Search NASA⌕ Search

SEARCH · Search NASA

Results for “BASIC INTERACTIONS”

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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Optimal gas cooling with minimal aero-opticaldistortion for next generation high-average-power lasers (Progress report, Year 2)

Next-generation lasers that combine high-peak-power ultrashort pulses with high repetition rates have the potential to efficiently deliver the high-average-power outputs required for inertial fusion energy generation, laser-based particle acceleration, and to generate compact secondary x- and 𝛾-ray radiation sources, among others. The combination of long gain length with high surface-to-volume ratio to remove residual heat makes gas-cooled multi-slab amplifier heads an inherently aperture- and average power scalable technology that enables this new class of solid-state lasers, and their thermal management becomes the most pressing technical challenge. As the index-of refraction depends on the gas density, heat removal from the slab surfaces unavoidably entails scattering of propagated light from regions of high temperature fluctuations. The requirement to maximize convective heat extraction from the gain medium under the constraint of minimum optical aberration of the beam renders amplifier slab cooling a technological challenge at the intersection of aero-optics, fluid-mechanics and heat transfer. The goal of this research is to leverage computational fluid dynamics and aero optics simulations of different levels of fidelity to devise a numerical modeling and optimization framework for gas-cooled multi-slab amplifiers. The project will be conducted in close collaboration with the Advanced Photon Technologies Group at Lawrence Livermore National Laboratory, where a gas-cooled test stand for laser materials and thermal management structures will be developed and installed. The final goal of the collaborative effort is to manufacture and benchmark a physical prototype of an numerically optimized amplifier head design. Measurement data on solid-state and thermo-optical distortions will be used for the validation of the numerical models. The key technical challenge in this multi-objective design problem is that of balancing optimal heat removal with minimal optical distortion. To facilitate computationally efficient design optimization and, at the same time, deepen our basic understanding of the interaction of light with turbulence, a complementary study that combines high and low-fidelity flow simulations and aero-optical models is proposed. Along the lines of these two objectives and solution strategies, the project is organized into two thrusts.

42 ENGINEERING↗
DOE OSTI2026

Electron storage ring power supply system design report

In January 2020, U.S. Secretary of Energy Dan Brouillette announced the decision to build an Electron Ion Collider (EIC) at Brookhaven National Laboratory (BNL). While advancing the state of the art of particle colliders, the EIC will enable the U.S. nuclear physics community, with world wide participation, to take a giant step forward in the centuries-old quest to understand the nature of matter at its most fundamental level, providing the clearest picture yet of how the elemental quarks and gluons interact to form the basic structure of atoms and nuclei. The EIC at Brookhaven National Laboratory will be the first particle accelerator capable of colliding polarized ions with polarized electrons.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Parallelization techniques for quantum simulation of fermionic systems

Mapping fermionic operators to qubit operators is an essential step for simulating fermionic systems on a quantum computer. We investigate how the choice of such a mapping interacts with the underlying qubit connectivity of the quantum processor to enable (or impede) parallelization of the resulting Hamiltonian-simulation algorithm. It is shown that this problem can be mapped to a path coloring problem on a graph constructed from the particular choice of encoding fermions onto qubits and the fermionic interactions onto paths. The basic version of this problem is called the weak coloring problem. Taking into account the fine-grained details of the mapping yields what is called the strong coloring problem, which leads to improved parallelization performance. A variety of illustrative analytical and numerical examples are presented to demonstrate the amount of improvement for both weak and strong coloring-based parallelizations. Our results are particularly important for implementation on near-term quantum processors where minimizing circuit depth is necessary for algorithmic feasibility.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

First Measurement of the Isospin-Dependence of Nuclear Structure Functions at 12 GeV Jefferson Lab

The structure functions of protons and neutrons provide crucial insight into how the strong nuclear force, as described by Quantum Chromodynamics (QCD), manifests at everyday energies, allowing us to better understand precisely how quarks and gluons interact to form the basic building blocks of almost all visible mass in our universe. Despite more than 40 years of experimental and theoretical effort, the EMC effect – the observation that nuclear structure functions appear to be modified from those of free nucleons – is still not fully understood. One open question that remains is whether or not the modification of quark distributions is the same for all quark flavors. Determining the flavor (isospin) dependence of the EMC effect, which is predicted by several models, is essential for coming to a complete understanding of how QCD manifests in nuclei. To this end, inclusive electron Deep Inelastic Scattering (DIS) from nuclei with approximately constant atomic mass number A and variable proton-to-neutron ratio N/Z was measured in Jefferson Lab experiment E12-10-008 to look for isospin-dependent modification of nuclear structure functions. The preliminary EMC ratios presented here cover a kinematic range of 2.8 < Q2 < 8.1 GeV2 and 0.18 < xBj < 1.0. The size of the EMC effect in these nuclei is extracted by calculating the slope of the EMC ratio as a function of Bjorken x (xBj ) over the ranges 0.3 < xBj < 0.6 and 0.3 < xBj < 0.7; these slopes then are compared with existing world data. Our preliminary results do not appear to indicate significant isospin-dependence of the EMC effect, though a more careful study is needed once all results are confirmed.

Cotton, Cameron William [Univ. of Virginia, Charlo↗
DOE OSTI2018

A physical-based gas–surface interaction model for rarefied gas flow simulation

Empirical gas–surface interaction models, such as the Maxwell model and the Cercignani–Lampis model, are widely used as the boundary condition in rarefied gas flow simulations. The accuracy of these models in the prediction of macroscopic behavior of rarefied gas flows is less satisfactory in some cases especially the highly non-equilibrium ones. Molecular dynamics simulation can accurately resolve the gas–surface interaction process at atomic scale, and hence can predict accurate macroscopic behavior. They are however too computationally expensive to be applied in real problems. In this work, a statistical physical-based gas–surface interaction model, which complies with the basic relations of boundary condition, is developed based on the framework of the washboard model. In virtue of its physical basis, this new model is capable of capturing some important relations/trends for which the classic empirical models fail to model correctly. As such, the new model is much more accurate than the classic models, and in the meantime is more efficient than MD simulations. Therefore, it can serve as a more accurate and efficient boundary condition for rarefied gas flow simulations. - Highlights: • The new physical-based gas–surface interaction model satisfies the basic relations of boundary condition so that it can be used in rarefied gas flow simulations. • The new physical model possesses several advantages comparing to the empirical gas–surface interaction models, hence it's a more accurate boundary condition for rarefied gas flow study. • The new physical model is a statistical model which can be efficiently implemented by Monte Carlo method. It's much more efficient comparing to the MD simulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Active particles in complex and crowded environments

Differently from passive Brownian particles, active particles, also known as self-propelled Brownian particles or microswimmers and nanoswimmers, are capable of taking up energy from their environment and converting it into directed motion. Because of this constant flow of energy, their behavior can be explained and understood only within the framework of nonequilibrium physics. In the biological realm, many cells perform directed motion, for example, as a way to browse for nutrients or to avoid toxins. Inspired by these motile microorganisms, researchers have been developing artificial particles that feature similar swimming behaviors based on different mechanisms. These man-made micromachines and nanomachines hold a great potential as autonomous agents for health care, sustainability, and security applications. Finally, with a focus on the basic physical features of the interactions of self-propelled Brownian particles with a crowded and complex environment, this comprehensive review will provide a guided tour through its basic principles, the development of artificial self-propelling microparticles and nanoparticles, and their application to the study of nonequilibrium phenomena, as well as the open challenges that the field is currently facing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions. Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies

Structure-based design, synthesis, and biological evaluation of a series of very potent HIV-1 protease inhibitors are described. In an effort to improve backbone ligand–binding site interactions, we have incorporated basic-amines at the C4 position of the bis-tetrahydrofuran (bis-THF) ring. We speculated that these substituents would make hydrogen bonding interactions in the flap region of HIV-1 protease. Synthesis of these inhibitors was performed diastereoselectively. A number of inhibitors displayed very potent enzyme inhibitory and antiviral activity. Inhibitors 25f , 25i , and 25j were evaluated against a number of highly-PI-resistant HIV-1 strains, and they exhibited improved antiviral activity over darunavir. Two high resolution X-ray structures of 25f- and 25g- bound HIV-1 protease revealed unique hydrogen bonding interactions with the backbone carbonyl group of Gly48 as well as with the backbone NH of Gly48 in the flap region of the enzyme active site. These ligand–binding site interactions are possibly responsible for their potent activity.

Ghosh, Arun K.↗
DOE OSTI2016

Mechanical and Thermal Properties of Irradiated SiC/SiC Composites: Bridge Continuum Models With Atomic-level Simulations

Due to their excellent high-temperature fracture, creep, corrosion, and thermal shock resistance in addition to their high thermo-chemical stability, reduced activation, and low radiation- induced after heat, silicon carbide-fiber/silicon carbide-matrix (SiC/SiC) composites are being developed as structural materials for first wall and breeder blanket applications in advanced fusion power plants. In such applications these materials will be subjected to a high heat flux that imposes extremely stringent requirements on the minimum thermal conductivity needed. Also, SiC offers a number of potential applications for both electron devices and structural components as an inert matrix for the transmutation of plutonium and as cladding material for gas-cooled fission reactor. There has been a rapid growth of activity in the experimental study and the modeling of energetic-beam interactions, such as those encountered in ion-beam processing or in irradiation environments, on the structure and properties of SiC. During the last decade, understanding the basics of ion-solid interaction and irradiation damage has led to significant developments in state-of-the-art atomic-level, meso-scale simulations and continuum models of mechanical and thermal property prediction, and these different scales studies have dramatically advanced the understanding of defect and defect processes in a number of materials, ranging from metals to semiconductors to insulators. Recent progress in multi-scale simulations of fundamental ion-solid interactions, defect generation and defect evolution in SiC, as well as its property degradation under irradiation, is reviewed, which will provide significant insights into the radiation resistance behavior of SiC and SiC/SiC composites. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2022

Characterizing the Solvation Characteristics of Deep Eutectic Solvents Composed of Active Pharmaceutical Ingredients as a Hydrogen Bond Donor and/or Acceptor

The formation of eutectic mixtures from active pharmaceutical ingredients (APIs) has emerged as an effective technique to develop liquid pharmaceutical formulations. API-based deep eutectic solvents (DESs) enhance the water solubility of APIs and avoid their recrystallization. The physico-chemical properties of API-DESs can be easily modulated by judicious selection of a hydrogen bond acceptor (HBA) or hydrogen bond donor (HBD) excipient that is mixed with the API. Solvation properties of API-DESs can help in understanding the role of ionic and non-ionic excipients towards the overall solvation interactions of these DESs. In this study, the solvation characteristics of three subclasses of API-DESs containing API-HBAs, API-HBDs, or API-HBAs and API-HBDs are investigated. Inverse gas chromatography is employed to study solute-solvent interactions of a variety of probe molecules for twenty different API-DESs. Among the API-DESs comprised of API-HBAs and carboxylic acid or diol-based HBDs, DESs containing diol-based HBDs exhibited stronger dipolar, hydrogen bond basicity, and hydrogen bond acidity interactions compared to carboxylic acid-based HBDs. No significant differences were observed in the solvation properties of DESs comprised of API HBAs and API HBDs. API-DESs comprised of the choline chloride HBA and API-HBDs exhibited stronger hydrogen bond acidity and dipolarity and weaker dispersive-type interactions among the DESs evaluated in this study. An in-depth evaluation of solvation properties for these DESs is important to completely exploit their potential in separation science as well as the fields of biomaterial science, pharmaceutical chemistry, and biotechnology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Atoms and Ions Interacting with Particles and Fields: Final Report

This grant supported research in basic atomic, molecular and optical physics related to the interactions of atoms with particles and fields. The duration of the grant was the 10 year period from 8/2003 to 8/2013. All of the support from the grant was used to pay salaries of the PI, postdocs, graduate students, and undergraduates and travel to conferences and meetings. The results were in the form of publications in peer reviewed journals. There were 65 peer reviewed publications over these 10 years with 8 of the publications in Physical Review Letters; all of the other articles were in respected peer reviewed journals (Physical Review A, New Journal of Physics, Journal of Physics B, ...). I will disuss the results for the periods of time relevant for each grant period.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2012

Search for Contact Interactions in the Dimuon Channel in $pp$ Collisions at $\sqrt{s} = 7$ TeV at CMS

The standard model fails to explain the variety of observed quark and lepton avors and their masses suggesting that there might exist a more fundamental basis. If quarks and leptons are composite particles made up of more basic constituents, a new physics interaction in the form of a four-fermion contact interaction arises between them. Experimentally the signal is manifest as a deviation from the standard model prediction in the high-mass tail for the invariant mass distribution of the opposite-sign dimuon pairs. The Large Hadron Collider accelerator at the Center for European Nuclear Research is built to explore new physics possibilities from proton-proton collisions occurring at the world's highest center-of-mass energy. This thesis discusses in detail a search strategy for a new physics possibility based on a left-handed current model of contact interactions. Based on 5.3 fb -1 of 2011 data as collected by the Compact Muon Solenoid detector, exclusion lower limits at 95% con dence level are set on the compositeness energy scale , for both destructive and constructive interferences of the new physics with the standard model Drell-Yan process. These limits form the most stringent limits to date and exceed the current published limits signi cantly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Weak decays of heavy hadrons into dynamically generated resonances

In this study, we present a review of recent works on weak decay of heavy mesons and baryons with two mesons, or a meson and a baryon, interacting strongly in the final state. The aim is to learn about the interaction of hadrons and how some particular resonances are produced in the reactions. It is shown that these reactions have peculiar features and act as filters for some quantum numbers which allow to identify easily some resonances and learn about their nature. The combination of basic elements of the weak interaction with the framework of the chiral unitary approach allow for an interpretation of results of many reactions and add a novel information to different aspects of the hadron interaction and the properties of dynamically generated resonances.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Ecosystem Fabrication (EcoFAB) Protocols for The Construction of Laboratory Ecosystems Designed to Study Plant-microbe Interactions

Beneficial plant-microbe interactions offer a sustainable biological solution with the potential to boost low-input food and bioenergy production. A better mechanistic understanding of these complex plant-microbe interactions will be crucial to improving plant production as well as performing basic ecological studies investigating plant-soil-microbe interactions. Here, a detailed description for ecosystem fabrication is presented, using widely available 3D printing technologies, to create controlled laboratory habitats (EcoFABs) for mechanistic studies of plant-microbe interactions within specific environmental conditions. Two sizes of EcoFABs are described that are suited for the investigation of microbial interactions with various plant species, including Arabidopsis thaliana, Brachypodium distachyon, and Panicum virgatum. These flow-through devices allow for controlled manipulation and sampling of root microbiomes, root chemistry as well as imaging of root morphology and microbial localization. This protocol includes the details for maintaining sterile conditions inside EcoFABs and mounting independent LED light systems onto EcoFABs. Detailed methods for addition of different forms of media, including soils, sand, and liquid growth media coupled to the characterization of these systems using imaging and metabolomics are described. Together, these systems enable dynamic and detailed investigation of plant and plant-microbial consortia including the manipulation of microbiome composition (including mutants), the monitoring of plant growth, root morphology, exudate composition, and microbial localization under controlled environmental conditions. We anticipate that these detailed protocols will serve as an important starting point for other researchers, ideally helping create standardized experimental systems for investigating plant-microbe interactions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Methanol Steam Reforming on Ru/m-ZrO 2 : Sodium Promotion of the CO 2 -Forming Pathway

Sodium (Na) promotion of Ru/m-ZrO 2 was investigated to elucidate how an alkali modification tunes selectivity in methanol steam reforming (MSR). H 2 -TPR/XANES/EXAFS show that Na increases surface basicity and strengthens Ru–O interactions, shifting RuO x reduction and H 2 spillover to a higher temperature. DRIFTS reveals Na-induced red shifts of the formate ν(CH) band and changes in OCO vibrational splitting, consistent with weakening of the formate C–H bond and an altered binding geometry. CO 2 -TPD confirms a monotonic shift toward stronger basic sites with increasing Na concentrations. Under MSR conditions, Na selectively increases CO2 concentration at the expense of CO. At ~80% conversion and 325 °C, CO 2 selectivity increases from 12.0% (unpromoted) to 16.2, 21.0, and 26.5% for 0.5, 1.0, and 1.8% Na, respectively; at ~300 °C and ~66–69% conversion, CO 2 selectivity increases from 8.6% to 23.7% at 1.8% Na. Transient MSR experiments further show earlier and larger H 2 evolution upon Na addition, corroborating the promotion of the dehydrogenation/decarbonylation route to CO 2 + H 2 . We propose that Na increases basicity and modifies the Ru–support interface to favor formate dehydrogenation/decarboxylation, thereby increasing the H 2 yield and lowering CO formation. Ru’s higher-energy, less occupied d-band stabilizes CO and oxygenated intermediates more strongly in the reforming environment, making the CO-forming pathway more resistant to suppression than on Pt.

CO2 selectivity↗
DOE OSTI2016

Review of Aerosol–Cloud Interactions: Mechanisms, Significance, and Challenges

Over the past decade, the number of studies that investigate aerosol-cloud interactions has increased considerably. Although tremendous progress has been made to improve our understanding of basic physical mechanisms of aerosol-cloud interactions and reduce their uncertainties in climate forcing, we are still in poor understanding of (1) some of the mechanisms that interact with each other over multiple spatial and temporal scales, (2) the feedback between microphysical and dynamical processes and between local-scale processes and large-scale circulations, and (3) the significance of cloud-aerosol interactions on weather systems as well as regional and global climate. This review focuses on recent theoretical studies and important mechanisms on aerosol-cloud interactions, and discusses the significances of aerosol impacts on raditative forcing and precipitation extremes associated with different cloud systems. Despite significant understanding has been gained about aerosol impacts on the main cloud types, there are still many unknowns especially associated with various deep convective systems. Therefore, large efforts are needed to escalate our understanding. Future directions should focus on obtaining concurrent measurements of aerosol properties, cloud microphysical and dynamic properties over a range of temporal and spatial scales collected over typical climate regimes and closure studies, as well as improving understanding and parameterizations of cloud microphysics such as ice nucleation, mixed-phase properties, and hydrometeor size and fall speed

Fan, Jiwen↗
DOE OSTI2020

Membrane stiffness and myelin basic protein binding strength as molecular origin of multiple sclerosis

Myelin basic protein (MBP) and its interaction with lipids of the myelin sheath plays an important part in the pathology of multiple sclerosis (MS). Previous studies observed that changes in the myelin lipid composition lead to instabilities and enhanced local curvature of MBP-lipid multilayer structures. We investigated the molecular origin of the instability and found that the diseased lipid membrane has a 25% lower bending rigidity, thus destabilizing smooth >1µm curvature radius structures such as in giant unilamellar vesicles. MBP-mediated assembling of lipid bilayers proceeds in two steps, with a slow second step occurring over many days where native lipid membranes assemble into well-defined multilayer structures, whereas diseased lipid membranes form folded assemblies with high local curvature. For both native and diseased lipid mixtures we find that MBP forms dense liquid phases on top of the lipid membranes mediating attractive membrane interactions. Furthermore, we observe MBP to insert into its bilayer leaflet side in case of the diseased lipid mixture, whereas there is no insertion for the native mixture. Insertion increases the local membrane curvature, and could be caused by a decrease of the sphingomyelin content of the diseased lipid mixture. These findings can help to open a pathway to remyelination strategies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Next-Generation Sequencing for Binary Protein–Protein Interactions

The yeast two-hybrid (Y2H) system exploits host cell genetics in order to display binary protein–protein interactions (PPIs) via defined and selectable phenotypes. Numerous improvements have been made to this method, adapting the screening principle for diverse applications, including drug discovery and the scale-up for proteome wide interaction screens in human and other organisms. Here we discuss a systematic workflow and analysis scheme for screening data generated by Y2H and related assays that includes high-throughput selection procedures, readout of comprehensive results via next-generation sequencing (NGS), and the interpretation of interaction data via quantitative statistics. The novel assays and tools will serve the broader scientific community to harness the power of NGS technology to address PPI networks in health and disease. We discuss examples of how this next-generation platform can be applied to address specific questions in diverse fields of biology and medicine.

quantitative interaction profiles↗
DOE OSTI2014

A new dipolar potential for numerical simulations of polar fluids on the 4D hypersphere

We present a new method for Monte Carlo or Molecular Dynamics numerical simulations of three-dimensional polar fluids. The simulation cell is defined to be the surface of the northern hemisphere of a four-dimensional (hyper)sphere. The point dipoles are constrained to remain tangent to the sphere and their interactions are derived from the basic laws of electrostatics in this geometry. The dipole-dipole potential has two singularities which correspond to the following boundary conditions: when a dipole leaves the northern hemisphere at some point of the equator, it reappears at the antipodal point bearing the same dipole moment. We derive all the formal expressions needed to obtain the thermodynamic and structural properties of a polar liquid at thermal equilibrium in actual numerical simulation. We notably establish the expression of the static dielectric constant of the fluid as well as the behavior of the pair correlation at large distances. We report and discuss the results of extensive numerical Monte Carlo simulations for two reference states of a fluid of dipolar hard spheres and compare these results with previous methods with a special emphasis on finite size effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗