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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Side-Chain and Ring-Size Effects on Permeability in Artificial Water Channels

Artificial water channels (AWCs) have emerged as a promising framework for stable water permeation, with water transport rates comparable to aquaporins (3.4–40.3 × 10 8 H 2 O/channel/s). In this study, we probe the influence of ring-size and side-chain length on the water permeability observed within a class of AWCs termed ligand-appended pillar[n]arenes (LAPs) that have an adjustable ring-size (m) and side-chain length (n). Through all-atom molecular dynamics simulations, we calculate the permeability of these channels using the collective diffusion model and find their permeabilities. We characterize the mechanistic influence of pillar[n]arene ring-size and side-chain length on the channel water permeability by analyzing the characteristics of the internal permeating water-wire and the surrounding channel structure. We observe that water permeability decreases as a function of increasing ring-size due to increases in hydrophilic contacts between the permeating water-wire and the oxygen groups on the channel wall. Further, we observe an increase in water permeability as a function of side-chain length due to increased partitioning of the channel terminal groups into the hydrophilic blocks of the surrounding bilayer. For the LAP6 channel, with increase in side-chain length, the distance between terminal groups increases and leads to an increase in pore size, thereby enhancing water permeability. In the case of LAP5, as side-chain length increases, the channel displays a compensatory effect between tilt and bend angle due to the flexible side-chains. Such flexibility leads to higher terminal group partitioning in the hydrophilic blocks of the bilayer and extends the permeating water-wire. Furthermore, this increase in water-wire length and hydrophilic block access overcomes the nonmonotonic pore size trend in pillar[5]arene channels.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Super-Resolved Single-Molecule Tracking Studies of Rhodamine B Accumulation on Fresh and Aged Polyethylene Terephthalate

It is well-known that toxic organic micropollutants (OMs) accumulate on the surfaces of microplastics. However, much remains to be learned about the exact molecular level mechanisms of OM accumulation and how these evolve as the plastics age. In this work, super-resolved single-molecule tracking (SMT) is used for the first time to investigate the accumulation of Rhodamine B (RhB) dye on fresh and artificially aged polyethylene terephthalate (PET) surfaces. PET thin films serve as models for microplastics, while RhB serves as a proxy for the OMs they accumulate. Artificial aging of the films is accomplished by exposing them in a UV-ozone chamber. Water contact angle, spectroscopic ellipsometry, and carbonyl index measurements reveal a gradual decrease in film hydrophobicity, thickness, and carbonyl content with age. Atomic force microscopy (AFM) data reveal an increase in surface roughness and confirm that the films remain largely intact and continuous across the aging times explored. In SMT experiments, wide-field fluorescence videos acquired from the water/PET interface under 7.5 pM RhB reveal both mobile and immobile dye molecules. Measurements of the frame-to-frame displacements of the dye show that diffusion occurs by a desorption-mediated mechanism and that the diffusion rate varies with PET film age. The surface density of mobile dye molecules decreases with increasing PET age, while the population of immobile molecules becomes relatively larger, suggesting an age-dependent transformation of the mechanism(s) by which the dye is accumulated. SMT data reveal that both mobile and immobile molecules repeatedly adsorb over the same surface sites, consistent with the emergence of nanoscale PET surface heterogeneity also revealed by AFM. Estimates of the adsorption coefficients are obtained using a nearest-neighbor analysis, giving values from 9.9 × 10 5 to 2.1 × 10 6 M –1 for immobile molecules and from 1.8 × 10 5 to 2.5 × 10 5 M –1 for mobile molecules on fresh and 5 min aged PET, respectively. Here, anomalous age-dependent variations in the velocity of molecular motion on the PET surface and in the population of immobile molecules are shown to correlate with changes in the strength of RhB adsorption.

Adsorption↗
NASA NTRS2010

A Powerful Toolkit for Synthetic Biology: Over 3.8 Billion Years of Evolution

The combination of evolutionary with engineering principles will enhance synthetic biology. Conversely, synthetic biology has the potential to enrich evolutionary biology by explaining why some adaptive space is empty, on Earth or elsewhere. Synthetic biology, the design and construction of artificial biological systems, substitutes bio-engineering for evolution, which is seen as an obstacle. But because evolution has produced the complexity and diversity of life, it provides a proven toolkit of genetic materials and principles available to synthetic biology. Evolution operates on the population level, with the populations composed of unique individuals that are historical entities. The source of genetic novelty includes mutation, gene regulation, sex, symbiosis, and interspecies gene transfer. At a phenotypic level, variation derives from regulatory control, replication and diversification of components, compartmentalization, sexual selection and speciation, among others. Variation is limited by physical constraints such as diffusion, and chemical constraints such as reaction rates and membrane fluidity. While some of these tools of evolution are currently in use in synthetic biology, all ought to be examined for utility. A hybrid approach of synthetic biology coupled with fine-tuning through evolution is suggested

Rothschild, Lynn J.↗
DOE OSTI2026

Toward a microscopic picture of hadronization and multi-parton processes

This project advanced the understanding of how quarks and gluons produced in high-energy collisions transform into the hadrons observed in particle detectors, a fundamental process known as quantum chromodynamics (QCD) hadronization. By combining theoretical calculations, quantum simulation methods, and modern AI techniques, the research developed new tools to study multi-parton dynamics and nonperturbative effects that are essential for interpreting data from current and future nuclear physics experiments. Key outcomes include new theoretical frameworks for jet and hadron measurements, pioneering quantum simulation algorithms for real-time dynamics in field theories, and the development of advanced machine-learning models, such as diffusion models and explainable classifiers, to simulate and analyze collider events. These results are directly relevant to experiments at Jefferson Lab, Brookhaven National Laboratory, and the future Electron-Ion Collider, and they also have a broader impact in areas such as quantum information science and data-driven modeling of complex systems. The project supported the training of graduate students and postdoctoral fellows and contributed to the broader scientific community through publications, workshops, and collaborative activities. Overall, this work provides new insights into the microscopic mechanisms of hadron formation and establishes a foundation for future studies at the intersection of nuclear physics, artificial intelligence, and quantum computing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1995

Application of the space-time conservation element and solution element method to two-dimensional advection-diffusion problems

The existing 2-D alpha-mu scheme and alpha-epsilon scheme based on the method of space-time conservation element and solution element, which were constructed for solving the linear 2-D unsteady advection-diffusion equation and unsteady advection equation, respectively, are tested. Also, the alpha-epsilon scheme is modified to become the V-E scheme for solving the nonlinear 2-D inviscid Burgers equation. Numerical solutions of six test problems are presented in comparison with their exact solutions or numerical solutions obtained by traditional finite-difference or finite-element methods. It is demonstrated that the 2-D alpha-mu, alpha-epsilon, and nu-epsilon schemes can be used to obtain numerical results which are more accurate than those based on some of the traditional methods but without using any artificial tuning in the computation. Similar to the previous 1-D test problems, the high accuracy and simplicity features of the space-time conservation element and solution element method have been revealed again in the present 2-D test results.

Wang, Xiao-Yen↗
NASA NTRS1972

Turbulence of electrostatic electron cyclotron harmonic waves observed by Ogo 5.

Analysis of VLF emissions that have been observed near 3/2, 5/2, and 7/2 f sub H by Ogo 5 in the magnetosphere (f sub H is the electron cyclotron frequency) in the light of the mechanism used for the diffuse plasma resonance f sub Dn observed by Alouette 2 and Isis 1. The VLF emission is considered to be generated by nonlinear coupling mechanisms in certain portions of the observation as the f sub Dn is enhanced by its association with nonlinear wave-particle interaction of the electrostatic electron cyclotron harmonic wave, including the instability due to the nonlinear inverse Landau damping mechanism in the turbulence. The difference between the two observations is in the excitation mechanism of the turbulence; the turbulence in the plasma trough detected by Ogo 5 is due to natural origins, whereas the ionospheric topside sounder makes the plasma wave turbulence artificially by submitting strong stimulation pulses. Electron density values in the plasma trough are deduced by applying the f sub Dn-f sub N/f sub H relationship obtained from the Alouette 2 experiment as well as by applying the condition for the wave-particle nonlinear interactions. The electron density values reveal good agreement with the ion density values observed simultaneously by the highly sensitive ion mass spectrometer.

Oya, H.↗
NASA NTRS1983

A study of plasmaspheric density distributions for diffusive equilibrium conditions

The plasmaspheric density distribution has been modeled for a range of solar cycle, seasonal and diurnal conditions with a magnetic flux tube dependent diffusive equilibrium model by using experimentally determined values of ionospheric parameters at 675 km as boundary conditions. Data is presented in terms of plasmaspheric H(+) and He(+) density contours, total flux tube content, and equatorial plasma density for a range of L-values from 1.15 to 3.0. The variation of equatorial density with L-value shows good agreement with the 1/L exp 4 dependence observed experimentally. The results show that the model predicts larger solar cycle and diurnal variation in equatorial plasma density than observed using whistler techniques. However, the whistler method requires a model to deduce the equatorial density and is therefore open to interpretation. Seasonal variations are rather artificial since in this general model no attempt has been made to match equatorial densities for flux tubes emanating from the winter and summer hemispheres.

Li, W.↗
NASA NTRSDate not supplied

Microbial Communities in Microgravity: Simulation in Lab and on the Computer

Microorganisms grow differently in spaceflight than they do on Earth. While much remains unexplained about how microgravity affects microbial growth, one dominant hypothesis is that the lack of density-driven convection in the liquid growth environment makes mixing diffusion-limited, and therefore slower. This is supported by evidence that individual microbial strains experience starvation and acid stress in microgravity. However, if it is true, then microgravity would also have measurable effects on microbes in mixed communities, because many interspecies interactions involve the exchange of soluble metabolites through the medium (cross-feeding). Specifically, cooperative cross-feeding communities would grow more slowly in microgravity, and cooperation would be less stable on evolutionary timescales. Here we describe our efforts to test this hypothesis by simulating microgravity in silico and in the lab, using a model system of Eschericia coli and Salmonella enterica that grow only when they can exchange methionine and acetate. We created CAMDLES (CFD-DEM Artificial Microgravity Developments for Living Ecosystem Simulation) as an extension of CFDEM®coupling software, to carry out computational modeling of biological flows, growth, and mass transfer in microgravity and also in laboratory artificial microgravity devices (rotating wall vessels, RWV). Using CAMDLES, we found distinct differences in growth rates between RWV and true microgravity, and we were able to identify several features, such as spatial distribution, biofilm formation, and product yield parameters, that influence the degree to which RWV growth recapitulates microgravity growth. In addition, we report on the development of a laboratory system for monitoring growth rates and species ratios of the community in RWVs, using fluorescent strains. Pairing CAMDLES with the laboratory model system allows us to generate quantitative predictions about the effects of spaceflight on organisms that will be essential to sustaining human space exploration in the long term.

microbiology↗
NASA NTRS2001

Membrane rejection of nitrogen compounds

Rejection characteristics of nitrogen compounds were examined for reverse osmosis, nanofiltration, and low-pressure reverse osmosis membranes. The rejection of nitrogen compounds is explained by integrating experimental results with calculations using the extended Nernst-Planck model coupled with a steric hindrance model. The molecular weight and chemical structure of nitrogen compounds appear to be less important in determining rejection than electrostatic properties. The rejection is greatest when the Donnan potential exceeds 0.05 V or when the ratio of the solute radius to the pore radius is greater than 0.8. The transport of solute in the pore is dominated by diffusion, although convective transport is significant for organic nitrogen compounds. Electromigration contributes negligibly to the overall solute transport in the membrane. Urea, a small organic compound, has lower rejection than ionic compounds such as ammonium, nitrate, and nitrite, indicating the critical role of electrostatic interaction in rejection. This suggests that better treatment efficiency for organic nitrogen compounds can be obtained after ammonification of urea.

NASA Discipline Life Support Systems↗
DOE OSTI2025

Structural differences between human and mouse neurons and their implementation in generative AIs

Mouse and human brains have different functions that depend on their neuronal networks. We analyzed nanometer-scale three-dimensional structures of brain tissues of the mouse medial prefrontal cortex and compared them with structures of the human anterior cingulate cortex. The obtained results indicated that mouse neuronal somata are smaller and neurites are thinner than those of human neurons. We implemented these characteristics of mouse neurons in convolutional layers of a generative adversarial network (GAN) and a denoising diffusion implicit model (DDIM), which were then subjected to image generation tasks using photo datasets of cat faces, cheese, human faces, birds, and automobiles. The mouse-mimetic GAN outperformed a standard GAN in the image generation task using the cat faces and cheese photo datasets, but underperformed for human faces and birds. The mouse-mimetic DDIM gave similar results, suggesting that the nature of the datasets affected the results. Analyses of the five datasets indicated differences in their image entropy, which should influence the number of parameters required for image generation. The preferences of the mouse-mimetic AIs coincided with the impressions commonly associated with mice. The relationship between the neuronal network and brain function should be investigated by implementing other biological findings in artificial neural networks.

generative AI↗
NASA NTRS1997

The Implicit and Explicit alpha-mu Schemes

Artificial numerical dissipation is an important issue in large Reynolds number computations. In such computations, the artificial dissipation inherent in traditional numerical schemes can overwhelm the physical dissipation and yield inaccurate results on meshes of practical size. In the present work, the space-time conservation element and solution element method is used to construct new and accurate numerical schemes such that artificial numerical dissipation will not overwhelm physical dissipation. Specifically, these schemes have the property that numerical dissipation vanishes when the physical viscosity goes to zero. These new schemes therefore accurately model the physical dissipation even when it is extremely small. The method of space-time conservation element and solution element, currently under development, is a nontraditional numerical method for solving conservation laws. The method is developed on the basis of local and global flux conservation in a space-time domain, in which space and time are treated in a unified manner. Explicit solvers for model and fluid dynamic conservation laws have previously been investigated. In this paper, we introduce a new concept in the design of implicit schemes, and use it to construct two highly accurate solvers for a convection-diffusion equation. The two schemes become identical in the pure convection case, and in the pure diffusion case. The implicit schemes are applicable over the whole Reynolds number range, from purely diffusive equations to purely inviscid (convective) equations. The stability and consistency of the schemes are analyzed, and some numerical results are presented. It is shown that, in the inviscid case, the new schemes become explicit and their amplification factors are identical to those of the Leapfrog scheme. On the other hand, in the pure diffusion case, their principal amplification factor becomes the amplification factor of the Crank-Nicolson scheme. We also construct an explicit solver with the treatment of diffusion being based on that in the implicit solvers. The explicit solver has only a CFL stability limitation on the Courant number, yet it retains the second-order spatial accuracy of the implicit schemes.

Chang, Sin-Chung↗
NASA NTRS2005

NASA Tech Briefs, February 2005

Topics discussed include: Instrumentation for Sensitive Gas Measurements; Apparatus for Testing Flat Specimens of Thermal Insulation; Quadrupole Ion Mass Spectrometer for Masses of 2 to 50 Da; Miniature Laser Doppler Velocimeter for Measuring Wall Shear; Coherent Laser Instrument Would Measure Range and Velocity; Printed Microinductors for Flexible Substrates; Digital Receiver for Microwave Radiometry; Printed Antennas Made Reconfigurable by Use of MEMS Switches; Traffic-Light-Preemption Vehicle-Transponder Software Module; Intersection-Controller Software Module; Central-Monitor Software Module; Estimating Effects of Multipath Propagation on GPS Signals; Parallel Adaptive Mesh Refinement Library; Predicting Noise From Aircraft Turbine-Engine Combustors; Generating Animated Displays of Spacecraft Orbits; Diagnosis and Prognosis of Weapon Systems; Training Software in Artificial-Intelligence Computing Techniques; APGEN Version 5.0; Single-Command Approach and Instrument Placement by a Robot on a Target; Three-Dimensional Audio Client Library; Isogrid Membranes for Precise, Singly Curved Reflectors; Nickel-Tin Electrode Materials for Nonaqueous Li-Ion Cells; Photocatalytic Coats in Glass Drinking-Water Bottles; Fast Laser Shutters With Low Vibratory Disturbances; Series-Connected Buck Boost Regulators; Space Physics Data Facility Web Services; Split-Resonator, Integrated-Post Vibratory Microgyroscope; Blended Buffet-Load-Alleviation System for Fighter Airplane; Gifford-McMahon/Joule-Thomson Refrigerator Cools to 2.5 K; High-Temperature, High-Load-Capacity Radial Magnetic Bearing; Fabrication of Spherical Reflectors in Outer Space; Automated Rapid Prototyping of 3D Ceramic Parts; Tissue Engineering Using Transfected Growth-Factor Genes; Automation of Vapor-Diffusion Growth of Protein Crystals; Atom Skimmers and Atom Lasers Utilizing Them; Gears Based on Carbon Nanotubes; Patched Off-Axis Bending/Twisting Actuators for Thin Mirrors; and Improving Control in a Joule-Thomson Refrigerator.

Source record↗
NASA NTRS1987

Energy diffusion of pickup ions upstream of comets

A steady state model of pickup ion energization upstream of a cometary bow wave is presented in order to investigate the effects of quasi-linear energy diffusion in the turbulence there. The model assumes that the ions are immediately isotropized at pickup, and it includes the effects of adiabatic acceleration in the slowing solar wind and of continual pickup of ions as the comet is approached. By taking all physical quantities to fall off as power laws with distance from the comet, an analytical expression is obtained for the distribution function of pickup ions in the reference frame moving with the solar wind. To illustrate the application of this model, the model results are compared to the observations of pickup ions at comet Giacobini-Zinner. At present, this is the only cometary encounter for which sufficient quantitative information is available. The model does not compare well with these observations, but it is not clear whether the differences are due to artificial problems in the model or the data analysis or to the action of other energization processes at this comet. Preliminary results from the Halley encounters appear to agree more closely with this model.

Isenberg, Philip A.↗
NASA NTRS1999

The Influence of Static and Rotating Magnetic Fields on Heat and Mass Transfer in Silicon Floating Zones

Hear and mass transfer in float-zone processing are strongly influenced by convective flows in the zone. They are caused by buoyancy convection, thermocapillary (Marangoni) convection, or artificial sources such as rotation and radio frequency heating. Flows in conducting melts can be controlled by the use of magnetic fields, either by damping fluid motion with static fields or by generating a def@ned flow with rotating fields. The possibilities of using static and rotating magnetic fields in silicon floating-zone growth have been investigated by experiments in axial static fields up to ST and in transverse rotating magnetic fields up to 7.S mT. Static fields of a few 100 MT already suppress most striations but are detrimental to the radial segregation by introducing a coring effect. A complete suppression of dopant striations caused by time-dependent thermocapillary convection and a reduction of the coring to insignificant values, combined with a shift of the axial segregation profile towards a more diffusion-limited case, is possible with static fields ? 1T. However, under certain conditions the use of high axial magnetic fields can lead to the appearance of a new type of pronounced dopant striations, caused by thermoelec:romagnetic convection. The use of a transverse rotating magnetic field influences the microscopic segregation at quite low inductions, of the order of a few mT. The field shifts time-dependent flows and the resulting striation patterns from a broad range of low frequencies at high amplitudes to a few high frequencies at low amplitudes

Croell, Arne↗
NASA NTRS1999

The Influence of Static and Rotating Magnetic Fields on Heat and Mass Transfer in Silicon Floating Zones

Heat and mass transfer in float-zone processing are strongly influenced by convective flows in the zone. They are caused by buoyancy convection, thermocapillary (Marangoni) convection, or artificial sources such as rotation and radio-frequency heating. Flows in conducting melts can be controlled by the use of magnetic fields, either by damping fluid motion with static fields or by generating a defined flow with rotating fields. The possibilities of using static and rotating magnetic fields in silicon floating-zone growth have been investigated by experiments in axial static fields up to 5 T and in transverse rotating magnetic fields up to 7.5 mT. Static fields of a few 100 mT already suppress most striations but are detrimental to the radial segregation by introducing a coring effect. A complete suppression of dopant striations caused by time-dependent thermocapillary convection and a reduction of the coring to insignificant values, combined with a shift of the axial segregation profile toward a more diffusion-limited case, is possible with static fields greater than or equal to 1 T. However, under certain conditions the use of high axial magnetic fields can lead to the appearance of a new type of pronounced dopant striations, caused by thermoelectromagnetic convection. The use of a transverse rotating magnetic field influences the microscopic segregation at quite low inductions, of the order of a few millitesla. The field shifts time- dependent flows and the resulting striation patterns from a broad range of low frequencies at high amplitudes to a few high frequencies at low amplitudes.

Croll, A.↗
NASA NTRS1995

Two-stream modeling of plasmaspheric refilling

Plasmaspheric refilling on an L = 4 flux tube was studied by using a time-dependent, hydrodynamic plasmaspheric flow model in which the ion streams from the two hemispheres are treated as distinct fluids. In the model the continuity, momentum, and energy equations of a two-ion (O(+) and H(+)), quasi-neutral, currentless plasma are solved along a closed geomagnetic field line; diffusive equilibrium is not assumed. collisions between all stream pairs and with neutral species are included. The model includes a corotating, tilted dipole magnetic field and neutral winds. Ionospheric sources and sinks are accounted for in a self-consistent manner. Electrons are assumed to be heated by photoelectrons. The model flux tube extends from a 200-km altitude in one hemisphere to a 200-km altitude in the other hemisphere. Initially, the upwelling streams pass through each other practically unimpeded. When the streams approach the boundary in the conjugate ionosphere, a shock develops there, which moves upward and dissipates slowly; at about the same time a reverse shock develops in the hemisphere of origin, which moves upward. After about 1 hour, large shocks develop in each stream near the equator; these shocks move toward the equator and downward after crossing the equator. However, these shocks are probably artificial, because counterstreaming flows occur in each H(+) fluid, which the model can only handle by creating shocks.

Guiter, S. M.↗
DOE OSTI2025

Glancing Angle Deposition in Gas Sensing: Bridging Morphological Innovations and Sensor Performances

Glancing Angle Deposition (GLAD) has emerged as a versatile and powerful nanofabrication technique for developing next-generation gas sensors by enabling precise control over nanostructure geometry, porosity, and material composition. Through dynamic substrate tilting and rotation, GLAD facilitates the fabrication of highly porous, anisotropic nanostructures, such as aligned, tilted, zigzag, helical, and multilayered nanorods, with tunable surface area and diffusion pathways optimized for gas detection. This review provides a comprehensive synthesis of recent advances in GLAD-based gas sensor design, focusing on how structural engineering and material integration converge to enhance sensor performance. Key materials strategies include the construction of heterojunctions and core–shell architectures, controlled doping, and nanoparticle decoration using noble metals or metal oxides to amplify charge transfer, catalytic activity, and redox responsiveness. GLAD-fabricated nanostructures have been effectively deployed across multiple gas sensing modalities, including resistive, capacitive, piezoelectric, and optical platforms, where their high aspect ratios, tailored porosity, and defect-rich surfaces facilitate enhanced gas adsorption kinetics and efficient signal transduction. These devices exhibit high sensitivity and selectivity toward a range of analytes, including NO2, CO, H2S, and volatile organic compounds (VOCs), with detection limits often reaching the parts-per-billion level. Emerging innovations, such as photo-assisted sensing and integration with artificial intelligence for data analysis and pattern recognition, further extend the capabilities of GLAD-based systems for multifunctional, real-time, and adaptive sensing. Finally, current challenges and future research directions are discussed, emphasizing the promise of GLAD as a scalable platform for next-generation gas sensing technologies.

Chemistry↗
NASA NTRS1999

On Multi-Dimensional Unstructured Mesh Adaption

Anisotropic unstructured mesh adaption is developed for a truly multi-dimensional upwind fluctuation splitting scheme, as applied to scalar advection-diffusion. The adaption is performed locally using edge swapping, point insertion/deletion, and nodal displacements. Comparisons are made versus the current state of the art for aggressive anisotropic unstructured adaption, which is based on a posteriori error estimates. Demonstration of both schemes to model problems, with features representative of compressible gas dynamics, show the present method to be superior to the a posteriori adaption for linear advection. The performance of the two methods is more similar when applied to nonlinear advection, with a difference in the treatment of shocks. The a posteriori adaption can excessively cluster points to a shock, while the present multi-dimensional scheme tends to merely align with a shock, using fewer nodes. As a consequence of this alignment tendency, an implementation of eigenvalue limiting for the suppression of expansion shocks is developed for the multi-dimensional distribution scheme. The differences in the treatment of shocks by the adaption schemes, along with the inherently low levels of artificial dissipation in the fluctuation splitting solver, suggest the present method is a strong candidate for applications to compressible gas dynamics.

Wood, William A.↗