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At least 217 records · Page 12

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DOE OSTI2026

Size dependent lattice pseudosymmetry for frustrated decahedral nanoparticles

Geometric frustration—where geometry prevents simultaneous satisfaction of local interactions—generates pseudosymmetry and emergent behaviors across physical and biological systems. At the nanoscale, pseudosymmetric features in crystalline materials manifest as local strain and distortion, but how they depend on particle size and control structural stability remains unclear. Here, we report the first study of a size-dependent crossover in pseudosymmetry in multi-twinned gold nanoparticles (NPs), combining four-dimensional scanning transmission electron microscopy with nanoscale strain mapping grounded in continuum solid mechanics. Analysis of more than 20 decahedral NPs (20–55 nm) reveals pronounced heterogeneity in multiple modes of in-plane strain and displacement field in small NPs as five tetrahedral grains close the geometric gap, without extended defects. With increasing particle size, strain fields homogenize across grains and local phases shift from predominantly low-symmetry body-centered tetragonal motifs at small sizes to face-centered cubic character approaching the bulk limit. We identify a crossover particle size of ~35 nm, well below bulk, correlating with a transition from modified-Wulff shapes to pentagonal bipyramids, consistent with finite element predictions. This quantitative framework for mapping size-dependent strain and pseudosymmetry enables precise design and control of functional crystalline solids and phase transformation for catalysis, photonics, electronics, and energy storage.

Lin, Oliver [University of Illinois at Urbana-Cham↗

DOE OSTI2024

Observing one-divalent-metal-ion-dependent and histidine-promoted His-Me family I-PpoI nuclease catalysis in crystallo

Metal-ion-dependent nucleases play crucial roles in cellular defense and biotechnological applications. Time-resolved crystallography has resolved catalytic details of metal-ion-dependent DNA hydrolysis and synthesis, uncovering the essential roles of multiple metal ions during catalysis. The histidine-metal (His-Me) superfamily nucleases are renowned for binding one divalent metal ion and requiring a conserved histidine to promote catalysis. Many His-Me family nucleases, including homing endonucleases and Cas9 nuclease, have been adapted for biotechnological and biomedical applications. However, it remains unclear how the single metal ion in His-Me nucleases, together with the histidine, promotes water deprotonation, nucleophilic attack, and phosphodiester bond breakage. By observing DNA hydrolysis in crystallo with His-Me I-PpoI nuclease as a model system, we proved that only one divalent metal ion is required during its catalysis. Moreover, we uncovered several possible deprotonation pathways for the nucleophilic water. Interestingly, binding of the single metal ion and water deprotonation are concerted during catalysis. Our results reveal catalytic details of His-Me nucleases, which is distinct from multi-metal-ion-dependent DNA polymerases and nucleases.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1972

Speed-dependent collisional width and shift parameters in spectral profiles.

Derivation of an expression for the spectral profile, termed a speed-dependent Voigt profile (SDVP), taking into account speed-dependent shift and width parameters which are calculated on the basis of an active atom-perturber interaction. It is shown that an analysis of line shapes in terms of simple Voigt profiles (rather than the SDVP) may lead to considerable errors in the determination of characteristic atomic parameters, especially in systems where the perturber to active atom mass ratio is large. It is also noted that the speed-dependent shift leads to an asymmetrical profile, and such a profile is displayed.

Berman, P. R.↗

NASA NTRS1973

The turbulent mean-flow, Reynolds-stress, and heat flux equations in mass-averaged dependent variables

The time-dependent, turbulent mean-flow, Reynolds stress, and heat flux equations in mass-averaged dependent variables are presented. These equations are given in conservative form for both generalized orthogonal and axisymmetric coordinates. For the case of small viscosity and thermal conductivity fluctuations, these equations are considerably simpler than the general Reynolds system of dependent variables for a compressible fluid and permit a more direct extension of low speed turbulence modeling to computer codes describing high speed turbulence fields.

Rubesin, M. W.↗

NASA NTRS1973

Continuous dependence of fixed points of condensing maps

Many problems in analysis are concerned with the dependence upon parameters of fixed points of maps. For contraction mappings, criteria are relatively easy to obtain and have been known for some time. In the study of solutions of functional differential equations, more general results were needed. It is the purpose of this paper to give a rather general fixed-point theorem for condensing maps depending on a parameter, to prove continuous dependence and to indicate how many of the previous results are special cases.

Hale, J. K.↗

NASA NTRS1972

Temperature-dependent transmission and self-indication measurements upon depleted U in the unresolved region

Neutron transmission and self-indication ratio measurements have been carried out at the RPI LINAC on depleted U up to 100 KeV in order to investigate the temperature dependence of resonance self-shielding. These measurements were performed at three sample temperatures (77 deg k, 295 deg k, and 973 deg k) and with sample thicknesses ranging from 0.0076 to 0.0621 atom/barn. Both stochastic sampling and analytical methods have been used to interpret these data. Average resonance parameters have been obtained and temperature dependence as well as sample thickness dependence of the data have been extensively studied.

Byoun, T. Y.↗

NASA NTRS1973

Power law time dependence of river flood decay and its relationship to long term discharge frequency distribution

Investigations have continued into the possibility that significant information on stream flow rates can be obtained from aerial and satellite imagery of river meander patterns by seeking a correlation between the meander and discharge spectra of rivers. Such a correlation could provide the basis for a simple and inexpensive technique for remote sensing of the water resources of large geographical areas, eliminating the need for much hydrologic recording. The investigation of the nature of the meander and discharge spectra and their interrelationship can also contribute to a more fundamental understanding of the processes of both river meander formation and drainage of large basins. It has been found that floods decay with an inverse power law dependence on time. The exponent of this dependence varies from river to river and even from station to station along the same river. This power law time dependence makes possible the forecasting of river discharge with an uncertainty of about 5% for as long as a month following the flood peak.

Schubert, G.↗

NASA NTRS1974

Motion of magnetospheric particle clouds in a time-dependent electric field model

A computer code has been developed to study quantitatively the drift motion of magnetospheric particles in a time-dependent electric field. These calculations were applied to the case of proton and electron injections from the plasma sheet during substorms; the model predictions were checked against observations on board the geosynchronous satellite ATS 5 by DeForest and McIlwain (1971). It was found that it is possible to simulate the observed proton spectrograms with an adequate choice of a time-dependent electric field model. The resulting kinematics is physically quite simple and in its gross features does not depend too strongly on the particular fine structure of the model.

Roederer, J. G.↗

NASA NTRS1975

Waveguide CO2 laser gain: Dependence on gas kinetic and discharge properties

Using a simple rate equation approach the gas kinetic and discharge properties of waveguide CO2 lasers were examined. The dependence was calculated of the population inversion and laser small signal gain on gas pressure, gas mixture, pumping rate (discharge current), tube bore diameter, and wall temperature. At higher pressures the gain is optimized by using more helium rich mixtures and smaller bore diameters. The dependence of laser tunability on the gas kinetic properties and cavity losses was determined, it was found that for loss cavities the laser tunability may substantially exceed the molecular fullwidth at half maximum. The more helium rich gas mixtures give greater tunability when cavity losses are small and less tunability when cavity losses are large. The role of the various gases in the waveguide CO2 laser is the same as that in conventional devices, by contrast with conventional lasers, the waveguide laser transition is homogeneously broadened. The dependence of gain on gas pressure and other kinetic and discharge properties differs substantially from that predicted by scaling results from conventional low pressure lasers.

Cohen, S. C.↗

NASA NTRS1974

The latitude dependencies of the solar wind

The motion of spacecraft following the earth's orbit occurs within the solar latitude range of 7 deg 15 min N on approximately September 7 to 7 deg 15 min S on approximately March 6. The latitude dependencies so far detected within this range have shown that the photospheric dipole-like field of the sun makes very important contributions to the interplanetary magnetic field (IMF) observed near the ecliptic. Changes in geomagnetic activity from even to odd numbered 11-year solar cycles are related to changes in the sun's dipolar field. The north-south IMF component and meridional, nonradial flow are important to a complete understanding of steady-state solar wind dynamics. Coronal conditions must be latitude-dependent in a way that accounts for the observed latitude dependence of the velocity and density of the solar wind.

Rosenberg, R. L.↗

NASA NTRS1975

A time-dependent diffusion-convection model for the long-term modulation of cosmic rays

The model considered incorporates, to first order, the direct effects of the time-dependent diffusive propagation of interstellar cosmic rays in a slowly changing interplanetary medium. A one-dimensional model is discussed along with a three-dimensional radial wind. An evaluation is conducted of average diffusive propagation times. It is found that the effects of time-dependent diffusive propagation can be quite significant. A rigidity-dependent time delay or 'lag' in the modulated spectra is predicted.

Ogallagher, J. J.↗

NASA NTRS1976

Time dispersion of energetic solar particles, unexpected velocity and species dependence

The intensity-time behavior for protons and helium, as well as for carbon, oxygen and iron ions was measured following the 1974 September 19 solar flare for energies between 0.5 and approximately 5 MeV per nucleon. The profiles displayed a time dispersion which is inversely proportional to velocity for each individual species. In addition, at a given velocity the time dispersion also depended on the charge to mass ratio of the ion. Based on this latter dependence, it was concluded that while carbon and oxygen are essentially fully stripped, iron nuclei are not, having an effective charge Q = 10 + or - 5. The observed dispersion cannot be explained by purely rigidity dependent diffusive propagation.

Gallagher, J. J.↗

NASA NTRS1975

Resonance-line transfer with partial redistribution. VII Angle-dependent redistribution

A method is presented for treating radiative transfer in resonance lines, allowing for the full angle and frequency dependence of redistribution in the scattering process, as seen in the laboratory frame. The case of an equivalent-two-level-atom source function is considered; the problem to be treated is then linear in the radiation field. We apply this method to the Ca II lines in the solar atmosphere, using a redistribution function which takes into account a mixture of coherence in the atom's frame, with Doppler redistribution in the laboratory frame (for atoms which have not suffered an elastic collision), and of complete redistribution in the laboratory frame (for atoms that are collisionally perturbed during the emission process). Both the angle-averaged approximation and the full angle-dependent solution were obtained, and were compared to assess, differentially, the effects of angular redistribution upon the computed line profile and its center-to-limb behavior. For the Ca II line in a homogeneous solar chromosphere the angle-dependent effects are found to be negligible, indicating that one may use angle-averaged redistribution functions when studying partial redistribution effects in line profiles.

Milkey, R. W.↗

NASA NTRS1975

Rate and time dependent failure of structural adhesives

Studies on two adhesives (Metlbond 1113 and 1113-2) identified as having important applications in the bonding of composite materials are presented. A testing program to ascertain stress-strain, strain-rate, time, yield, and/or failure behavior of these materials in bulk form using uniaxial tensile constant strain-rate, creep, and relaxation tests is described. The stress-strain behavior of each material is shown to be significantly rate dependent. A rate dependent stress whitening (crazing) phenomenon occurs prior to either yield or fracture. A region of linear elasticity, a region of viscoelasticity, and the onset of yielding are identified in the stress-strain behavior. The linear elastic limit and the yield point are shown to be rate dependent and agree well with an empirical equation proposed by Ludwik. A creep to failure phenomenon is shown to exist and is correlated with a delayed yield equation proposed by Crochet. Analytical predictions based on a modified Bingham model are shown to agree well with experimental stress-strain strain-rate data. Analytical predictions based on a modified Ramberg-Osgood equation are also shown for comparison purposes.

Brinson, H. F.↗

NASA NTRS1975

Time dependences of the 0.51 and 2.2 MeV lines in solar flares

The time dependence of the 0.51 MeV line in solar flares is determined by the following factors: variation with time of the rate of nuclear reactions which produce the positron emitters; mean lives of the positron emitters; slowing-down of the positrons which depends on the ambient density and magnetic field; and annihilation or positronium formation times of the positrons with free or bound electrons. The discussion is limited to the observed intensity-time profile of a 0.35-8 MeV gamma-ray emission and of a 0.51-MeV line calculated for three different ambient densities in the annihilation region. Major conclusions are that (1) MeV electrons and protons of at least 30 MeV/nuc have similar time dependences and hence a common origin in the flare region, which support a two-phase acceleration model in solar flares; and (2) the delayed character of the 0.51-MeV emission is clearly defined, where at a time when the rate of nuclear reactions is zero, there still is considerable 0.51-MeV emission.

Ramaty, R.↗

NASA NTRS1976

Waveguide CO2 laser gain - Dependence on gas kinetic and discharge properties

A simple rate-equation approach is used to examine the gas-kinetic and discharge properties of waveguide CO2 lasers. The dependence of the population inversion and laser small-signal gain on gas pressure, gas mixture, pumping rate (discharge current), tube bore diameter, and wall temperature is calculated along with the dependence of laser tunability on the gas-kinetic properties and cavity losses. It is found that for low-loss cavities, the laser tunability may substantially exceed the molecular full width at half-maximum. Furthermore, the more helium-rich gas mixtures give greater tunability when cavity losses are small, and less tunability when cavity losses are large. By contrast with conventional lasers, the waveguide-laser transition is homogeneously broadened. Thus, the dependence of gain on gas pressure and other kinetic properties differs substantially from that predicted by scaling results from conventional low-pressure lasers.

Cohen, S. C.↗

NASA NTRS1976

Mantle plumes - A boundary layer approach for Newtonian and non-Newtonian temperature-dependent rheologies

Stress is placed on the temperature dependence of both a linear Newtonian rheology and a nonlinear olivine rheology in accounting for narrow mantle flow structures. The boundary-layer theory developed incorporates an arbitrary temperature-dependent power-law rheology for the medium, in order to facilitate the study of mantle plume dynamics under real conditions. Thermal, kinematic, and dynamic structures of mantle plumes are modelled by a two-dimensional natural-convection boundary layer rising in a fluid with a temperature-dependent power-law relationship between shear stress and strain rate. An analytic similarity solution is arrived at for upwelling adjacent to a vertical isothermal stress-free plane. Newtonian creep as a deformation mechanism, thermal anomalies resulting from chemical heterogeneity, the behavior of plumes in non-Newtonian (olivine) mantles, and differences in the dynamics of wet and dry olivine are discussed.

Yuen, D. A.↗

NASA NTRS1976

Time dispersion of energetic solar particles - Unexpected velocity and species dependence

The intensity-time behavior for protons and alpha-particles, as well as for carbon, oxygen, and iron ions, has been measured following the solar flare of September 19, 1974, for energies between 0.5 and about 5 MeV per nucleon. The profiles display a time dispersion which is inversely proportional to velocity for each individual species. In addition, at a given velocity the time dispersion also depends on the charge-to-mass ratio of the ion. Based on this latter dependence, it is concluded that while carbon and oxygen are essentially fully stripped, iron nuclei are not, having an effective charge of 10 plus or minus 5. The observed dispersion cannot be explained by purely rigidity-dependent diffusive propagation.

Ogallagher, J. J.↗