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Results for “EFFECTIVE MASS”

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.

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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Numerical relativity simulations of the neutron star merger GW190425: microphysics and mass ratio effects

ABSTRACT GW190425 was the second gravitational wave (GW) signal compatible with a binary neutron star (BNS) merger detected by the Advanced LIGO and Advanced Virgo detectors. Since no electromagnetic counterpart was identified, whether the associated kilonova was too dim or the localization area too broad is still an open question. We simulate 28 BNS mergers with the chirp mass of GW190425 and mass ratio 1 ≤ q ≤ 1.67, using numerical-relativity simulations with finite-temperature, composition dependent equations of state (EOS) and neutrino radiation. The energy emitted in GWs is $\lesssim 0.083\mathrm{\, M_\odot }c^2$ with peak luminosity of 1.1–$2.4\times ~10^{58}/(1+q)^2\, {\rm {erg \, s^{-1}}}$. Dynamical ejecta and disc mass range between 5 × 10−6–10−3 and 10−5–$0.1 \mathrm{\, M_\odot }$, respectively. Asymmetric mergers, especially with stiff EOSs, unbind more matter and form heavier discs compared to equal mass binaries. The angular momentum of the disc is 8–$10\mathrm{\, M_\odot }~GM_{\rm {disc}}/c$ over three orders of magnitude in Mdisc. While the nucleosynthesis shows no peculiarity, the simulated kilonovae are relatively dim compared with GW170817. For distances compatible with GW190425, AB magnitudes are always dimmer than ∼20 mag for the B, r, and K bands, with brighter kilonovae associated to more asymmetric binaries and stiffer EOSs. We suggest that, even assuming a good coverage of GW190425’s sky location, the kilonova could hardly have been detected by present wide-field surveys and no firm constraints on the binary parameters or EOS can be argued from the lack of the detection.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Reducing the matrix effect in mass spectral imaging of biofilms using flow-cell culture

The interactions between soil microorganisms and soil minerals play a crucial role in the formation and evolution of minerals and the stability of soil aggregates. Due to the heterogeneity and diversity of the soil environment, the under-standing of the functions of bacterial biofilms in soil minerals at the microscale is limited. A soil mineral-bacterial biofilm system was used as a model in this study, and it was analyzed by time-of-flight secondary ion mass spectrometry (ToF-SIMS) to acquire molecular level information. Static culture in multi-wells and dynamic flow-cell culture in microfluidics of biofilms were investigated. Our results show that more characteristic molecules of biofilms can be observed in SIMS spectra of the flow-cell culture. In contrast, biofilm signature peaks are buried under the mineral components in SIMS spectra in the static culture case. Spectral overlay was used in peak selection prior to performing Principal component analysis (PCA). Comparisons of the PCA results between the static and flow-cell culture show more pronounced molecular features and higher loadings of organic peaks of the dynamic cultured specimens. For example, fatty acids secreted from bacterial biofilm extracellular polymeric substance are likely to be responsible for biofilm dispersal due to mineral treatment up to 48 h. Such findings suggest that the use of microfluidic cells to dynamically culture biofilms be a more suitable method for reducing the matrix effect arisen from the growth medium and minerals as a perturbation fac-tor for improved spectral and multivariate analysis of complex mass spectral data in ToF-SIMS. These results show that the interaction mechanism between biofilms and soil minerals at the molecular level can be better studied using the flow-cell culture and advanced mass spectral imaging techniques like ToF-SIMS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Axis dependent conduction polarity in the air-stable semiconductor, PdSe 2

Axis-dependent conduction polarity (ADCP) is a unique electronic phenomena in which the charge polarity of carrier conduction can differ from p-type to n-type depending on the direction of travel through the crystal. Most materials that exhibit ADCP are metals, and very few semiconducting materials exhibit this effect. Here, in this work, we establish that PdSe 2 , a ~0.5 eV band gap semiconductor that is air- and water-stable, exhibits ADCP, through the growth and characterization of the transport properties of crystals with extrinsic p- and n-type doping levels of Ir and Sb, respectively, in the 10 16 –10 18 cm –3 range. Electron doped PdSe 2 exhibits p-type conduction in the cross-plane direction and n-type conduction along the in-plane directions above an onset temperature of 100–200 K that varies with doping level. Lightly p-doped samples show p-type thermopower in all directions at low temperatures, but above ~360 K the in-plane thermopower turns negative. Density functional theory calculations indicate that the origin of ADCP arises from the complementary effective mass anisotropies in the valence and conduction bands in this material, which facilitate hole transport in the cross-plane direction, and electron transport along the in-plane directions. ADCP occurs at temperatures with sufficient thermal population of both carrier types to overcome the extrinsic doping levels to exploit the effective mass anisotropy. In total, the development of this stable semiconductor in which thermally or optically excited holes and electrons inherently migrate along different directions opens up numerous potential applications in a multitude of technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effect of mass flow rate on gas propagation after vacuum break in a liquid helium cooled tube

Vacuum break in particle accelerators is a major concern due to risks associated with personnel and extensive equipment damage. Continuing research in our lab focuses on the sudden loss of vacuum in the liquid helium cooled beam-line tubes of superconducting particle accelerators. In our previous research, we studied nitrogen gas propagation in a uniform tube system immersed in both normal helium (He I) and superfluid helium (He II). It was observed that He II has a stronger effect in slowing down the gas propagation compared to He I, but this effect was largely due to the variation of the point where condensation and deposition of the nitrogen gas on the tube inner wall. Here, we discuss our modifications to the tube system that now allow us to accurately control the starting location of gas condensation in both the He I and He II experiments. Systematic studies of gas propagation were conducted using this new tube system by varying the nitrogen mass flow rate at the tube inlet.

43 PARTICLE ACCELERATORS↗
NASA NTRS1985

Condensed Antenna Structural Models for Dynamics Analysis

Condensed degree-of-freedom models are compared with large degree-of-freedom finite-element models of a representative antenna-tipping and alidade structure, for both locked and free-rotor configurations. It is shown that: (1) the effective-mass models accurately reproduce the lower-mode natural frequencies of the finite element model; (2) frequency responses for the two types of models are in agreement up to at least 16 rad/s for specific points; and (3) transient responses computed for the same points are in good agreement. It is concluded that the effective-mass model, which best represents the five lower modes of the finite-element model, is a sufficient representation of the structure for future incorporation with a total servo control structure dynamic simulation.

Levy, R.↗
NASA NTRS1991

The effects of mass flow on the temperature and abundance structure of the solar transition region

The density and temperature structure of a multicomponent plasma consisting of electrons, protons, ionized helium, and a trace minor ion species are computed. The equations of force and energy balance for this model are developed and solved. It is found that in the case of downflows the minor ion temperature can be significantly hotter than the electron temperature, and significant abundance enhancements are possible due to the slowdown of the minor species from the effect of the thermal force. A simple physical picture of the source of the thermal force is given.

Woods, D. T.↗
DOE OSTI2023

Experimental measurement of the effective contact angle for solvent/packing interactions in a structured packed column for CO 2 capture

The contact angle is a critical factor for determining the effective mass transfer area for carbon dioxide (CO 2 ) capture via the chemical absorption process in a packed column, and thus the overall capture efficiency of the packed column. Many widely used commercial packings involve microscale features (perforation, corrugation, etc.) that may also affect the wetting behavior. This study proposes a systematic method of using a modified Wilhelmy plate to measure the effective contact angle to characterize the solvent and featured packing interaction. In lieu of computational efforts relying on assumptions guided by semi-informed correlation, the proposed method directly measures the effective contact angle as a function of the solvent and packing thermophysical and hydrodynamic properties. The characterization of the effective contact angle is then integrated in the computational fluid dynamics modeling to reduce uncertainty in the prediction of effective mas transfer area. Experiments were conducted for stainless steel coupons using water and aqueous sodium hydroxide (NaOH) solvent for verification of the proposed experimental protocol. The surface tension of the aqueous NaOH solvent was altered using surfactant and antifoam. The effective contact angle increases with the increased value of the surface tension for flat stainless steel sheets. On the other hand, effective contact angles do not vary in Mellapak coupons for aqueous monoethanolamine (MEA) and NaOH solvent. In this case, surface textures and sheet design play a dominant role in the surface tension of solvents. Furthermore, CO 2 loading has a significant effect on the contact angle for Mellapak coupons. As expected, the contact angle decreases with the increasing temperature of CO 2 capture solvents (MEA, EEMPA). The effective contact angle measurement using the Wilhelmy plate method can provide more accurate and efficient solvents for characterizing the solvent-packing surface interactions. Subsequently, the present method enhances the accuracy of the prediction of the effective mass transfer area in carbon capture by solvent absorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1952

An Impulse-Momentum Method for Calculating Landing-Gear Contact Conditions in Eccentric Landings

An impulse-momentum method for determining impact conditions for landing gears in eccentric landings is presented. The analysis is primarily concerned with the determination of contact velocities for impacts subsequent to initial touchdown in eccentric landings and with the determination of the effective mass acting on each landing gear. These parameters determine the energy-absorption requirements for the landing gear and, in conjunction with the particular characteristics of the landing gear, govern the magnitude of the ground loads. Changes in airplane angular and linear velocities and the magnitude of landing-gear vertical, drag, and side impulses resulting from a landing impact are determined by means of impulse-momentum relationships without the necessity for considering detailed force-time variations. The effective mass acting on each gear is also determined from the calculated landing-gear impulses. General equations applicable to any type of eccentric landing are written and solutions are obtained for the particular cases of an impact on one gear, a simultaneous impact on any two gears, and a symmetrical impact. In addition a solution is presented for a simplified two-degree-of-freedom system which allows rapid qualitative evaluation of the effects of certain principal parameters. The general analysis permits evaluation of the importance of such initial conditions at ground contact as vertical, horizontal, and side drift velocities, wing lift, roll and pitch angles, and rolling and pitching velocities, as well as the effects of such factors as landing gear location, airplane inertia, landing-gear length, energy-absorption efficiency, and wheel angular inertia on the severity of landing impacts. -A brief supplementary study which permits a limited evaluation of variable aerodynamic effects neglected in the analysis is presented in the appendix. Application of the analysis indicates that landing-gear impacts in eccentric landings can be appreciably more severe than impacts in symmetrical landings with the same sinking speed. The results also indicate the effects of landing-gear location, airplane inertia, initial wing lift, side drift velocity, attitude, and initial rolling velocity on the severity of both initial and subsequent landing-gear impacts. A comparison of the severity of impacts on auxiliary gears for tricycle and quadricycle configurations is also presented.

Yntema, Robert T↗
NASA NTRS1988

Intersubband absorption of silicon-based quantum wells for infrared imaging

The 10-micron intersubband absorption in quantum wells made of the silicon-based system, Si/Si(1-x)Ge(x), has been calculated. The necessary details of the effective-mass anisotropy are included in the present analysis. It is found that it is readily possible to achieve an absorption constant of order of 10,000/cm in Si quantum wells with current doping technology. For 110-line and 111-line growth directions, a further advantage of Si quantum wells is pointed out, namely, an allowed absorption at normal incidence due to the anisotropic effective mass in Si.

Yang, Chan-Ion↗
DOE OSTI2022

Quasiparticle self-consistent GW band structures and phase transitions of LiAlO 2 in tetrahedrally and octahedrally coordinated structures

In this work, a first-principles computational study is presented of various phases of LiAlO 2 . The relative total energies and equations of state of the α, β, and γ phases are determined after structural relaxation of each phase. The β and γ tetrahedral phases are found to be very close in energy and lattice volume with the γ phase having the lowest energy. The octahedral α phase is a high-pressure phase and the transition pressure from the γ and β phases to α is determined to be about 1 GPa. The electronic band structures of each phase at their own equilibrium volume are determined using the quasiparticle self-consistent (QS) GW method as well as using the 0.8 Σ approach in which the QS GW self-energy is reduced by a factor of 0.8 to correct for the underscreening of W in QS GW. The effective masses of the band edges and the nature of the band gaps are presented. The lowest energy γ phase is found to have a pseudodirect gap of 7.69 eV. The gap is direct at Γ but corresponds to a dipole forbidden transition. The imaginary part of the dielectric function and the absorption coefficient are calculated in the long-wavelength limit and the random phase approximation, without local field or electron-hole interaction effects for each phase, and their anisotropies are discussed. Si doping on the Al site is investigated as a possible n-type dopant in γ-LiAlO 2 using a 128-atom supercell corresponding to 3.125% Si on the Al sublattice in the generalized gradient approximation and a smaller 16-atom cell with 25% Si in the QS GW approximation. The Si is found to significantly perturb the conduction band and lower the gap but a clearly separated deep donor defect level is not found. However, the donor binding energy is still expected to be relatively deep, on the order of a few tenths eV in the hydrogenic effective mass approximation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Computationally Guided Discovery of Axis-Dependent Conduction Polarity in NaSnAs Crystals

Most electronic materials exhibit a single dominant charge carrier type, either holes or electrons, along all crystallographic directions. However, there are a small number of compounds, mostly metals, that exhibit simultaneous p-type and n-type conduction behavior along different crystallographic directions. We demonstrate that the experimental discovery of semiconductors with this axis-dependent conduction polarity can be facilitated by identifying a large anisotropy of either the electron or hole effective masses (m*) or both, providing the electron and hole masses dominate along different crystallographic directions. We calculated the layered semiconductor NaSnAs to have a lower electron m* in-plane than the cross-plane and a very large hole m* in-plane and small hole m* cross-plane. We established the growth of >3 mm-sized NaSnAs crystals via Sn flux and confirmed the band gap to be 0.65 eV, in agreement with theory. NaSnAs exhibits p-type thermopowers cross-plane and n-type thermopowers in-plane, confirming that the large anisotropy in the effective mass at the band edges is an excellent indicator for axis-dependent conduction polarity. Altogether, this work shows that the discovery of semiconductors with such a phenomenon can be accelerated by computationally evaluating the anisotropic curvatures of the band edges, paving the way for their future discovery and application.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Boron phosphide as a p-type transparent conductor: Optical absorption and transport through electron-phonon coupling

Boron phosphide has recently been identified as a potential high-hole-mobility transparent conducting material. This promise arises from its low hole effective masses. However, boron phosphide has a relatively small, 2 eV, indirect bandgap which will affect its transparency. In this study, we computationally study both optical absorption across the indirect gap and phonon-limited electronic transport to quantify the potential of boron phosphide as a p-type transparent conductor. We find that phonon-mediated indirect optical absorption is weak in the visible spectrum and that the phonon-limited hole mobility is very high (around 900 cm 2 /Vs) at room temperature. This exceptional mobility comes from the combination of a low hole effective mass and very weak scattering by polar phonon modes. We rationalize the weak scattering by the less ionic bonding in boron phosphide compared to oxides. We suggest that this could be a general advantage of nonoxides for p-type transparent conducting applications. Using our computed properties, we assess the transparent conductor figure of merit of boron phosphide and show that it exceeds by one order of magnitude that of established p-type transparent conductors, confirming the potential of this material.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Expanding the Cage of 2D Bromide Perovskites by Large A-Site Cations

Two-dimensional (2D) halide perovskites have outstanding optoelectronic properties, and they feature a variety of organic cation spacers and cage A-site cations that can be incorporated into their structures. It has recently been reported that the Goldschmidt tolerance factor can be relaxed and expanded in iodide 2D perovskites. Bromide 2D perovskites, whose multilayer structures and optical properties are much less studied, provide a great platform for studying structure-property relationships for 2D perovskites with large Asite cations. Herein, we report the synthesis and structure of three new 2D bromide perovskites-(BA)(2)(MHy)(2)Pb3Br10 (BA, butylammonium; MHy, methylhydrazinium), (BA)(2)(EA)(2)Pb3Br10 (EA is ethylammonium), and (BA)(2)(DMA)Pb2Br7 (DMA is dimethylammonium). We compared them with other 2D perovskites with different A-site cations but with the same spacer and layer thickness. Single-crystal structures show that the Pb-Br bonds are elongated to accommodate the large A-site cations. Additionally, the octahedra in (BA)(2)(MHy)(2)Pb3Br10 and (BA)(2)(EA)(2)Pb3Br10 are highly distorted, and their different stacking patterns of the inner and outer layers lead to the formation of the n = 3 phases. Density functional theory calculations show that 2D perovskites with larger A-site cations (e.g., DMA, MHy, and EA) have smaller band dispersions and larger effective masses than those with Cs+ and MA. (BA)(2)(MHy)(2)Pb3Br10 also exhibits one of the largest Rashba splittings in the literature. Structures with large cage cations also exhibit high band gaps within the same n number and short photoluminescence (PL) lifetimes. Temperature- and power-dependent PL measurements reveal that the broad shoulder in the PL peak originates from the trap states.

Emission↗
DOE OSTI2023

Quark mass difference effects in hadronic Fermi matrix elements from first principles

It was recently estimated that the strong isospin-symmetry breaking (ISB) corrections to the Fermi matrix element in free neutron decay could be of the order 10 –4 , one order of magnitude larger than the naïve estimate based on the Behrends-Sirlin-Ademollo-Gatto theorem. To investigate this claim, we derive a general expression of the leading ISB correction to hadronic Fermi matrix elements, which takes the form of a four-point correlation function in lattice gauge theory and is straightforward to compute from first principles. Our formalism paves the way for the first determination of such correction in the neutron sector with fully-controlled theory uncertainties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Inelastic scattering in isotopologues of O 2 –Ar: the effects of mass, symmetry, and density of states

The two species considered here, O 2 (oxygen molecule) and Ar (argon-atom), are both abundant components of Earth's atmosphere and hence familiar collision partners in this medium. O 2 is quite reactive and extensively involved in atmospheric chemistry, including Chapman's cycle of the formation and destruction of ozone; while Ar, like N 2 , typically plays the nevertheless crucial role of inert collider. Inert species can provide stabilization to metastable encounter-complexes through the energy transfer associated with inelastic collisions. The interplay of collision frequency and energy transfer efficiency, with state lifetimes and species concentrations, contributes to the rich and varied chemistry and dynamics found in diverse environments ranging from planetary atmospheres to the interstellar and circumstellar media. The nature and density of bound and resonance states, coupled electronic states, symmetry, and nuclear spin-statistics can all play a role. Here, we systematically investigate some of those factors by looking at the O 2 –Ar system, comparing rigorous quantum-scattering calculations for the 16 O 16 O– 40 Ar, 18 O 16 O– 40 Ar, and 18 O 18 O– 40 Ar isotope combinations. A new accurate potential energy surface was constructed for this purpose holding the O 2 bond distance at its vibrationally averaged distance.

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

STRIDES: Spectroscopic and photometric characterization of the environment and effects of mass along the line of sight to the gravitational lenses DES J0408–5354 and WGD 2038–4008

In time-delay cosmography, three of the key ingredients are (1) determining the velocity dispersion of the lensing galaxy, (2) identifying galaxies and groups along the line of sight with sufficient proximity and mass to be included in the mass model, and (3) estimating the external convergence κ_ext from less massive structures that are not included in the mass model. We present results on all three of these ingredients for two time-delay lensed quad quasar systems, DES J0408–5354 and WGD 2038–4008 . We use the Gemini, Magellan, and VLT telescopes to obtain spectra to both measure the stellar velocity dispersions of the main lensing galaxies and to identify the line-of-sight galaxies in these systems. Next, we identify 10 groups in DES J0408–5354 and two groups in WGD 2038–4008 using a group-finding algorithm. We then identify the most significant galaxy and galaxy-group perturbers using the ‘flexion shift’ criterion. We determine the probability distribution function of the external convergence κ_ext for both of these systems based on our spectroscopy and on the DES-only multiband wide-field observations. Using weighted galaxy counts, calibrated based on the Millennium Simulation, we find that DES J0408–5354 is located in a significantly underdense environment, leading to a tight (width |$\sim 3{{\ \rm per\ cent}}$|⁠), negative-value κ_ext distribution. On the other hand, WGD 2038–4008 is located in an environment of close to unit density, and its low source redshift results in a much tighter κ_ext of |$\sim 1{{\ \rm per\ cent}}$|⁠, as long as no external shear constraints are imposed.

WGD 2038-4008↗