Search NASA⌕ Search

SEARCH · Search NASA

Results for “surface physics”

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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

An interface-aware sub-scale dynamics multi-material cell model for solids with void closure and opening at all speeds

Here, we present a multi-material cell model (closure model) for demanding arbitrary Lagrangian-Eulerian (ALE) simulations of fluids and solids. It is based on the interface-aware sub-scale dynamics (IASSD) approach which utilizes the exact material interface geometry within the computational cell to calculate internal material interactions. Our formulation of the closure model also aims to improve the accuracy in low-speed impact events. Voids are used to represent ambient vacuum and internal free boundaries of the distinct materials. Void regions can close and open at contact surfaces, allowing a transition from contact physics to free motion in vacuum. The coupling of void closure and opening with a new formulation of the IASSD model for solids is tested on several one- and two-dimensional numerical examples, ranging from gas expansion in vacuum to planar and round object impacts at various speeds.

42 ENGINEERING↗
DOE OSTI2023

Crystal plasticity modeling for the strengthening effect of multilayered copper–graphene nanocomposites

The paper explores plastic deformation mechanisms in metal–graphene nanocomposites, illustrating their material strengthening effects through a crystal plasticity finite element (CPFE) model. This model is compared with published experimental results, which have previously shown that the two-dimensional shape of graphene effectively controls dislocation motion and significantly enhances the strength of metals. Simulated nanopillar compression tests, using a physics-based CP model that incorporates surface nucleation and single-arm source dislocation mechanisms, help us understand dislocation motions at submicron length scales. The crystal plasticity models are applied to nanolayered composites with copper grain layers and monolayer graphene, featuring repeat layer spacings of 200 nm, 125 nm, and 70 nm, respectively. This study quantifies the accumulation of dislocations at the graphene interfaces, contributing to the ultra-high strength of copper–graphene composites. Furthermore, a Hall–Petch-like correlation is established between yield strength and the number of embedded graphene layers.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Activity of titania and zeolite samples dosed with triethylamine

Certain properties of titania and the ammonium- and proton-form of Y zeolites (silica/alumina ratio of 5.2) were explored before and after treatment by triethylamine (TEA). The effect of the triethylamine upon the physical and chemical properties of both titania and the zeolite were characterized by physical and chemical adsorption methods. BET surface area data showed enhanced surface area of the TEA-treated nanotitania over the untreated nanotitania whereas the TEA-treated zeolite showed a considerable decrease in surface area compared to the untreated zeolite. TPD of the TEA-treated Y zeolite showed that weakly adsorbed TEA left the surface between 150 and 300 oC; strongly adsorbed TEA decomposed to ethylene and ammonia at higher temperatures. XPS, IR, and Raman spectroscopies, powder XRD, and 27Al MAS-NMR spectroscopy were used to further characterize the changes introduced by in-situ nitridation. Pre-adsorbed triethylamine decorated acid sites so as to neutralize these sites for the reaction of methanol to dimethylether. Carbon monoxide and ormaldehyde, products of the methanol probe reaction, were observed-- suggesting that basic sites are present in this treated zeolite and titania.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2019

Surface Termination Dependent Work Function and Electronic Properties of Ti 3 C 2 T x MXene

MXenes, an emerging family of 2D transition metal carbides and nitrides, have shown promise in various applications, such as energy storage, electromagnetic interference shielding, conductive thin films, photonics, and photothermal therapy. Their metallic nature, wide range of optical absorption, and tunable surface chemistry are the key to their success in those applications. The physical properties of MXenes are known to be strongly dependent on their surface terminations. In this study, we investigated the electronic properties of Ti 3 C 2 T x for different surface terminations, as achieved by different annealing temperatures, with the help of photoelectron spectroscopy, inverse photoelectron spectroscopy, and density functional theory calculations. We find that fluorine occupies solely the face-centered cubic adsorption site, whereas oxygen initially occupies at least two different adsorption sites, followed by a rearrangement after fluorine desorption at high annealing temperatures. The measured electronic structure of Ti 3 C 2 T x showed strong dispersion of more than 1 eV, which we conclude to stem from Ti–O bonds by comparing it to calculated band structures. We further measured the work function of Ti 3 C 2 T x as a function of annealing temperature and found that it is in the range of 3.9–4.8 eV, depending on the surface composition. A comparison of the experimental work function to detailed density functional theory calculations shows that the measured value is not simply an average of the work function values of uniformly terminated Ti 3 C 2 surfaces but that the interplay between the different surface moieties and their local dipoles plays a crucial role.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Evolution of the Fermi surface of Weyl semimetals in the transition metal pnictide family

Topological Weyl semimetals (TWSs) represent a novel state of topological quantum matter which not only possesses Weyl fermions (massless chiral particles that can be viewed as magnetic monopoles in momentum space) in the bulk and unique Fermi arcs generated by topological surface states, but also exhibits appealing physical properties such as extremely large magnetoresistance and ultra-high carrier mobility. Here, by performing angle-resolved photoemission spectroscopy (ARPES) on NbP and TaP, we directly observed their band structures with characteristic Fermi arcs of TWSs. Furthermore, by systematically investigating NbP, TaP and TaAs from the same transition metal monopnictide family, we discovered their Fermiology evolution with spin-orbit coupling (SOC) strength. Our experimental findings not only reveal the mechanism to realize and fine-tune the electronic structures of TWSs, but also provide a rich material base for exploring many exotic physical phenomena (for example, chiral magnetic effects, negative magnetoresistance, and the quantum anomalous Hall effect) and novel future applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Tuning the Chern number in quantum anomalous Hall insulators

A quantum anomalous Hall (QAH) state is a two-dimensional topological insulating state that has a quantized Hall resistance of h/(Ce 2 ) and vanishing longitudinal resistance under zero magnetic field (where h is the Planck constant, e is the elementary charge, and the Chern number C is an integer). The QAH effect has been realized in magnetic topological insulators and magic-angle twisted bilayer graphene. However, the QAH effect at zero magnetic field has so far been realized only for C = 1. Here we realize a well quantized QAH effect with tunable Chern number (up to C = 5) in multilayer structures consisting of alternating magnetic and undoped topological insulator layers, fabricated using molecular beam epitaxy. The Chern number of these QAH insulators is determined by the number of undoped topological insulator layers in the multilayer structure. Moreover, we demonstrate that the Chern number of a given multilayer structure can be tuned by varying either the magnetic doping concentration in the magnetic topological insulator layers or the thickness of the interior magnetic topological insulator layer. We develop a theoretical model to explain our experimental observations and establish phase diagrams for QAH insulators with high, tunable Chern number. Furthermore, the realization of such insulators facilitates the application of dissipationless chiral edge currents in energy-efficient electronic devices, and opens up opportunities for developing multi-channel quantum computing and higher-capacity chiral circuit interconnects.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Machine learning prediction of connectivity, biodiversity and resilience in the Coral Triangle

Abstract Even optimistic climate scenarios predict catastrophic consequences for coral reef ecosystems by 2100. Understanding how reef connectivity, biodiversity and resilience are shaped by climate variability would improve chances to establish sustainable management practices. In this regard, ecoregionalization and connectivity are pivotal to designating effective marine protected areas. Here, machine learning algorithms and physical intuition are applied to sea surface temperature anomaly data over a twenty-four-year period to extract ecoregions and assess connectivity and bleaching recovery potential in the Coral Triangle and surrounding oceans. Furthermore, the impacts of the El Niño Southern Oscillation (ENSO) on biodiversity and resilience are quantified. We find that resilience is higher for reefs north of the Equator and that the extraordinary biodiversity of the Coral Triangle is dynamic in time and space, and benefits from ENSO. The large-scale exchange of genetic material is enhanced between the Indian Ocean and the Coral Triangle during La Niña years, and between the Coral Triangle and the central Pacific in neutral conditions. Through machine learning the outstanding biodiversity of the Coral Triangle, its evolution and the increase of species richness are contextualized through geological times, while offering new hope for monitoring its future.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

The effect of oxygen vacancies on water wettability of transition metal based SrTiO 3 and rare-earth based Lu 2 O 3

Understanding the structural, physical and chemical properties of the surface and interfaces of different metal-oxides and their possible applications in photo-catalysis and biology is a very important emerging research field. Motivated in this direction, this article would enable understanding of how different fluids, particularly water, interact with oxide surfaces. We have studied the water contact angle of 3d transition metal oxide thin films of SrTiO 3 , and of 4f rare-earth oxide thin films of Lu 2 O 3 . These metal oxides were grown using pulsed laser deposition and they are atomically flat and with known orientation and explicitly characterized for their structure and composition. Further study was done on the effects of oxygen vacancies on the water contact angle of the 3d and 4f oxides. For 3d SrTiO 3 oxide with oxygen vacancies, we have observed an increase in hydroxylation with consequent increase of wettability which is in line with the previous reports whereas an interesting opposite trend was seen in the case of rare-earth Lu 2 O 3 oxide. Density functional theory simulations of water interaction on the above mentioned systems have also been presented to further substantiate our experimental findings.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Magnetic field generation by surface plasma wave over a rippled metallic surface

A surface plasma wave propagating over the rippled metallic surface produces static magnetic field via nonlinear coupling of electron velocity with density ripple. The generated magnetic field shows a resonant enhancement at particular values of ripple number. Magnetic field strength is also sensitive to plasma density and decreases at lower plasma densities. The generated magnetic field over a rippled metallic field is larger by an order of magnitude as compared to a planar metallic surface.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Extensions of ion orbit loss theory

Theoretical refinements to an existing model for the loss of ions by drifting across the last closed flux surface are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Photo-induced wettability of TiO{sub 2} film with Au buffer layer

The effect of thickness of Au buffer layer (15-25 nm) between TiO{sub 2} film and substrate on the wettability of TiO{sub 2} films is reported. TiO{sub 2} films grown on Au buffer layer have a higher contact angle of 96-;100° as compared to 47.6o for the film grown without buffer layer. The transition from hydrophobicity to hydrophilicity under UV irradiation occurs within 10 min. for the buffer layered films whereas it is almost 30 min. for the film grown without buffer layer. The enhanced photo induced hydrophilicity is shown to be surface energy driven.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

A tunable hemispherical platform for non-stretching curved flexible electronics and optoelectronics

One major challenge in incorporating flexible electronics or optoelectronics on curved surfaces is the requirement of significant stretchability. We report a tunable platform for incorporating flexible and yet non-stretching device layers on a hemisphere. In this configuration, an array of planar petals contractively maps onto the surface of an inflatable hemisphere through elastocapillary interactions mediated by an interface liquid. A mechanical model is developed to elucidate the dependence of the conformality of the petal structures on their elastic modulus and thickness and the liquid surface tension. The modeling results are validated against experimental results obtained using petal structures of different thicknesses, restoring elastic spring elements of different spring constants, and liquids with different surface tension coefficients. Our platform will enable facile integration of non-stretching electronic and optoelectronic components prepared using established planar fabrication techniques on tunable hemispherical surfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Optical coherence tomography for nondestructive evaluation of fuel rod degradation

Nuclear power plants regularly inspect fuel rods to ensure safe and reliable operation. Excessive corrosion can cause fuel failures which can have significant repercussions for the plant, including impacts on plant operation, worker exposure to radiation, and the plant's INPO rating. While plants typically inspect for fuel rod corrosion using eddy current techniques, these techniques have known issues with reliability in the presence of tenacious, ferromagnetic crud layers that can deposit during operation, and the nondestructive evaluation (NDE) inspection results can often be in error by a factor of 2 or 3. For this reason, alternative measurement techniques, such as Optical Coherence Tomography (OCT), have been evaluated that are not sensitive to the ferromagnetic nature of the crud. This paper demonstrates that OCT has significant potential to characterize the thickness of crud layers that can deposit on the surfaces of fuel rods during operation. Physical trials have been performed on simulated crud samples, and the resulting data show an apparent correlation between the crud layer thickness and the OCT signal.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Synchrotron-based ambient pressure X-ray photoelectron spectroscopy of hydrogen and helium

Contrary to popular belief, it is possible to obtain X-ray photoelectron spectra for elements lighter than lithium, namely hydrogen and helium. The literature is plagued with claims of this impossibility, which holds true for lab-based X-ray sources. However, this limitation is merely technical and is related mostly to the low X-ray photoionization cross-sections of the 1s orbitals of hydrogen and helium. Here, we show that, using ambient pressure X-ray photoelectron spectroscopy (XPS), a bright-enough X-ray source allows the study of these elusive elements. This has important implications in the understanding of the limitations of one of the most useful techniques in materials science, and moreover, it potentially opens the possibility of using XPS to directly study the most abundant element in the universe.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Direct synthesis of biaxially textured nickel disilicide thin films by magnetron sputter deposition on low-cost metal tapes for flexible silicon devices

Nickel silicides are widely used as contact materials for electronic devices based on silicon (Si). However, they have been predominantly fabricated by annealing separate Ni and Si phases which leads to phase and structural complexity. In this letter, direct epitaxial growth of a single-phase nickel disilicide (NiSi 2 ) thin film by sputter deposition of NiSi 2 is achieved on low-cost and flexible Hastelloy tapes which offers a promising route to fabricate low-cost, flexible electronic devices. Biaxially textured titanium nitride (TiN) is applied as the seeding layer and the diffusion barrier under NiSi 2 . An epitaxial relationship of (001)$\langle$100$\rangle$NiSi 2 ∥ (001)$\langle$110$\rangle$TiN is observed with an extra-large lattice mismatch (~10.3%) between NiSi 2 and TiN. Both the bonding similarity and the passivation effect by hydrogen promote the epitaxial growth of NiSi 2 on TiN. The flat and smooth NiSi 2 thin film consists of grains with a size of 50–100 nm. An epitaxially grown Si film on NiSi 2 further demonstrates the potential of manufacturing high-performance Si flexible electronics with NiSi 2 /TiN/Hastelloy as the direct contact through this approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods

In this paper, we introduce two new approaches to compute near-degenerate electronic states based on the driven similarity renormalization group (DSRG) framework. The first approach is a unitary multi-state formalism based on the DSRG (MS-DSRG), whereby an effective Hamiltonian is built from a set of state-specific solutions. The second approach employs a dynamic weighting parameter to smoothly interpolate between the multi-state and the state-averaged DSRG schemes. The resulting dynamically weighted DSRG (DW-DSRG) theory incorporates the most desirable features of both multi-state approaches (ability to accurately treat many states) and state-averaged methods (correct description of avoided crossings and conical intersections). We formulate second-order perturbation theories (PT2) based on the MS- and DW-DSRG and study the potential energy curves of LiF, the conical intersection of the two lowest singlet states of NH 3 , and several low-lying excited states of benzene, naphthalene, and anthracene. The DW-DSRG-PT2 predicts the correct avoided crossing of LiF and avoids artifacts produced by the corresponding state-specific and multi-state theories. Excitation energies of the acenes computed with the DW-DSRG-PT2 are found to be more accurate than the corresponding state-averaged values, showing a small dependence on the number of states computed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗