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At least 73 records · Page 4

Accuracy of the energy-corrected sudden (ECS) scaling procedure for rotational excitation of CO by collisions with Ar

The utility of the energy-corrected sudden (ECS) scaling method is evaluated on the basis of how accurately it predicts the entire matrix of state-to-state rate constants, when the fundamental rate constants are independently known. It is shown for the case of Ar-CO collisions at 500 K that when a critical impact parameter is about 1.75-2.0 A, the ECS method yields excellent excited state rates on the average and has an rms error of less than 20 percent.

Green, S.↗

Viscosity bounds in liquids with different structure and bonding types

Recently, it was realized that liquid viscosity has a lower bound which is nearly constant for all liquids and is governed by fundamental physical constants. This was supported by experimental data in noble and molecular liquids. Here, we perform large-scale molecular dynamics simulations to ascertain this bound in two other important liquid types: the ionic molten salt system LiF and metallic Pb. We find that these ionic and metallic systems similarly have lower viscosity bounds corresponding to the minimum of kinematic viscosity of ∼ 10 − 7 m 2 / s . We show that this agrees with experimental data in other systems with different structures and bonding types, including noble, molecular, metallic, and covalent liquids. This expands the universality of viscosity bounds into the main system types known. Published by the American Physical Society 2024

Materials Science↗

Expressions for the precession quantities based upon the IAU /1976/ system of astronomical constants

The structure of the expressions usually employed in calculating the effects of precession is examined, and a method is outlined for revising the expressions to account for changes in the fundamental astronomical constants. It is shown that the basic set of parameters, upon which depend the lengthy polynomials for computing the mean obliquity of data and the elements of the precession matrix, consists of the mean obliquity, the speed of general precession in longitude at a fixed epoch, and the system of planetary masses. Special attention is given to the motion of the ecliptic pole, formulations for a basic epoch as well as an arbitrary epoch, and ecliptic motion relative to the basic epoch. Numerical precession quantities at epoch J2000.0 (JED 2451545.0) are presented which result from the revision of astronomical constants adopted at the XVI General Assembly of the IAU.

Lieske, J. H.↗

The Possible Interstellar Anion CH2CN-: Spectroscopic Constants, Vibrational Frequencies, and Other Considerations

The A 1B1 <-1A0 excitation into the dipole-bound state of the cyanomethyl anion (CH2CN􀀀) has been hypothesized as the carrier for one di use interstellar band. However, this particular molecular system has not been detected in the interstellar medium even though the related cyanomethyl radical and the isoelectronic ketenimine molecule have been found. In this study we are employing the use of proven quartic force elds and second-order vibrational perturbation theory to compute accurate spectroscopic constants and fundamental vibrational frequencies for ~X 1A0 CH2CN􀀀 in order to assist in laboratory studies and astronomical observations. Keywords: Astrochemistry, ISM: molecular anions, Quartic force elds, Rotational constants, Vibrational frequencies

Astrochemistry↗

The quadrupole coupling constant of HNC

The letter reports resolved measurements of the quadrupole hyperfine structure of HNC (hydrogen isocyanide). These measurements were made in the direction of the cool interstellar dust cloud L134, and were used to make an experimental determination of a fundamental spectroscopic constant of HNC, its quadrupole coupling constant.

Snyder, L. E.↗

Analysis of the interaction of a laser pulse with a silicon wafer - Determination of bulk lifetime and surface recombination velocity

The decay of excess minority carriers produced in a silicon wafer of thickness d by a laser pulse is analyzed. A comprehensive theory based on this analysis is presented for the determination of bulk lifetime Tau(b) and surface recombination velocity S. It is shown that, starting with an exponential spatial profile, the carrier profile assumes a spatially symmetrical form after approximately one time constant of the fundamental mode of decay. Expressions for the spatial average of the carrier density as a function of time are derived for three temporal laser pulse shapes: impulse, square, and Gaussian. Particular attention is paid to the time constants of the fundamental and higher modes of decay. The ratios of the time constants of the higher modes to the fundamental mode, as well as the time constant of the fundamental mode, are presented over wide ranges of values of S and d. For Sd less than about 40 sq cm/s, a two-wafer method is developed to determine Tau(b) and S; it is also shown that the requirement of d/Tau(b) greater than about 20S is sufficient to adequately guarantee that the asymptotic value of the instantaneous observed lifetime differs from the bulk lifetime by no more than 10 percent.

Luke, Keung L.↗

Effects of renormalon scheme and perturbative scale choices on determinations of the strong coupling from e + e − event shapes

We study the role of renormalon cancellation schemes and perturbative scale choices in extractions of the strong coupling constant α s ( m Z ) and the leading nonperturbative shift parameter Ω 1 from resummed predictions of the e + e − event shape thrust. We calculate the thrust distribution to N L 3 L ′ resummed accuracy in soft-collinear effective theory (SCET) matched to the fixed-order O ( α s 2 ) prediction, and perform a new high-statistics computation of the O ( α s 3 ) matching in , although we do not include the latter in our final α s fits due to some observed systematics that require further investigation. We are primarily interested in testing the phenomenological impact sourced from varying amongst three renormalon cancellation schemes and two sets of perturbative scale profile choices. We then perform a global fit to available data spanning center-of-mass energies between 35–207 GeV in each scenario. Relevant subsets of our results are consistent with prior SCET-based extractions of α s ( m Z ) , but we are also led to a number of novel observations. Notably, we find that the combined effect of altering the renormalon cancellation scheme and profile parameters can lead to few-percent-level impacts on the extracted values in the α s − Ω 1 plane, indicating a potentially important systematic theory uncertainty that should be accounted for. We also observe that fits performed over windows dominated by dijet events are typically of a higher quality than those that extend into the far tails of the distributions, possibly motivating future fits focused more heavily in this region. Finally, we discuss how different estimates of the three-loop soft matching coefficient c S ˜ 3 can also lead to measurable changes in the fitted { α s , Ω 1 } values. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Novel insight into the kinetics of amide bond glycolysis for nylon-6 depolymerization

Chemical recycling of nylon-6 to short-chain oligomers and monomer ε-caprolactam via catalytic glycolysis is a potential solution for plastic waste remediation. Here, in this work, the kinetics of amide bond glycolysis (with ethylene glycol) in nylon-6 and the model compound N-phenethyl-3-phenylpropanamide (M1) were evaluated at 473 K in the presence of the cyclic amidine catalyst 1,5,7-triazabicyclo[4.4.0]dec-5-ene. Rates of polymer glycolysis were determined by the time-dependent shift in molecular weight distribution, whereas rates of M1 glycolysis were determined using liquid chromatography. The similarity of the first-order rate constants for glycolysis of nylon-6 and M1 at 473 K with 0.03 M amidine catalyst (5 mol% relative to amide bonds), 1.22 × 10 −5 s −1 and 2.18 × 10 −5 s −1 , respectively, confirmed the suitability of M1 as a model compound for nylon-6 glycolysis. Similar rates of glycolysis in the presence of other cyclic amidine catalysts as well as sodium methoxide revealed little influence of base strength. Glycolysis rates were unexpectedly non-linear in catalyst loading and deactivation occurred with long reaction times, presumably by non-selective decomposition of products as detected by liquid chromatography.

Depolymerization rate and rate constant↗

On the theory of nonhomogeneous nonequilibrium superconductivity in 2D systems with massless fermions

Here we analyze static and nonequilibrium superconducting properties of a 2D relativistic-like model system with local electron-electron interaction, Rashba spin-orbit interaction αR in presence of time-dependent in-plane magnetic field H(t). It is shown that similar to the 2D case with ordinary massive quasiparticle dispersion ε(k)~|k| 2 at large fields, such a system demonstrates a nonhomogeneous superconducting stripe phase with the order parameter Δ(r)=Δ(0)cos(2[μ B B×r]n/$\hbarυ_F$) (B is the magnetic induction, υF is the Fermi velocity, n is the normal to the plane, μ B is the Bohr magneton, and αR$\ll$υF) where the stripes are oriented along the B direction. In the considered system, the inter-stripe period L and the magnitude of the magnetic field B are related by a universal relation BL=$\hbarυ_F$/μ B ≃0.714∙10 -4 Tm. Contrary to the case of massive quasiparticles, where the condition α R ~υ F can be, in principle, satisfied by increasing α R or by charge doping (Fermi velocity decreasing), in a relativistic-like system, where υF is doping-independent and one-two orders of magnitude larger than typical Fermi velocity in the “standard” 2D systems, the stripe phase can be the ground state at a rather low doping level. We also analyzed the nonequilibrium properties of the system with a focus on the melting of the stripe order (when the magnetic field is quenched to a lower value) and stripe dynamics (when the field is rotated by 90° degrees) and found several notable results. In particular, it was shown that the stripe domains melt according to law R~1$\sqrt{t}$ at initial times, while at longer times they shrink exponentially. In the case of the flipped magnetic field, the stripe orientation gradually turns from x- to y-direction, and the intermediate “crossed-stripe” phase takes place during times of order of picoseconds. Such a crossed phase is built of periodic superconducting bubbles that potentially may have applications in modern ultrafast superconducting technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Hall instability driven seeding of helical magneto-Rayleigh–Taylor instabilities in axially premagnetized thin-foil liner Z-pinch implosions

Helical magneto-Rayleigh–Taylor instability (MRTI) structures have been observed in z-pinch-driven liner implosion experiments with a pre-imposed axial magnetic field. We show that the formation of these helical structures can be described by a Hall magnetohydrodynamical (HMHD) model. We used the 3D extended magnetohydrodynamics simulation code PERSEUS (which includes Hall physics) [Seyler and Martin, Phys. Plasmas 18, 012703 (2011)] to study these helical instabilities and show that a Hall interchange instability in low-density coronal plasma immediately surrounding the dense liner is responsible for producing helically oriented effects in the magnetic field and current density within the coronal layer. Here, this seeds the helical pitch angle of the MRTI even when other proposed helical seeding mechanisms are either not present in the experiments or not accounted for in the simulations. For example, this mechanism does not require low-density power-feed plasmas to be swept in from large radius or the development of electrothermal instabilities. The Hall Instability is, thus, a new, independent explanation for the origin of the helical instabilities observed in axially premagnetized liner experiments. Simulation results supporting this mechanism are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Atomic isotropic hyperfine properties for second row elements (Al–Cl)

Isotropic hyperfine properties have been obtained for the second row elements Al–Cl using a systematic composite approach consisting of a sequence of core/valence correlation consistent basis sets, up through aug-cc-pCV7Z, along with configuration interaction and coupled cluster methods. The best nonrelativistic final values for the atomic ground states (in MHz) are -1.80 27 Al ( 2 P o 1/2 ), -24.31 29 Si ( 3 P 0 ), 63.70 31 P ( 4 So 3/2 ), 20.77 33 S ( 3 P 2 ), and 35.42 35 Cl ( 2 P o 3/2 ). We find a large K shell contribution to the spin density at the nucleus that is almost canceled by the L and M shell contributions. The spin density in atomic units is approximately linear with respect to the atomic number.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling the electron cyclotron emission radiation signature from suprathermal electrons in a tokamak

An Electron Cyclotron Emission (ECE) modeling code has been developed to model ECE radiation with an arbitrary electron momentum distribution, a small oblique angle, both ordinary (O-mode) and extraordinary polarizations (X-mode), and multiple cyclotron frequency harmonics. The emission and absorption coefficients are calculated using the Poynting theorem from the cold plasma dispersion and the electron–microwave interaction from the full anti-Hermitian tensor. The modeling shows several ECE radiation signatures that can be used to diagnose the population of suprathermal electrons in a tokamak. First, in an n = 2 X-mode (X2) optically thick plasma and oblique ECE view, the modeling shows that only suprathermal electrons, which reside in a finite region of the velocity and space domains, can effectively generate cyclotron emissions to the ECE receiver. The code also finds that the O1 mode is sensitive to suprathermal electrons of both a high v ⊥ and v || , while the X2 mode is dominantly sensitive to suprathermal electrons of a high v ⊥ . Finally, the modeling shows that an oblique ECE system with both X/O polarization and a broad frequency coverage can be used to effectively yield information of the suprathermal electron population in a tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Luminosity determination using Z boson production at the CMS experiment

The measurement of Z boson production is presented as a method to determine the integrated luminosity of CMS data sets. The analysis uses proton–proton collision data, recorded by the CMS experiment at the CERN LHC in 2017 at a center-of-mass energy of 13 TeV. Events with Z bosons decaying into a pair of muons are selected. The total number of Z bosons produced in a fiducial volume is determined, together with the identification efficiencies and correlations from the same data set, in small intervals of 20 pb –1 of integrated luminosity, thus facilitating the efficiency and rate measurement as a function of time and instantaneous luminosity. Using the ratio of the efficiency-corrected numbers of Z bosons, the precisely measured integrated luminosity of one data set is used to determine the luminosity of another. For the first time, a full quantitative uncertainty analysis of the use of Z bosons for the integrated luminosity measurement is performed. The uncertainty in the extrapolation between two data sets, recorded in 2017 at low and high instantaneous luminosity, is less than 0.5%. We show that the Z boson rate measurement constitutes a precise method, complementary to traditional methods, with the potential to improve the measurement of the integrated luminosity.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Goddard astronomic and geodynamic parameters

Goddard astronomic and geodynamic parameters including fundamental astronomical constants, gravitational harmonic coefficients, station locations, and other geometric quantities

Siry, J. W.↗

Water vapor - The wet blanket of microwave interferometry

The various techniques that utilize microwave interferometry could be employed to determine distances of several thousand kilometers with an accuracy of 1 cm or 2 cm. Such measurements would be useful to obtain new knowledge of earth dynamics, greater insight into fundamental astronomical constants, and the ability to accurately navigate a spacecraft in interplanetary flight. There is, however, a basic problem, related to the presence of tropospheric water vapor, which has to be overcome before such measurements can be realized. Differing amounts of water vapor over the interferometer stations cause errors in the differential time of arrival which is the principal observable quantity. Approaches for overcoming this problem are considered, taking into account requirements for water vapor calibration to support interferometric techniques.

Resch, G. M.↗

HRMA calibration handbook: EKC gravity compensated XRCF models

This document, consisting of hardcopy printout of explanatory text, figures, and tables, represents one incarnation of the AXAF high resolution mirror assembly (HRMA) Calibration Handbook. However, as we have envisioned it, the handbook also consists of electronic versions of this hardcopy printout (in the form of postscript files), the individual scripts which produced the various figures and the associated input data, the model raytrace files, and all scripts, parameter files, and input data necessary to generate the raytraces. These data are all available electronically as either ASCII or FITS files. The handbook is intended to be a living document and will be updated as new information and/or fabrication data on the HRMA are obtained, or when the need for additional results are indicated. The SAO Mission Support Team (MST) is developing a high fidelity HRMA model, consisting of analytical and numerical calculations, computer software, and databases of fundamental physical constants, laboratory measurements, configuration data, finite element models, AXAF assembly data, and so on. This model serves as the basis for the simulations presented in the handbook. The 'core' of the model is the raytrace package OSAC, which we have substantially modified and now refer to as SAOsac. One major structural modification to the software has been to utilize the UNIX binary pipe data transport mechanism for passing rays between program modules. This change has made it possible to simulate rays which are distributed randomly over the entrance aperture of the telescope. It has also resulted in a highly efficient system for tracing large numbers of rays. In one application to date (the analysis of VETA-I ring focus data) we have employed 2 x 10(exp 7) rays, a substantial improvement over the limit of 1 x 10(exp 4) rays in the original OSAC module. A second major modification is the manner in which SAOsac incorporates low spatial frequency surface errors into the geometric raytrace. The original OSAC included the ability to use Legendre-Fourier polynomials to describe deviations from the basic optical prescription. To this we have added bicubic splines to address a deficiency in the handling of the sharper deformations in the areas of mirror support pads. SAO has developed software (TRANS-FIT) to translate the most common finite element analysis models into these forms for incorporation into the raytrace program.

Tananbaum, H. D.↗

The Effect of Approximating Some Molecular Integrals in Coupled-Cluster Calculations: Fundamental Frequencies and Rovibrational Spectroscopic Constants of Cyclopropenylidene

The singles and doubles coupled-cluster method that includes a perturbational estimate of connected triple excitations, denoted CCSD(T), has been used, in conjunction with approximate integral techniques, to compute highly accurate rovibrational spectroscopic constants of cyclopropenylidene, C3H2. The approximate integral technique was proposed in 1994 by Rendell and Lee in order to avoid disk storage and input/output bottlenecks, and today it will also significantly aid in the development of algorithms for distributed memory, massively parallel computer architectures. It is shown in this study that use of approximate integrals does not impact the accuracy of CCSD(T) calculations. In addition, the most accurate spectroscopic data yet for C3H2 is presented based on a CCSD(T)/cc-pVQZ quartic force field that is modified to include the effects of core-valence electron correlation. Cyclopropenylidene is of great astronomical and astrobiological interest because it is the smallest aromatic ringed compound to be positively identified in the interstellar medium, and is thus involved in the prebiotic processing of carbon and hydrogen. The singles and doubles coupled-cluster method that includes a perturbational estimate of

Lee, Timothy J.↗