Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “transit method”

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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

High pressure chemical reactivity and structural study of the Na–P and Li–P systems

In this work, the Na–P and Li–P chemical systems were studied under pressure using synchrotron X-ray diffraction in a diamond anvil cell up to 20 GPa, combined with the AIRSS ab initio random structure searching technique. The results reveal an enhanced reactivity of both alkali metals with phosphorous at slightly elevated pressures. This enables the synthesis of Li 3 P and Na 3 P at room temperature (RT) starting from element precursors, bypassing the established chemical synthesis methods. Both compounds undergo a pressure-induced phase transition from the hexagonal Na 3 As-type structure (stable at ambient conditions) towards a Fm m (FCC) structure that remains stable up to 20 GPa. Attempts to synthesize compounds with higher alkali metal content (such as Li 5 P) using high-temperature and -pressure conditions (up to 2000+ K and 30 GPa), inspired by recent theoretical predictions, were not successful.

25 ENERGY STORAGE↗
DOE OSTI2014

Perspective: Tipping the scales: Search for drifting constants from molecular spectra

Transitions in atoms and molecules provide an ideal test ground for constraining or detecting a possible variation of the fundamental constants of nature. In this perspective, we review molecular species that are of specific interest in the search for a drifting proton-to-electron mass ratio μ. In particular, we outline the procedures that are used to calculate the sensitivity coefficients for transitions in these molecules and discuss current searches. These methods have led to a rate of change in μ bounded to 6 × 10{sup −14}/yr from a laboratory experiment performed in the present epoch. On a cosmological time scale, the variation is limited to |Δμ/μ| < 10{sup −5} for look-back times of 10–12× 10{sup 9} years and to |Δμ/μ| < 10{sup −7} for look-back times of 7× 10{sup 9} years. The last result, obtained from high-redshift observation of methanol, translates into μ{sup .}/μ=(1.4±1.4)×10{sup −17}/yr if a linear rate of change is assumed.

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

Magnetocaloric properties and critical behavior of high relative cooling power FeNiB nanoparticles

Low cost magnetocaloric nanomaterials have attracted considerable attention for energy efficient applications. We report a very high relative cooling power (RCP) in a study of the magnetocaloric effect in quenched FeNiB nanoparticles. RCP increases from 89.8 to 640 J kg{sup −1} for a field change of 1 and 5 T, respectively, these values are the largest for rare earth free iron based magnetocaloric nanomaterials. To investigate the magnetocaloric behavior around the Curie temperature (T{sub C}), the critical behavior of these quenched nanoparticles was studied. Detailed analysis of the magnetic phase transition using the modified Arrott plot, Kouvel-Fisher method, and critical isotherm plots yields critical exponents of β = 0.364, γ = 1.319, δ = 4.623, and α = −0.055, which are close to the theoretical exponents obtained from the 3D-Heisenberg model. Our results indicate that these FeNiB nanoparticles are potential candidates for magnetocaloric fluid based heat pumps and low grade waste heat recovery.

36 MATERIALS SCIENCE↗
DOE OSTI2015

A molecular symmetry analysis of the electronic states and transition dipole moments for molecules with two torsional degrees of freedom

We present a molecular symmetry analysis of electronic states and transition dipole moments for molecules which undergo large amplitude intramolecular torsions. The method is based on the correlation between the point group of the molecule at highly symmetric configurations and the molecular symmetry group. As an example, we determine the global irreducible representations of the electronic states and transition dipole moments for the quinodimethane derivative 2-[4-(cyclopenta-2,4-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2H-1, 3-dioxole for which two torsional degrees of freedom can be activated upon photo-excitation and construct the resulting symmetry adapted transition dipole functions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Atmospheric-pressure plasma jet characterization and applications on melanoma cancer treatment (B/16-F10)

A new approach in medicine is the use of cold plasma for various applications such as sterilization blood coagulation and cancer cell treatment. In this paper, a pin-to-hole plasma jet for biological applications has been designed and manufactured and characterized. The characterization includes power consumption via Lissajous method, thermal behavior of atmospheric-pressure plasma jet by using Infra-red camera as a novel method and using Speicair software to determine vibrational and transitional temperatures, and optical emission spectroscopy to determine the generated species. Treatment of Melanoma cancer cells (B16/F10) was also implemented, and tetrazolium salt dye (MTT assay) and flow cytometry were used to evaluate viability. Effect of ultraviolet photons on cancerous cells was also observed using an MgF{sub 2} crystal with MTT assay. Finally, in-vivo studies on C57 type mice were also done in order to have a better understanding of the effects in real conditions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Study of self-compliance behaviors and internal filament characteristics in intrinsic SiO{sub x}-based resistive switching memory

Self-compliance characteristics and reliability optimization are investigated in intrinsic unipolar silicon oxide (SiO{sub x})-based resistive switching (RS) memory using TiW/SiO{sub x}/TiW device structures. The program window (difference between SET voltage and RESET voltage) is dependent on external series resistance, demonstrating that the SET process is due to a voltage-triggered mechanism. The program window has been optimized for program/erase disturbance immunity and reliability for circuit-level applications. The SET and RESET transitions have also been characterized using a dynamic conductivity method, which distinguishes the self-compliance behavior due to an internal series resistance effect (filament) in SiO{sub x}-based RS memory. By using a conceptual “filament/resistive gap (GAP)” model of the conductive filament and a proton exchange model with appropriate assumptions, the internal filament resistance and GAP resistance can be estimated for high- and low-resistance states (HRS and LRS), and are found to be independent of external series resistance. Our experimental results not only provide insights into potential reliability issues but also help to clarify the switching mechanisms and device operating characteristics of SiO{sub x}-based RS memory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Real time propagation of the exact two component time-dependent density functional theory

We report the development of a real time propagation method for solving the time-dependent relativistic exact two-component density functional theory equations (RT-X2C-TDDFT). The method is fundamentally non-perturbative and may be employed to study nonlinear responses for heavy elements which require a relativistic Hamiltonian. Here, we apply the method to several group 12 atoms as well as heavy-element hydrides, comparing with the extensive theoretical and experimental studies on this system, which demonstrates the correctness of our approach. Because the exact two-component Hamiltonian contains spin-orbit operators, the method is able to describe the non-zero transition moment of otherwise spin-forbidden processes in non-relativistic theory. Furthermore, the two-component approach is more cost effective than the full four-component approach, with similar accuracy. The RT-X2C-TDDFT will be useful in future studies of systems containing heavy elements interacting with strong external fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Two-dimensional electronic Stark spectroscopy of a photosynthetic dimer

Stark spectroscopy, which measures changes in the linear absorption of a sample in the presence of an external DC electric field, is a powerful experimental tool for probing the existence of charge-transfer (CT) states in photosynthetic systems. CT states often have small transition dipole moments, making them insensitive to other spectroscopic methods, but are particularly sensitive to Stark spectroscopy due to their large permanent dipole moment. In a previous study, we demonstrated a new experimental method, two- dimensional electronic Stark spectroscopy (2DESS), which combines two-dimensional electronic spectroscopy (2DES) and Stark spec- troscopy. In order to understand how the presence of CT states manifest in 2DESS, here, we perform computational modeling and calculations of 2DESS as well as 2DES and Stark spectra, studying a photosynthetic dimer inspired by the photosystem II reaction center. Here, we identify specific cases where qualitatively different sets of system parameters produce similar Stark and 2DES spectra but significantly different 2DESS spectra, showing the potential for 2DESS to aid in identifying CT states and their coupling to excitonic states.

14 SOLAR ENERGY↗
DOE OSTI2017

Mode coupling and multiquantum vibrational excitations in Feshbach-resonant positron annihilation in molecules

The dominant mechanism of low-energy positron annihilation in polyatomic molecules is through positron capture in vibrational Feshbach resonances (VFR). In this paper, we investigate theoretically the effect of anharmonic terms in the vibrational Hamiltonian on positron annihilation rates. Such interactions enable positron capture in VFRs associated with multiquantum vibrational excitations, leading to enhanced annihilation. Mode coupling can also lead to faster depopulation of VFRs, thereby reducing their contribution to the annihilation rates. To analyze this complex picture, we use coupled-cluster methods to calculate the anharmonic vibrational spectra and dipole transition amplitudes for chloroform, chloroform-d 1 , 1,1-dichloroethylene, and methanol, and use these data to compute positron resonant annihilation rates for these molecules. Theoretical predictions are compared with the annihilation rates measured as a function of incident positron energy. Overall, the results demonstrate the importance of mode coupling in both enhancement and suppression of the VFR. There is also experimental evidence for the direct excitation of multimode VFR. Their contribution is analyzed using a statistical approach, with an outlook towards more accurate treatment of this phenomenon.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Spin injection and spin transport in paramagnetic insulators

We investigate the spin injection and the spin transport in paramagnetic insulators described by simple Heisenberg interactions using auxiliary particle methods. Some of these methods allow access to both paramagnetic states above magnetic transition temperatures and magnetic states at low temperatures. It is predicted that the spin injection at an interface with a normal metal is rather insensitive to temperatures above the magnetic transition temperature. On the other hand below the transition temperature, it decreases monotonically and disappears at zero temperature. We also analyze the bulk spin conductance. We show that the conductance becomes zero at zero temperature as predicted by linear spin wave theory but increases with temperature and is maximized around the magnetic transition temperature. These findings suggest that the compromise between the two effects determines the optimal temperature for spintronics applications utilizing magnetic insulators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Treating quarks within neutron stars

Neutron star interiors provide the opportunity to probe properties of cold dense matter in the QCD phase diagram. Utilizing models of dense matter in accord with nuclear systematics at nuclear densities, we investigate the compatibility of deconfined quark cores with current observational constraints on the maximum mass and tidal deformability of neutron stars. Here we explore various methods of implementing the hadron-to-quark phase transition, specifically, first-order transitions with sharp (Maxwell construction) and soft (Gibbs construction) interfaces, and smooth crossover transitions. We find that within the models we apply, hadronic matter has to be stiff for a first-order phase transition and soft for a crossover transition. In both scenarios and for the equations of state we employed, quarks appear at the center of premerger neutron stars in the mass range ≈ 1.0 – 1.6 M ⊙ , with a squared speed of sound $c^2_{QM}$ ≳ 0.4 characteristic of strong repulsive interactions required to support the recently discovered neutron star masses ≥ 2 M ⊙ . We also identify equations of state and phase transition scenarios that are consistent with the bounds placed on tidal deformations of neutron stars in the recent binary merger event GW170817. We emphasize that distinguishing hybrid stars with quark cores from normal hadronic stars is very difficult from the knowledge of masses and radii alone, unless drastic sharp transitions induce distinctive disconnected hybrid branches in the mass-radius relation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Recording interfacial currents on the subnanometer length and femtosecond time scale by terahertz emission

Electron dynamics at interfaces is a subject of great scientific interest and technological importance. Detailed understanding of such dynamics requires access to the angstrom length scale defining interfaces and the femtosecond time scale characterizing interfacial motion of electrons. In this context, the most precise and general way to remotely measure charge dynamics is through the transient current flow and the associated electromagnetic radiation. Here, we present quantitative measurements of interfacial currents on the subnanometer length and femtosecond time scale by recording the emitted terahertz radiation following ultrafast laser excitation. We apply this method to interlayer charge transfer in heterostructures of two transition metal dichalcogenide monolayers less than 0.7 nm apart. We find that charge relaxation and separation occur in less than 100 fs. This approach allows us to unambiguously determine the direction of current flow, to demonstrate a charge transfer efficiency of order unity, and to characterize saturation effects.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Low duty cycle pulsed UV technique for spectroscopy of aluminum monochloride

We present what we believe to be a novel technique to minimize UV-induced damage in experiments that employ second-harmonic generation cavities. The principle of our approach is to reduce the duty cycle of the UV light as much as possible to prolong the lifetime of the used optics. The low duty cycle is achieved by ramping the cavity into resonance for a short time during the experimental cycle when the light is used and tuning it to an off-resonant state otherwise. The necessary fast ramp and length-stabilization control of the cavity is implemented with the FPGA-based STEMlab platform. We demonstrate the utility of this method by measuring the isotope shift of the electronic transition (X 1 Σ ← A 1 Π) in AlCl at 261.5 nm in a pulsed molecular beam experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Novel uses of detonator diagnostics

A novel combination of diagnostics is being used to research the physics of detonator initiation. The explosive PETN (Pentaerythritol tetranitrate) commonly used in detonators, is also a piezo-electric material that, when sufficiently shocked, emits an electromagnetic field in the radio frequency (RF) range, along crystal fracture planes. In an effort to capture this RF signal, a new diagnostic was created. A copper foil, used as an RF antenna, was wrapped around a foam fixture encompassing a PETN pellet. Rogowski coils were used to obtain the change in current with respect to time (di/dt) the detonator circuit, in and polyvinylidene difluoride (PVDF) stress sensors were used to capture shockwave arrival time. The goal of these experiments is to use these diagnostics to study the reaction response of a PETN pellet of known particle size to shock loading with various diagnostics including an antenna to capture RF emissions. Our hypothesis is that RF feedback may signify the rate of deflagration to detonation transition (DDT) or lack thereof. The new diagnostics and methods will be used to determine the timing of start of current, bridge burst, detonator breakout timing and RF generated from detonation. These data will be compared to those of currently used diagnostics in order to validate the accuracy of these new methods. Future experiments will incorporate other methods of validation including dynamic radiography, optical initiation and use of magnetic field sensors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

A Possible Neutron-Antineutron Oscillation Experiment at PF1B at the Institut Laue Langevin

We consider a possible neutron–antineutron ($n-\overline{n}$) oscillation experiment at the PF1B instrument at Institut Laue Langevin. It can improve the best existing constraint on the transition rate and also allow the testing of the methods and instrumentation which would be needed for a later larger-scale experiment at ESS. The main gain factors over the most competitive experiment, performed earlier at PF1 instrument at ILL, are: a more intense neutron beam and a new operating mode based on coherent n and $\overline{n}$ mirror reflections. The installation of such an experiment would need a temporary replacement of the existing ballistic neutron guide by a specially designed n/$\overline{n}$ guide with a gradually increasing cross section and a specially selected coating as well as the development and construction of an advanced $\overline{n}$ annihilation detector with a high efficiency and low background. The overall gain factor could reach up to an order of magnitude and depends on the chosen experiment configuration.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Predicting the glass transition temperature and viscosity of secondary organic material using molecular composition

Secondary organic aerosol (SOA) accounts for a large fraction of submicron particles in the atmosphere. SOA can occur in amorphous solid or semi-solid phase states depending on chemical composition, relative humidity (RH), and temperature. The phase transition between amorphous solid and semi-solid states occurs at the glass transition temperature ( T g ). We have recently developed a method to estimate T g of pure compounds containing carbon, hydrogen, and oxygen atoms (CHO compounds) with molar mass less than 450 g mol -1 based on their molar mass and atomic O : C ratio. In this study, we refine and extend this method for CH and CHO compounds with molar mass up to ~1100 g mol -1 using the number of carbon, hydrogen, and oxygen atoms. We predict viscosity from the T g -scaled Arrhenius plot of fragility (viscosity vs. T g / T ) as a function of the fragility parameter D . We compiled D values of organic compounds from the literature and found that D approaches a lower limit of ~10 (±1.7) as the molar mass increases. We estimated the viscosity of α -pinene and isoprene SOA as a function of RH by accounting for the hygroscopic growth of SOA and applying the Gordon–Taylor mixing rule, reproducing previously published experimental measurements very well. Sensitivity studies were conducted to evaluate impacts of T g , D , the hygroscopicity parameter ( κ ), and the Gordon–Taylor constant on viscosity predictions. The viscosity of toluene SOA was predicted using the elemental composition obtained by high-resolution mass spectrometry (HRMS), resulting in a good agreement with the measured viscosity. We also estimated the viscosity of biomass burning particles using the chemical composition measured by HRMS with two different ionization techniques: electrospray ionization (ESI) and atmospheric pressure photoionization (APPI). Due to differences in detected organic compounds and signal intensity, predicted viscosities at low RH based on ESI and APPI measurements differ by 2–5 orders of magnitude. Complementary measurements of viscosity and chemical composition are desired to further constrain RH-dependent viscosity in future studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗