biomass to produce amino acid salt absorbent, polyurethanes, and methane; and (3) The combined biological and chemical flue gas utilization process concluded a technically and economically feasible commercial-scale system that completely captures CO 2 in coal-fired flue gas with greatly reduced energy consumption.
This work presents a three-dimensional (3D) thermomechanical model of a prototype-scale enclosed light trapping solar receiver for heating particles. Results of the thermoelastic model are used to estimate receiver lifetime under maximum flux conditions. A computational fluid dynamics (CFD) model is first developed to predict the temperature fields in a multi-panel assembly under steady operating conditions. Solar flux distributions on the receiver are obtained from the software package SolTrace and applied to the 3D thermal model. The subsequent particle heating is captured through a simplified 1D energy balance. Panel reradiation is considered through a surface-to-surface radiation model and natural convection loss to the surrounding air is captured in a representative fluid domain surrounding the receiver. The resulting temperature fields from the CFD analysis are used as inputs for a thermoelastic mechanical model with representative boundary conditions. With the resultant temperature and stress fields, a creep-fatigue damage and lifetime analysis is performed using the linear damage accumulation (LDA) theory. The Manson-Coffin formula and Larson Miller correlation are used to calculate the fatigue and creep, respectively. A maximum damage (corresponding to a 30-year service life) is defined for design assessment. The model was first developed and verified in detail by comparing with published results in the literature (temperature and stress profiles and distributions, and creep/fatigue damage fractions) for tubular solar receivers with supercritical carbon dioxide as the working fluid. It was then implemented to model a planar-cavity receiver with various design parameters. Specifically, three different design geometries are considered, and the results show that a maximum temperature of approximately 1200 K could be reached for each design with the given incident solar flux, with the main difference being the distribution of these temperatures. Preliminary resulting stresses for the small-scale prototype without design optimization vary from 20 MPa to 250 MPa for each design, with the maximum stresses occurring on the front face and concave geometry on the side of the panel. In future work, the developed methodology shown here will be applied to analyze a full-scale (50-150 MWth) receiver.