Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “potential fields”

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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Ambient Single-Cell Analysis and Native Tissue Imaging Using Laser-Ablation Electrospray Ionization Mass Spectrometry with Increased Spatial Resolution

Laser ablation electrospray ionization mass spectrometry (LAESI-MS) is an emerging method that has the potential to transform the field of metabolomics. This is in part due to LAESI-MS being an ambient ionization method that requires minimal sample preparation and uses (endogenous) water for in situ analysis. This application note details the employment of the ‘LAESI microscope’ source to perform spatially resolved MS analysis of cells and MS imaging (MSI) of tissues at high spatial resolution. This source configuration utilizes a long-working distance reflective objective that permits both visualization of the sample and a smaller LAESI laser beam profile than conventional LAESI setups. In this work, we analyzed 200 single cells of Allium cepa (red onion) and imaged Fittonia argyroneura (nerve plant) in high spatial resolution using this source coupled to a Fourier transform mass spectrometer for high mass resolution and high mass accuracy metabolomics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Solid-state laser refrigeration of a composite semiconductor Yb:YLiF 4 optomechanical resonator

Photothermal heating represents a major constraint that limits the performance of many nanoscale optoelectronic and optomechanical devices including nanolasers, quantum optomechanical resonators, and integrated photonic circuits. Here, we demonstrate the direct laser refrigeration of a semiconductor optomechanical resonator >20 K below room temperature based on the emission of upconverted, anti-Stokes photoluminescence of trivalent ytterbium ions doped within a yttrium-lithium-fluoride (YLF) host crystal. Optically-refrigerating the lattice of a dielectric resonator has the potential to impact several fields including scanning probe microscopy, the sensing of weak forces, the measurement of atomic masses, and the development of radiation-balanced solid-state lasers. In addition, optically refrigerated resonators may be used in the future as a promising starting point to perform motional cooling for exploration of quantum effects at mesoscopic length scales, temperature control within integrated photonic devices, and solid-state laser refrigeration of quantum materials.

42 ENGINEERING↗
DOE OSTI2026

Climate change drives convergent evolution of root traits on Sky Island climate relicts

Roots are essential to the strategies plants use to survive in variable environments, yet we know little of how they vary within species. Experimental conditions demonstrate that intraspecific plant root traits respond strongly to variation in the environment; however, it is unclear when these responses can be characterized as evolution in response to selective pressures of climate change over many generations. Sky Islands are model, natural climate relict ecosystems to examine climate-change driven evolution. Utilizing a common garden with replicate genotypes of Populus angustifolia (Narrowleaf cottonwood) from six Sky Island (SI) populations and nine adjacent Mountain Chain (MC) populations across three genetic provenances, we hypothesized that SI root traits have diverged due to historical isolation in warmer, drier climates. When grown in common conditions, populations originating on SI’s showed convergent evolution across three distinct genetic provenances, which was characterized by 44.16% decreased total root length, 42.64% decreased average root volume, 43.31% decreased root surface area, and significantly less root trait variation, relative to adjacent mountain chains. Convergent evolution of root traits from trees originating on SI’s is correlated with changes in mean annual precipitation and potential evapotranspiration in the field over the past ~ 125 years. These results demonstrate a consistent pattern in root trait evolution at the landscape scale and the role of climate on the evolution of root traits in a genetic and geographic context relevant to climate change.

Convergent evolution↗
DOE OSTI2020

Photosynthetic semiconductor biohybrids for solar-driven biocatalysis

Photosynthetic semiconductor biohybrids integrate the best attributes of biological whole-cell catalysts and semiconducting nanomaterials. Enzymatic machinery enveloped in its native cellular environment offers exquisite product selectivity and low substrate activation barriers while semiconducting nanomaterials harvest light energy stably and efficiently. Here, we illustrate the evolution and advances of photosynthetic semiconductor biohybrids focusing on the conversion of CO 2 to value-added chemicals. We begin by considering the potential of this nascent field to meet global energy challenges while comparing it to alternate approaches. This is followed by a discussion of the advantageous coupling of electrotrophic organisms with light-active electrodes for solar-to-chemical conversion. We detail the dynamic investigation of photosensitized microorganisms creating direct light harvesting within unicellular organisms while describing complementary developments in the understanding of charge transfer mechanisms and cytoprotection. Lastly, we focus on trends and improvements needed in photosynthetic semiconductor biohybrids in order to address future challenges and enhance their widespread adoption for the production of solar chemicals.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Top-down proteomics

Proteoforms arising from posttranslational modifications, genetic polymorphisms, and RNA splice variants, play a pivotal role as the key drivers in biology. Thus, a comprehensive understanding of proteoforms is essential for unraveling the intricacies of biological systems and bridging the gap between genotype and phenotype. By analyzing whole proteins without digestion, top-down proteomics (TDP) provides a holistic view of the proteome and presents a next-generation approach for deciphering protein function, uncovering disease mechanisms, and advancing precision medicine. This Primer embarks on a journey into the world of TDP by encapsulating its historical context, underlying principles, recent advances, and an outlook on the future of TDP. The experimental section navigates instrumentation, sample preparation, intact protein separation, tandem mass spectrometry techniques, and data collection. Results decipher raw data, visualize intact protein spectra, unravel data analysis, and explain proteoform identification, characterization, and quantitation, as well as statistical analysis. Various applications of TDP spanning the human proteoform project, biomedical, biopharmaceutical, and clinical applications are described. These are complemented by discussions on measurement reproducibility, limitations, and a forward-looking perspective outlining uncharted waters where the field can advance, and potential exciting future applications of TDP.

Roberts, David S.↗
DOE OSTI2021

Accelerating computational modeling and design of high-entropy alloys

High-entropy alloys, with N elements and compositions {$c_{ν = 1,N}$} in competing crystal structures, have large design spaces for unique chemical and mechanical properties. In this work, to enable computational design, we use a metaheuristic hybrid Cuckoo search (CS) to construct alloy configurational models on the fly that have targeted atomic site and pair probabilities on arbitrary crystal lattices, given by supercell random approximates (SCRAPs) with S sites. Our Hybrid CS permits efficient global solutions for large, discrete combinatorial optimization that scale linearly in a number of parallel processors, and linearly in sites S for SCRAPs. For example, a four-element, 128-site SCRAP is found in seconds—a more than 13,000-fold reduction over current strategies. Our method thus enables computational alloy design that is currently impractical. We qualify the models and showcase application to real alloys with targeted atomic short-range order. Being problem-agnostic, our Hybrid CS offers potential applications in diverse fields.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Metabolite releasing polymers control dendritic cell function by modulating their energy metabolism

Metabolites control immune cell functions, and delivery of these metabolites in a sustained manner may be able to modulate function of the immune cells. In this study, alpha-ketoglutarate (aKG) and diol based polymeric-microparticles (termed paKG MPs) were synthesized to provide sustained release of aKG and promote an immunosuppressive cellular phenotype. Notably, after association with dendritic cells (DCs), paKG MPs modulated the intracellular metabolic-profile/pathways, and decreased glycolysis and mitochondrial respiration in vitro. These metabolic changes resulted in modulation of MHC-II, CD86 expression in DCs, and altered the frequency of regulatory T cells (Tregs), and T-helper type-1/2/17 cells in vitro. In conclusion, this unique strategy of intracellular delivery of key-metabolites in a sustained manner provides a new direction in immunometabolism field-based immunotherapy with potential applications in different diseases associated with immune disorders.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Pathways to fluorescence via restriction of intramolecular motion in substituted tetraphenylethylenes

The design of materials with enhanced luminescence properties is a fast-developing field due to the potential applicability of these materials as light-emitting diodes or for bioimaging. A transparent way to enhance the emission properties of interesting molecular candidates is blocking competing and unproductive non-radiative relaxation pathways by the restriction of intramolecular motions. Rationalized functionalization is an important possibility to achieve such restrictions. Using time-dependent density functional theory (TD-DFT) based on the ωB97XD functional and the semiempirical tight-binding method including long-range corrections (TD-LC-DFTB), this work investigates the effect of functionalization of the paradigmatic tetraphenylethylene (TPE) on achieving restricted access to conical intersections (RACI). Photodynamical surface hopping simulations have been performed on a larger set of compounds including TPE and ten functionalized TPE compounds. Functionalization has been achieved by means of electron-withdrawing groups, bulky groups which block the relaxation channels via steric hindrance and groups capable of forming strong hydrogen bonds, which restrict the motion via the formation of hydrogen bond channels. Most of the investigated functionalized TPE candidates show ultrafast deactivation to the ground state due to their still existing structural flexibility, but two examples, one containing –CN and –CF 3 groups and a second characterized by a network of hydrogen bonds, have been identified as interesting candidates for creating efficient luminescence properties in solution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

On a variational formulation of the weakly nonlinear magnetic Rayleigh–Taylor instability

The magnetic-Rayleigh–Taylor (MRT) instability is a ubiquitous phenomenon that occurs in magnetically-driven Z-pinch implosions. It is important to understand this instability since it can decrease the performance of such implosions. In this work, I present a theoretical model for the weakly nonlinear MRT instability. I obtain such a model by asymptotically expanding an action principle, whose Lagrangian leads to the fully nonlinear MRT equations. After introducing a suitable choice of coordinates, I show that the theory can be cast as a Hamiltonian system, whose Hamiltonian is calculated up to the sixth order in a perturbation parameter. The resulting theory captures the harmonic generation of MRT modes. It is shown that the amplitude at which the linear magnetic-Rayleigh–Taylor instability exponential growth saturates depends on the stabilization effect of the magnetic-field tension. Overall, the theory provides an intuitive interpretation of the weakly nonlinear MRT instability and provides a systematic approach for studying this instability in more complex settings.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Pyroelectric thin films—Past, present, and future

Pyroelectrics are a material class that undergoes a change in polarization as the temperature of the system is varied. This effect can be utilized for applications ranging from thermal imaging and sensing to waste-heat energy conversion to thermally driven electron emission. Here, we review recent advances in the study and utilization of thin-film pyroelectrics. Leveraging advances in modeling, synthesis, and characterization has provided a pathway forward in one of the more poorly developed subfields of ferroelectricity. We introduce the complex physical phenomena of pyroelectricity, briefly explore the history of work in this space, and highlight not only new advances in the direct measurement of such effects but also how our ability to control thin-film materials is changing our understanding of this response. Finally, we discuss recent advances in thin-film pyroelectric devices and introduce a number of potentially new directions the field may follow in the coming years.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Designing high-power, octave spanning entangled photon sources for quantum spectroscopy

Entangled photon spectroscopy is a nascent field that has important implications for measurement and imaging across chemical, biology, and materials fields. Entangled photon spectroscopy potentially offers improved spatial and temporal-frequency resolutions, increased cross sections for multiphoton and nonlinear measurements, and new abilities in inducing or measuring quantum correlations. A critical step in enabling entangled photon spectroscopies is the creation of high-flux entangled sources that can use conventional detectors as well as provide redundancy for the losses in realistic samples. Here, we report a periodically poled, chirped, lithium tantalate platform that generates entangled photon pairs with ~10 -7 efficiency. For a near watt level diode laser, this results in a near μW-level flux. The single photon per mode limit that is necessary to maintain non-classical photon behavior is still satisfied by distributing this power over up to an octave-spanning bandwidth. The spectral–temporal photon correlations are observed via a Michelson-type interferometer that measures the broadband Hong–Ou–Mandel two-photon interference. A coherence time of 245 fs for a 10 nm bandwidth in the collinear case and a coherence time of 62 fs for a 125 nm bandwidth in the non-collinear case are measured using a CW pump laser and, essentially, collecting the full photon cone. We outline in detail the numerical methods used for designing and tailoring the entangled photons source, such as changing center wavelength or bandwidth, with the ultimate aim of increasing the availability of high-flux UV–Vis entangled photon sources in the optical spectroscopy community.

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

Numerical study of $\delta$-function current sheets arising from resonant magnetic perturbations

We report general three-dimensional toroidal ideal magnetohydrodynamic equilibria with a continuum of nested flux surfaces are susceptible to forming singular current sheets when resonant perturbations are applied. The presence of singular current sheets indicates that, in the presence of non-zero resistivity, magnetic reconnection will ensue, leading to the formation of magnetic islands and potentially regions of stochastic field lines when islands overlap. Numerically resolving singular current sheets in the ideal magnetohydrodynamics (MHD) limit has been a significant challenge. This work presents numerical solutions of the Hahm–Kulsrud–Taylor (HKT) problem, which is a prototype for resonant singular current sheet formation. The HKT problem is solved by two codes: a Grad–Shafranov (GS) solver and the Stepped Pressure Equilibrium Code (SPEC) code. The GS solver has built-in nested flux surfaces with prescribed magnetic fluxes. The SPEC code implements multi-region relaxed magnetohydrodynamics (MRxMHD), whereby the solution relaxes to a Taylor state in each region while maintaining force balance across the interfaces between regions. As the number of regions increases, the MRxMHD solution appears to approach the ideal MHD solution assuming a continuum of nested flux surfaces. We demonstrate agreement between the numerical solutions obtained from the two codes through a convergence study.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Anomalous transport of multi-species edge plasma with the generalized Hasegawa–Wakatani model and the FLR effects

Anomalous transport of multi-species plasma is considered with the generalized Hasegawa–Wakatani model [A. R. Knyazev and S. I. Krasheninnikov, Phys. Plasmas 31, 012502 (2024)] further extended to incorporate the Finite Larmor Radius (FLR) effects. By introducing the “associated” enstrophy, it is shown that with no FLR effects (where anomalous transport of all ion species is described as a transport of passive scalars in the turbulent fields of the electrostatic potential and electron density fluctuations) the fluctuating densities of ion species converge to the state where they are linearly proportional to electron density and vorticity fluctuations, which confirm previous numerical findings of [A. R. Knyazev and S. I. Krasheninnikov, Phys. Plasmas 31, 012502 (2024)]. However, in contrast to the “cold” ion approximation, with the FLR effects included, both the plasma turbulence and the dynamics of all ion species become interconnected. Therefore, for simplicity, the FLR effects in this work were considered only for a small “trace” impurity fraction. It is found that for light (neon) “trace” impurity, the FLR effects reduce both anomalous flux and density fluctuations. However, for heavy (tungsten) “trace” impurity, the FLR effects exhibit non-monotonic impact on anomalous transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Electric fields imbue enzyme reactivity by aligning active site fragment orbitals

It is broadly recognized that intramolecular electric fields, produced by the protein scaffold and acting on the active site, facilitate enzymatic catalysis. This field effect can be described by several theoretical models, each of which is intuitive to varying degrees. In this contribution, we show that a fundamental effect of electric fields is to generate electrostatic potentials that facilitate the energetic alignment of reactant frontier orbitals. We apply this model to demystify the impact of electric fields on high-valent iron–oxo heme proteins: catalases, peroxidases, and peroxygenases/monooxygenases. Specifically, we show that this model easily accounts for the observed field-induced changes to the spin distribution within peroxidase active sites and explains the transition between epoxidation and hydroxylation pathways seen in Cytochrome P450 active site models. Thus, for the intuitive interpretation of the chemical effect of the field, the strategy involves analyzing the response of the orbitals of active site fragments, and their energetic alignment. We note that the energy difference between fragment orbitals involved in charge redistribution acts as a measure for the chemical hardness/softness of the reactive complex. This measure, and its sensitivity to electric fields, offers a single parameter model from which to quantitatively assess the effects of electric fields on reactivity and selectivity. Thus, the model provides an additional perspective to describe electrostatic preorganization and offers ways for its manipulation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

The 2026 guided acoustic waves roadmap

Guided elastic waves are a truly cross-disciplinary key enabling technology. For more than five decades, surface acoustic wave (SAW) and bulk acoustic wave devices find widespread applications. Nowadays, different types of guided elastic waves cover the wide spectrum of applications spanning from quantum technologies to the life sciences, from controlling single excitations to macroscopic collective states in condensed matter. Six years after the first 2019 SAW roadmap, we believe it is time to make a step back and take a fresh look at the status of the field and its future challenges. Since the first roadmap in 2019, the spectrum clearly expanded and this new edition presents a current snapshot of the status of this vibrant field and prospects for potential future developments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Constraints on early dark energy from the axion weak gravity conjecture

A popular proposal for resolving the Hubble tension involves an early phase of dark energy, driven by an axion field with a periodic potential. Here, in this paper, we argue that these models are tightly constrained by the axion weak gravity conjecture: for typical parameter values, the axion decay constant must satisfy f < 0.008,M Pl , which is smaller than the axion decay constants appearing in the vast majority of early dark energy models to date. We discuss possible ways to evade or loosen this constraint, arguing that its loopholes are small and difficult to thread. This suggests that it may prove challenging to realize early dark energy models in a UV complete theory of quantum gravity.

string theory and cosmology↗
DOE OSTI2019

Climate change impacts the spread potential of wheat stem rust, a significant crop disease

Abstract Long range atmospheric transport is an important pathway for the spread of plant pathogens, such as rust fungi which can devastate cereal crop health and food security worldwide. In recent years, serious concern has been caused by the evolution of new virulent races of Puccinia graminis f. sp. tritici , a pathogen causing wheat stem rust that can result in close to 100% yield losses on susceptible wheat cultivars in favourable weather conditions. We applied an Earth system model to compare the suitability of the current climate and a business-as-usual climate scenario (RCP 8.5) for 2100 for wheat stem rust. Although there are large uncertainties in modelling changes in disease spread, we focus in this paper on the changes which are likely to be robust to model assumptions. We show that the warmer climate with lower relative humidity and enhanced turbulence will lead to ∼40% increase in the urediniospore emitting potential of an infected field as global average. The main predicted changes in the atmospheric long-range transport include reduced connections between Europe, Africa and South Asia, and increased frequency of spores crossing the mid-latitude oceans. Due to reduction in subfreezing conditions, the overwintering areas of the fungus will expand. On the other hand, projected drier conditions will reduce substantially the probability of an infection starting from deposited spores, except in irrigated fields.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Correlation and co-localization of QTL for stomatal density, canopy temperature, and productivity with and without drought stress in Setaria

Abstract Mechanistic modeling indicates that stomatal conductance could be reduced to improve water use efficiency (WUE) in C4 crops. Genetic variation in stomatal density and canopy temperature was evaluated in the model C4 genus, Setaria. Recombinant inbred lines (RILs) derived from a Setaria italica×Setaria viridis cross were grown with ample or limiting water supply under field conditions in Illinois. An optical profilometer was used to rapidly assess stomatal patterning, and canopy temperature was measured using infrared imaging. Stomatal density and canopy temperature were positively correlated but both were negatively correlated with total above-ground biomass. These trait relationships suggest a likely interaction between stomatal density and the other drivers of water use such as stomatal size and aperture. Multiple quantitative trait loci (QTL) were identified for stomatal density and canopy temperature, including co-located QTL on chromosomes 5 and 9. The direction of the additive effect of these QTL on chromosome 5 and 9 was in accordance with the positive phenotypic relationship between these two traits. This, along with prior experiments, suggests a common genetic architecture between stomatal patterning and WUE in controlled environments with canopy transpiration and productivity in the field, while highlighting the potential of Setaria as a model to understand the physiology and genetics of WUE in C4 species.

59 BASIC BIOLOGICAL SCIENCES↗