Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Temperature model”

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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Readout of Oriented Triplet Excitons in Linear Acenes via Room-Temperature Electrically Detected Magnetic Resonance

In this study, optically generated molecular spin centers offer an attractive platform for room-temperature spintronic and quantum applications. The linear acene family of molecules are especially good candidates due to their efficient generation of highly polarized triplet excitons via singlet fission. However, the direct detection and manipulation of these spin centers in thin films via the electrical means desirable for ultimate microelectronic devices has proven challenging. In particular, highly oriented triplet features have previously been detected in crystalline anthracene but longer acenes reveal only doublet features in Electrically-Detected Magnetic Resonance (EDMR). In this work we present EDMR spectra of highly oriented triplet excitons in pentacene for the first time, using a host-guest style device made of tetracene and pentacene. The guest acts as an energetic trap site, permitting the isolation and detection of molecular triplets at room temperature. Modeling of these results shows that the observed resonance features correspond to triplet sublevel transitions on isolated pentacene guest molecules. Rotation of the applied field confirms the tendency of the linear acenes to self-orient with the longest molecular axis perpendicular to the device substrate. Lastly, we find the disappearance of resonant triplet features in the neat acenes is not primarily due to the effects of exciton delocalization, but a broader mechanism of spin relaxation primarily influenced by exciton diffusivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Dependence of Linker Length and Composition on Ionic Conductivity and Lithium Deposition in Single-Ion Conducting Network Polymers

In this report, single-ion conducting electrolytes stand as promising alternatives to state-of-the-Art electrolytes in lithium batteries, although a single-ion conducting material with high Li + conductivity, stability in contact with lithium, and suitable mechanical properties has been slow to emerge. Here, we describe the synthesis of a series of single-ion conducting network polymers from the reaction of tetrakis(4-(chloromethyl)-2,3,5,6-Tetrafluorophenyl)borate with oligoethylene glycoxide linkers Li 2 O[(CH 2 CH 2 )O] n (n = 1, 2, 3, 9, and 22). Polymers with the longest linkers (n = 9 and 22; ANP-9 and ANP-10, respectively) form materials with conductivities of ~ 10 -6 S cm -1 at 100 °C. With the addition of 65 wt % propylene carbonate (PC), all the network polymers in the series exhibit high conductivities at ambient temperatures, with the n = 1 material (ANP-6) achieving a bulk ionic conductivity of 2.5 x 10 -4 S cm -1 at 25 °C. More conductive single-ion conducting gels could be prepared by using the less coordinating pentanediol dilithium salt as a linker (ANP-11; σ = 3.5 x 10 -4 S cm -1 at 25 °C), although this material exhibited a surprisingly high interfacial resistance in contact with a lithium electrode. In contrast, the gel formed with ANP-6 is notably stable in contact with metallic lithium electrodes, displays a lithium-ion transference number of unity, and boasts a wide electrochemical stability window of greater than 4.5 V. Temperature-dependent ac impedance analysis reveals that the ionic conductivity of this material-and likely the other gels in the series-matches closely to a Vogel-Tamman-Fulcher temperature model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Slow thermal equilibration in methylammonium lead iodide revealed by transient mid-infrared spectroscopy

Hybrid organic–inorganic perovskites are emerging semiconductors for cheap and efficient photovoltaics and light-emitting devices. Different from conventional inorganic semiconductors, hybrid perovskites consist of coexisting organic and inorganic sub-lattices, which present disparate atomic masses and bond strengths. The nanoscopic interpenetration of these disparate components, which lack strong electronic and vibrational coupling, presents fundamental challenges to the understanding of charge and heat dissipation. Here we study phonon population and equilibration processes in methylammonium lead iodide (MAPbI 3 ) by transiently probing the vibrational modes of the organic sub-lattice following above-bandgap optical excitation. We observe inter-sub-lattice thermal equilibration on timescales ranging from hundreds of pico seconds to a couple of nanoseconds. As supported by a two temperature model based on first-principles calculations, the slow thermal equilibration is attributable to the sequential phonon populations of the inorganic and organic sub-lattices, respectively. The observed long-lasting thermal non-equilibrium offers insights into thermal transport and heat management of the emergent hybrid material class.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Ultrashort laser ablation of bulk copper targets: Dynamics and size distribution of the generated nanoparticles

We address the role of laser pulse fluence on expansion dynamics and size distribution of the nanoparticles produced by irradiating a metallic target with an ultrashort laser pulse in a vacuum, an issue for which contrasting indications are present in the literature. To this end, we have carried out a combined theoretical and experimental analysis of laser ablation of a bulk copper target with ≈50 fs, 800 nm pulses, in an interval of laser fluencies going from few to several times the ablation threshold. On one side, molecular dynamics simulations, with two-temperature model, describe the decomposition of the material through the analysis of the evolution of thermodynamic trajectories in the material phase diagram, and allow estimating the size distribution of the generated nano-aggregates. On the other side, atomic force microscopy of less than one layer nanoparticles deposits on witness plates, and fast imaging of the nanoparticles broadband optical emission provide the corresponding experimental characterization. Both experimental and numerical findings agree on a size distribution characterized by a significant fraction (≈90%) of small nanoparticles, and a residual part (≈10%) spanning over a rather large size interval, evidencing a weak dependence of the nanoparticles sizes on the laser pulse fluence. Numerical and experimental findings show a good degree of consistency, thus suggesting that modeling can realistically support the search for experimental methods leading to an improved control over the generation of nanoparticles by ultrashort laser ablation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Determination of the electron–phonon coupling constant in tungsten

We used two methods to determine the effective electron-phonon coupling constant (G{sub 0}) in tungsten. Our first principles calculations predict G{sub 0} = 1.65 × 10{sup 17 }W m{sup −3} K{sup −1}. The temporal decay of the femtosecond-resolution optical reflectivity for a (100) surface of bulk W was measured using a pump-probe scheme and analysed using ab initio parameterised two temperature model, which includes both the effects of the electron-phonon coupling and thermal conduction into bulk. This analysis gives G{sub 0} = 1.4(3) × 10{sup 17 }W m{sup −3} K{sup −1}, in good agreement with the theoretical prediction. The described effective method of calculating and measuring G{sub 0} in bulk materials can be easily extended to other metals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Spin-orbit enhanced demagnetization rate in Co/Pt-multilayers

In order to explore the role of enhanced spin-orbit interactions on the laser-induced ultrafast magnetization dynamics, we performed a comparative study on cobalt thin films and Co/Pt multilayers. We show that the presence of the Co/Pt interfaces gives rise to a three-fold faster demagnetization upon femtosecond laser heating. Experimental data for a wide range of laser fluences are analyzed using the Microscopic 3-Temperature Model. We find that the Elliott-Yafet spin-flip scattering in the multilayer structure is increased by at least a factor of four with respect to the elementary Co film.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Refractive index modulation of Sb{sub 70}Te{sub 30} phase-change thin films by multiple femtosecond laser pulses

In this study, the controllable effective refractive index modulation of Sb{sub 70}Te{sub 30} phase-change thin films between amorphous and crystalline states was achieved experimentally by multiple femtosecond laser pulses. The modulation mechanism was analyzed comprehensively by a spectral ellipsometer measurement, surface morphology observation, and two-temperature model calculations. We numerically demonstrate the application of the optically modulated refractive index of the phase-change thin films in a precisely adjustable color display. These results may provide further insights into ultrafast phase-transition mechanics and are useful in the design of programmable photonic and opto-electrical devices based on phase-change memory materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Rise time of voltage pulses in NbN superconducting single photon detectors

We have found experimentally that the rise time of voltage pulse in NbN superconducting single photon detectors increases nonlinearly with increasing the length of the detector L. The effect is connected with dependence of resistance of the detector R{sub n}, which appears after photon absorption, on its kinetic inductance L{sub k} and, hence, on the length of the detector. This conclusion is confirmed by our calculations in the framework of two temperature model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Electron-lattice energy relaxation in laser-excited thin-film Au-insulator heterostructures studied by ultrafast MeV electron diffraction

We apply time-resolved MeV electron diffraction to study the electron-lattice energy relaxation in thin film Au-insulator heterostructures. Through precise measurements of the transient Debye-Waller-factor, the mean-square atomic displacement is directly determined, which allows to quantitatively follow the temporal evolution of the lattice temperature after short pulse laser excitation. Data obtained over an extended range of laser fluences reveal an increased relaxation rate when the film thickness is reduced or the Au-film is capped with an additional insulator top-layer. This behavior is attributed to a cross-interfacial coupling of excited electrons in the Au film to phonons in the adjacent insulator layer(s). Analysis of the data using the two-temperature-model taking explicitly into account the additional energy loss at the interface(s) allows to deduce the relative strength of the two relaxation channels.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Effects of electronic excitation in 150 keV Ni ion irradiation of metallic systems

We use the two-temperature model in molecular dynamic simulations of 150 keV Ni ion cascades in nickel and nickel-based alloys to investigate the effect of the energy exchange between the atomic and the electronic systems during the primary stages of radiation damage. We find that the electron-phonon interactions result in a smaller amount of defects and affect the cluster formation, resulting in smaller clusters. These results indicate that ignoring the local heating due to the electrons results in the overestimation of the amount of damage and the size of the defect clusters. A comparison of the average defect production to the Norgett-Robinson-Torrens (NRT) prediction over a range of energies is provided.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Determination of the electron-lattice coupling strength of copper with ultrafast MeV electron diffraction

Electron-lattice coupling strength governs the energy transfer between electrons and the lattice and is important for understanding the material behavior under highly non-equilibrium conditions. We report the results of employing time-resolved electron diffraction at MeV energies to directly study the electron-lattice coupling strength in 40-nm-thick polycrystalline copper excited by femtosecond optical lasers. The temporal evolution of lattice temperature at various pump fluence conditions were obtained from the measurements of the Debye-Waller decay of multiple diffraction peaks. We observed the temperature dependence of the electron-lattice relaxation time which is a result of the temperature dependence of electron heat capacity. Comparison with two-temperature model simulations reveals an electron-lattice coupling strength of (0.9 ± 0.1) × 10 17 W/m 3 /K for copper.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effects of initial conditions and transport on ram pressure, Mach number, and uniformity for plasma liner formation and implosion

Plasma jet driven magneto-inertial fusion involves the merging of high Mach number plasma jets in a spherically converging geometry to form an imploding plasma liner. A three-dimensional smooth particle hydrodynamic simulation tool was used to study the number of plasma jets, jet density, and implosion velocity on the effects of formation and subsequent implosion of a plasma liner. The effects of different transport physics are presented. Thermal radiation and two-temperature modeling were found to have the most significant impact on the ram pressure. Solid angle averaged ram pressure and Mach number degradation were of particular interest in this study. Higher jet numbers were found to result in higher peak ram pressure. A spherical harmonic analysis was conducted for each case, providing a quantitative measure of the non-uniformity of the liner during the implosion process and how non-uniformities are affected by the different parameters explored in this study.

Schillo, Kevin↗
DOE OSTI2022

Ultrafast electron dynamics in platinum and gold thin films driven by optical and terahertz fields

Here, we investigate the ultrafast electron dynamics triggered by terahertz and optical pulses in thin platinum and gold films by probing their transient optical reflectivity. The response of the platinum film to an intense terahertz pulse is similar to the optically induced one and can be described by a two-temperature model with a 20% larger electron–phonon coupling for the terahertz-driven dynamics compared to the optically induced one, ascribed to an additional nonthermal electron–phonon coupling contribution. Surprisingly, gold films exhibit a much smaller terahertz pulse-induced reflectivity change and with a sign opposite to the optical case. Additionally we explain this remarkable observation with field emission of electrons due to Fowler–Nordheim tunneling, enabled in samples with thicknesses below the structural percolation threshold, where nanostructuring promotes near-field enhancement. Our results provide a fundamental insight into the ultrafast processes relevant to modern electro- and magneto-optical applications.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

INVESTIGATING THE POTENTIAL DILUTION OF THE METAL CONTENT OF HOT GAS IN EARLY-TYPE GALAXIES BY ACCRETED COLD GAS

The measured emission-weighted metal abundance of the hot gas in early-type galaxies has been known to be lower than theoretical expectations for 20 years. In addition, both X-ray luminosity and metal abundance vary significantly among galaxies of similar optical luminosities. This suggests some missing factors in the galaxy evolution process, especially the metal enrichment process. With Chandra and XMM-Newton, we studied 32 early-type galaxies (kT {approx}< 1 keV) covering a span of two orders of L{sub X,gas}/L{sub K} to investigate these missing factors. Contrary to previous studies that X-ray faint galaxies show extremely low Fe abundance ({approx}0.1 Z{sub Sun }), nearly all galaxies in our sample show an Fe abundance at least 0.3 Z{sub Sun }, although the measured Fe abundance difference between X-ray faint and X-ray bright galaxies remains remarkable. We investigated whether this dichotomy of hot gas Fe abundances can be related to the dilution of hot gas by mixing with cold gas. With a subset of 24 galaxies in this sample, we find that there is virtually no correlation between hot gas Fe abundances and their atomic gas content, which disproves the scenario that the low metal abundance of X-ray faint galaxies might be a result of the dilution of the remaining hot gas by pristine atomic gas. In contrast, we demonstrate a negative correlation between the measured hot gas Fe abundance and the ratio of molecular gas mass to hot gas mass, although it is unclear what is responsible for this apparent anti-correlation. We discuss several possibilities including that externally originated molecular gas might be able to dilute the hot gas metal content. Alternatively, the measured hot gas Fe abundance may be underestimated due to more complex temperature and abundance structures and even a two-temperature model might be insufficient to reflect the true value of the emission weighted mean Fe abundance.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Metal distributions out to 0.5 r {sub 180} in the intracluster medium of four galaxy groups observed with Suzaku

We studied the distributions of metal abundances and metal-mass-to-light ratios in the intracluster medium (ICM) of four galaxy groups, MKW 4, HCG 62, the NGC 1550 group, and the NGC 5044 group, out to ∼0.5 r {sub 180} observed with Suzaku. The iron abundance decreases with radius and is about 0.2-0.4 solar beyond 0.1 r {sub 180}. At a given radius in units of r {sub 180}, the iron abundance in the ICM of the four galaxy groups was consistent with or smaller than those of clusters of galaxies. The Mg/Fe and Si/Fe ratios in the ICM are nearly constant at the solar ratio out to 0.5 r {sub 180}. We also studied systematic uncertainties in the derived metal abundances, comparing the results from two versions of atomic data for astrophysicists (ATOMDB) and single- and two-temperature model fits. Since the metals have been synthesized in galaxies, we collected K-band luminosities of galaxies from the Two Micron All Sky Survey catalog and calculated the integrated iron-mass-to-light-ratios (IMLR), or the ratios of the iron mass in the ICM to light from stars in galaxies. The groups with smaller gas-mass-to-light ratios have smaller IMLR values and the IMLR is inversely correlated with the entropy excess. Based on these abundance features, we discussed the past history of metal enrichment processes in groups of galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Observations and modeling of the companions of short period binary millisecond pulsars: evidence for high-mass neutron stars

We present observations of fields containing eight recently discovered binary millisecond pulsars using the telescopes at MDM Observatory. Optical counterparts to four of these systems are detected, one of which, PSR J2214+3000, is a novel detection. Additionally, we present the fully phase-resolved B, V, and R light curves of the optical counterparts to two objects, PSR J1810+1744 and PSR J2215+5135 for which we employ model fitting using the eclipsing light curve (ELC) model of Orosz and Hauschildt to measure the unknown system parameters. For PSR J1810+1744, we find that the system parameters cannot be fit even assuming that 100% of the spin-down luminosity of the pulsar is irradiating the secondary, and so radial velocity measurements of this object will be required for the complete solution. However, PSR J2215+5135 exhibits light curves that are extremely well constrained using the ELC model and we find that the mass of the neutron star is constrained by these and the radio observations to be M {sub NS} > 1.75 M {sub ☉} at the 3σ level. We also find a discrepancy between the model temperature and the measured colors of this object, which we interpret as possible evidence for an additional high-temperature source such as a quiescent disk. Given this and the fact that PSR J2215+5135 contains a relatively high mass companion (M {sub c} > 0.1 M {sub ☉}), we propose that similar to the binary pulsar systems PSR J1023+0038 and IGR J18245–2452, the pulsar may transition between accretion- and rotation-powered modes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Second release of the CoRe database of binary neutron star merger waveforms

Abstract We present the second data release of gravitational waveforms from binary neutron star (BNS) merger simulations performed by the Computational Relativity ( CoRe ) collaboration. The current database consists of 254 different BNS configurations and a total of 590 individual numerical-relativity simulations using various grid resolutions. The released waveform data contain the strain and the Weyl curvature multipoles up to ℓ = m = 4 . They span a significant portion of the mass, mass-ratio, spin and eccentricity parameter space and include targeted configurations to the events GW170817 and GW190425. CoRe simulations are performed with 18 different equations of state, seven of which are finite temperature models, and three of which account for non-hadronic degrees of freedom. About half of the released data are computed with high-order hydrodynamics schemes for tens of orbits to merger; the other half is computed with advanced microphysics. We showcase a standard waveform error analysis and discuss the accuracy of the database in terms of faithfulness. We present ready-to-use fitting formulas for equation of state-insensitive relations at merger (e.g. merger frequency), luminosity peak, and post-merger spectrum.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Selective electron-phonon coupling strength from nonequilibrium optical spectroscopy: The case of MgB 2

The coupling between quasiparticles and bosonic excitations rules the energy transfer pathways in condensed matter systems. The possibility of inferring the strength of specific coupling channels from their characteristic timescales measured in nonequilibrium experiments is still an open question. Here, in this study, we investigate MgB 2 , in which conventional superconductivity at temperatures as high as 39 K is mediated by the strong coupling between the conduction electrons and the 𝐸 2⁢𝑔 phonon mode. By means of broadband time-resolved optical spectroscopy, we show that this selective electron-phonon coupling dictates the nonequilibrium optical response of MgB 2 at early times (<100 fs) after photoexcitation. Furthermore, based on an effective temperature model analysis, we estimate its contribution to the total electron-boson coupling function extracted from complementary equilibrium spectroscopy approaches, namely, optical reflectivity and angle-resolved photoemission spectroscopy. The coupling strength with the 𝐸 2⁢𝑔 phonon modes is thus estimated to be 𝜆 ≃ 0.56, which is approximately half of the total coupling constant, in agreement with 𝑎𝑏 initio calculations from the literature. As a benchmark, broadband time-resolved optical spectroscopy is performed also on the isostructural and nonsuperconducting compound AlB 2 , showing that the nonequilibrium optical response relaxes on a slower timescale due to the lack of strongly coupled phonon modes. Our findings demonstrate the possibility to resolve and quantify selective electron-phonon coupling from nonequilibrium optical spectroscopy.

Mor, Selene [Università Cattolica del Sacro Cuore,↗