Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Aurora”

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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Synergy and antagonism in a genome-scale model of metabolic hijacking by bacteriophages

Bacteriophage auxiliary metabolic genes (AMGs) alter host metabolism by hijacking reactions, but previous studies mostly inferred their roles from annotations, ignoring system-wide impacts and phage production. Here we integrate AMGs and phage assembly into a genome-scale metabolic model of Prochloroccocus marinus MED4 infected by P-HM2. We show that 17 directly hijacked reactions substantially affect more than 30% of the reactions in MED4 metabolism, including carbon fixation, photosynthesis, and nucleotide synthesis, distinguishing these AMGs as either phage aligned—shifting feasible reaction velocities in accordance with maximal phage production—or phage antialigned. Pareto optimization reveals that phage-aligned reactions alter phage-host growth trade-offs, while phage-antialigned reactions do not. We experimentally validate our predictions of system-level AMG impacts by measuring the N-dependent effect of P-HM2 cp12 expression on growth in a model relative of the genetically intractable MED4, Synechococcus elongatus. We also show that AMGs’ indirect impacts are synergistically and antagonistically coupled, providing systems-level insight into AMG perturbations and highlighting how nontrivial cascading effects shape host metabolism.

Rozum, Jordan C. [Pacific Northwest National Labor↗
DOE OSTI2025

The 22Ne($$\alpha $$,n)25Mg reaction - state of the art, astrophysics, and perspectives

Abstract One of the most important stellar neutron sources is the 22 Ne( $$\alpha ,n$$ α , n ) 25 Mg reaction, which gets activated both during the helium intershell burning in asymptotic giant branch stars and in core helium and shell carbon burning in massive stars. The 22 Ne( $$\alpha ,n$$ α , n ) 25 Mg reaction serves as the main neutron producer for the weak s -process and provides a short but strong neutron exposure during the helium flash phase of the main s -process, significantly affecting the abundances at the s -process branch points. The cross section needs to be known at very low energies, as close as possible to the neutron threshold at $$E_\alpha =$$ E α = 562 keV ( Q = −478 keV), but both direct and indirect measurements have turned out to be very challenging, leading to significant uncertainties. Here we discuss the current status of the reaction, including recent and upcoming measurements, and provide a discussion on the astrophysical implications as well as an outlook into the near future.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

The Trojan Horse Method: A Nuclear Physics Tool for Astrophysics

The Trojan Horse Method (THM) represents an indirect path to determine the bare nucleus astrophysical S-factor for reactions among charged particles at astrophysical energies. This is achieved by measuring the quasi-free cross section of a suitable three-body process. The method is also suited to study neutron-induced reactions, especially in the case of radioactive ion beams. A comprehensive review of the theoretical as well as experimental features behind the THM is presented here. An overview is given of some recent applications to demonstrate the method's practical use for reactions that have a great impact on selected astrophysical scenarios.

Physics↗
DOE OSTI2025

A Roadmap for the Future of Systems Biology in Cancer Research

Cancer systems biology seeks to understand how cancer arises as a system of interconnected molecules, cells, and tissues, with the goal of understanding, predicting, and controlling the disease. In the last decade, the field has rapidly grown as advances in experimental, computational, and analytic technologies have improved our ability to capture and recapitulate the complexities of cancer at multiple scales. However, the field’s promise to understand how specific molecular changes give rise to altered cancer outcomes remains incompletely fulfilled. Fortunately, an opportunity exists to accelerate progress by better coordinating modeling and data-gathering efforts across the cancer systems biology community. This will create the foundation for building accurate, multiscale cancer models that can better predict and identify improved therapeutic interventions. Here, in this study, we outline some of the current challenges in cancer systems biology research, how they can be addressed, and actions that the community can take to accelerate progress in the field.

Modeling & Simulation↗
DOE OSTI2024

Atacama Large Aperture Submillimeter Telescope (AtLAST) science: Resolving the hot and ionized Universe through the Sunyaev-Zeldovich effect

An omnipresent feature of the multi-phase “cosmic web” — the large-scale filamentary backbone of the Universe — is that warm/hot (≳ 10 5 K) ionized gas pervades it. This gas constitutes a relevant contribution to the overall universal matter budget across multiple scales, from the several tens of Mpc-scale intergalactic filaments, to the Mpc intracluster medium (ICM), all the way down to the circumgalactic medium (CGM) surrounding individual galaxies, on scales from ~ 1 kpc up to their respective virial radii (~ 100 kpc). The study of the hot baryonic component of cosmic matter density represents a powerful means for constraining the intertwined evolution of galactic populations and large-scale cosmological structures, for tracing the matter assembly in the Universe and its thermal history. To this end, the Sunyaev-Zeldovich (SZ) effect provides the ideal observational tool for measurements out to the beginnings of structure formation. The SZ effect is caused by the scattering of the photons from the cosmic microwave background off the hot electrons embedded within cosmic structures, and provides a redshift-independent perspective on the thermal and kinematic properties of the warm/hot gas. Still, current and next-generation (sub)millimeter facilities have been providing only a partial view of the SZ Universe due to any combination of: limited angular resolution, spectral coverage, field of view, spatial dynamic range, sensitivity, or all of the above. In this paper, we motivate the development of a wide-field, broad-band, multi-chroic continuum instrument for the Atacama Large Aperture Submillimeter Telescope (AtLAST) by identifying the scientific drivers that will deepen our understanding of the complex thermal evolution of cosmic structures. On a technical side, this will necessarily require efficient multi-wavelength mapping of the SZ signal with an unprecedented spatial dynamic range (from arcsecond to degree scales) and we employ detailed theoretical forecasts to determine the key instrumental constraints for achieving our goals.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Effects of rhodium doping on dislocation nucleation in a [001] SrNi 2 P 2 single crystal under spherical nanoindentation

Nanoindentation was performed on SrNi 2 P 2 single crystals and their dilute solid solutions, Sr(Ni 1–x Rh x ) 2 P 2 (x = 0 ~ 0.055), under [001] loading to investigate the effects of elemental doping on Young’s modulus and dislocation nucleation stress. The results show that Young’s modulus and the dislocation nucleation stress decrease as the Rh content increases, and their Rh content dependence also varies with the Rh content. Electron diffraction analysis and the anisotropic lattice distortion calculations revealed that a local structural transition from the orthorhombic superstructure to the tetragonal structure and local compressive residual stresses could be the main reasons for the decrease in Young’s modulus and dislocation nucleation stress, respectively. The overlap of stress–strain fields between Rh atoms and the associated local structural transition contribute to their Rh content dependence. Here, the results also indicate that elemental doping does not necessarily strengthen materials if the incipient plasticity is controlled by dislocation nucleation, unlike conventional solid solution strengthening.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Magnetic contributions to corundum-eskolaite and corundum-hematite phase equilibria: A DFT cluster expansion study

Magnetic contributions have the potential to significantly influence predicted phase stability within alloy and mineral mixing phase diagrams, yet have been historically challenging to incorporate due to a significant increase to phase space sampling. Here, in this work, we employ a computational protocol that includes spin orientation as an additional configurational component within multi-component cluster expansions between magnetic and non-magnetic metal oxide alloys [calculated using density functional theory (DFT) and the generalized gradient approximation]. This approach was used to determine the effect of magnetic contributions to corundum-eskolaite and corundum-hematite phase equilibria from first principles. Two-component cluster expansions of the magnetic components of eskolaite and hematite were first performed showing the ability of this method to properly calculate their respective magnetic properties. Two-component cluster expansions were then performed for non-magnetic Al(III) and ferromagnetic Cr(III) and Fe(III), and phase diagrams were calculated for later comparison. Finally, a non-magnetic Al(III) and “up” and “down” magnetic configurations for anti-ferromagnetic Cr(III) and Fe(III) were performed. Magnetic contributions to the calculated phase diagram for the corundumeskolaite system were shown to be inconsequential but are vital for accurate determination of the corundum-hematite solvus.

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

Zero modes and matching for the twist-3 PDFs

The quasi-PDF approach, proposed by X. Ji in 2013, has made it possible to directly extract light-cone PDFs from lattice QCD. This approach relies on the extraction of matrix elements of space-like operators for fast-moving hadrons. Quasi-PDFs can be related to the light-cone PDFs through a perturbatively calculable matching coefficient. We explore the formalism of matching, for the very first time, for the twist-3 PDFs g_{T}(x) g T ( x ) , e(x) e ( x ) and h_{L}(x) h L ( x ) . In this work, we address the non-trivialities involved in the extraction of the matching coefficient due to the presence of (singular) zero-mode contributions.

Bhattacharya, Shohini↗
DOE OSTI2022

Twist-3 partonic distributions from lattice QCD

Twist-3 partonic distributions contain important information that characterizes nucleon’s structure. In this work, we show our lattice exploration of the twist-3 PDFs g_T(x) g T ( x ) , and h_L(x) h L ( x ) . We also present our preliminary results on the twist-3 GPD \tilde{G}_2(x) G ̃ 2 ( x ) . We use the quasi-distribution approach to connect the lattice-extracted matrix elements, renormalized in the RI/MOM scheme, to light-cone distributions, applying the matching procedure that we developed in parallel. We also calculate the twist-2 counterparts of g_T(x) g T ( x ) and h_L(x) h L ( x ) , i.e. g_1(x) g 1 ( x ) , and h_1(x) h 1 ( x ) , and test the Wandzura-Wilczek approximation.

Bhattacharya, Shohini↗
DOE OSTI2025

Closing the loop: model-predictive control for a closed-circuit reverse osmosis system

This article presents a model-predictive controller (MPC) for the maximization of the energy efficiency of a closed-circuit desalination reverse osmosis (CCRO) system. CCRO is a process for producing drinking water that is based on a cyclic operation with the following two phases: (a) filtration and (b) drain. In this article, we test model predictive control for optimal control of this process. The most important features of our approach are as follows: (a) the selection of a model structure that enables reliable forecasts of the filtration phase (up to 3 h), (b) an on-line model calibration strategy that ensures model forecast reliability, and (c) the satisfaction of equipment safety and operational constraints on the selected setpoints. We challenge this through deliberate introduction of changes in the unmeasured feed concentration and the applied constraints. Our results indicate that frequent model parameter updates are critical to maintain model reliability for MPC purposes. In addition, we illustrate that parameter identifiability is not guaranteed and that deliberate variation in flow rates is necessary even though the process never operates in steady state. Finally, MPC can compute flow rate setpoints that maximize the energy efficiency of the CCRO process while satisfying the applicable equipment and safety constraints.

closed-circuit reverse osmosis↗
DOE OSTI2021

Development of Approaches to Model Excited State Charge and Energy Transfer in Solution

The development of next generation energy conversion and catalytic systems requires fundamental understanding of the interplay between photo-excitation and the resulting proton and electron transfer processes that occur in solution. To address these challenges requires accurate and efficient methods to compute ground and excited states, as well as the ability to treat the dynamics of energy transfer in the presence of solvent fluctuations. Our team is developing accurate and efficient theoretical models for solution phase reactions. These developments provide an improved understanding of photo-initiated excitations, electron transfer, and proton coupled electron transfer processes. Our research team brings together expertise in electron and nuclear dynamics (classical and quantum), electronic structure, and analysis of solvation networks. We are developing and validating techniques for modeling condensed phase charge and energy transfer and to simulate the methods to monitor them using optical and vibrational spectroscopy.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Innovative Separations Research and Development Needs for Advanced Fuel Cycles

Deployment of advanced nuclear reactors will inevitably introduce new challenges for devising and implementing an efficient, safe, and economical nuclear fuel cycle that meets society’s need for clean energy and expectations for environmental stewardship. The growing urgency for decarbonizing the US and global economies makes such technological challenges all the more compelling. The Office of Materials and Chemical Technologies within US Department of Energy’s Office of Nuclear Energy stewards the capabilities and knowledge relied upon by government policy makers to make informed decisions regarding nuclear fuel cycle options. Such decisions in turn rely on the development of efficient and economical separation methods that can accept the used nuclear fuel containing actinides and fission products (FPs) to recycle selected actinides, recover valuable by-products, and deliver waste streams that are suitable for disposal. To help guide the future direction of fuel cycle separations research, taking into account emerging technologies, the Office of Materials and Chemical Technologies sponsored the Innovative Separations R&D Needs for Advanced Fuel Cycles workshop, held virtually August 30–September 1, 2021. Based upon 60 contributed white papers, 6 plenary lectures, and 3 days of discussions, the outcome of the workshop and subsequent deliberations was the generation of this report identifying seven future research directions (FRDs) plus three crosscutting areas of research.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Aerosol Manufacturing Technology to Produce Low-Cobalt Li-ion Battery Cathodes

Although considerable progress has been made with battery materials over the last 10 years, the cathode remains a major performance-limiting material in Li-ion battery (LIB) technology. New materials and battery chemistries will overcome some of the remaining challenges, but cathode materials must also be manufactured at a lower cost and with a smaller environmental footprint using new processes that can also enable improved control over stoichiometry, morphology, and compositional homogeneity. Cabot, Argonne National Laboratory and SAFT research teams are combining their extensive expertise in particle synthesis, battery materials and cell design to develop a low-cost, flexible aerosol manufacturing technology for production of high-performance cathode active materials (CAM). This project will develop low-Co CAMs via Reactive Spray Technology (RST) and Flame Spray Pyrolysis (FSP) to reach performance targets of < 50 mg Cobalt/Wh.

25 ENERGY STORAGE↗
DOE OSTI2024

Improved Methods for Modeling Functional Transition Metal Compounds in Complex Environments: Ground States, Excited States, and Spectroscopies

Rapid advances in energy applications require new theory and computational models to provide guidance for interpretation of experimental results and mechanistic understanding. New theory development is necessary to treat systems of increasing complexity, size, and relevance to real applications. Functional transition metal compounds, including molecules, clusters, nanoparticles, surfaces, and solids, provide particular promise for magnetic, optical, and catalytic applications. However, such systems can be exceptionally challenging to model. To make progress in understanding and designing transition metal compounds for energy applications, theory must be able to simulate such systems in complex environments, as well as simulate the spectra of such complex systems to provide direct connections with experiment. Leveraging the independent expertise of the team’s members, this project aimed to make inroads to the theoretical and computational challenges associated with studying transition metal compounds, their reaction chemistry, photophysics and photochemistry, and response to spectroscopic interrogation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Bespoke Liquid/Liquid Interfaces (Final Technical Report)

The goal of DE-SC0001815 was to advance the basic science of liquid:liquid interface formation, to develop a deeper understanding of the mechanisms of phase separation and the essential relationships between solution composition, organization and dynamics that underlie the kinetic regime of solvent extraction. This included learning how interfacial organization and dynamics alters the properties of the primary coordination sphere of ions and the free energy of transport of ions complexes across a phase boundary. We relied primarily upon classical molecular dynamics studies to determine the equilibrium ensembles of these complex systems, but also utilized ab-initio MD and cluster-based density functional theory (DFT) calculations when more detailed investigation of the electronic structure was needed. We continued development of graph-theory based analyses to elucidate hierarchical correlations and expanded into geometric topology methods to quantify the collectively organized structures that can organize at a liquid/liquid interface during solute transport. One of the main conclusions was from the observation of two distinct mechanisms for solute transport - those that derive from amplifications of interfacial heterogeneity and surface roughness, and those wherein surface roughness has been dampened and instead collectively organized macrostructures work to bring solutes into the organic phase. It was our aim to create a concrete chemical model of the underlying driving forces behind interfacial primary and secondary structure formation and to map out the energetic features of solute transport so that tailored liquid/liquid can be developed that have characteristic kinetic features associated with mass transport.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

The 22 Ne(α,n) 25 Mg reaction - state of the art, astrophysics, and perspectives

One of the most important stellar neutron sources is the 22 Ne(α,n) 25 Mg reaction, which gets activated both during the helium intershell burning in asymptotic giant branch stars and in core helium and shell carbon burning in massive stars. The 22 Ne(α,n) 25 Mg reaction serves as the main neutron producer for the weak s-process and provides a short but strong neutron exposure during the helium flash phase of the main s-process, significantly affecting the abundances at the s-process branch points. The cross section needs to be known at very low energies, as close as possible to the neutron threshold at E α = 562 keV (Q = −478 keV), but both direct and indirect measurements have turned out to be very challenging, leading to significant uncertainties. Here we discuss the current status of the reaction, including recent and upcoming measurements, and provide a discussion on the astrophysical implications as well as an outlook into the near future.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Design and test of a special magnet for the Mu2e experiment

The Mu2e experiment (Muon-to-Electron Conversion Experiment) is looking for evidence that a muon can change into an electron without the emission of neutrinos. The experiment will search for the charged-lepton flavor violating (CLFV) neutrino-less conversion of a negative muon into an electron in the field of a nucleus. The conversion process results in a monochromatic electron with an energy of 104.97 MeV, slightly below the muon rest mass. The goal of the experiment is to improve the previous upper limit by four orders of magnitude and reach a SES (single event sensitivity) of 3 × 10 -17 on the conversion rate, a 90% CL of 8 × 10 -17 , and a 5σ discovery reach at 2 × 10 -16 . The experiment will use an intense pulsed negative muon beam, which is essential to reducing backgrounds. The other essential element is a sophisticated magnetic system composed of three consecutive solenoids (figure 1) that form the muon beam.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Report on the 35th Annual Workshop on Recent Developments in Electronic Structure Theory

The 35th Annual Workshop on Recent Developments in Electronic Structure Theory was held June 13 – 16, 2023 at the University of California, Merced, a minority-serving institution with R2 status. This workshop series travels to a different institution within the US each year, and this was the first time it was held in the underserved Central Valley of California. The Local Organizers collected suggestions from the international steering committee to put together a list of topics representing recent major developments in the field and speakers.

36 MATERIALS SCIENCE↗