Room-Temperature in Vacuo Chemisorption of Xenon Atoms on Ru(0001) under Interface Confinement
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99 GENERAL AND MISCELLANEOUS↗
SEARCH · Engineering Papers
Results for “dimensional changes”
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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Elevated Temperature Photophysical Properties and Morphological Stability of CdSe and CdSe/CdS Nanoplatelets
Elevated temperature optoelectronic performance of semiconductor nanomaterials remains an important issue for applications. Here we examine two-dimensional CdSe nanoplatelets (NPs) and CdS/CdSe/CdS shell/core/shell sandwich NPs at temperatures ranging from 300-700 K using static and transient spectroscopies as well as in-situ transmission electron microscopy. NPs exhibit reversible changes in PL intensity, spectral position, and emission linewidth with temperature elevation up to ~500 K, losing a factor of ~8 to 10 in PL intensity at 400 K relative to ambient. Temperature elevation above ~500 K yields thickness dependent, irreversible degradation in optical properties. Electron microscopy relates stability of the NP morphology up to near 600 K followed by sintering and evaporation at still higher temperatures. The mechanism of reversible PL loss, based on differences in decay dynamics between time-resolved photoluminescence and transient absorption, arise primarily from hole trapping in both NPs and sandwich NPs.
Rowland, Clare E.↗
Valley Manipulation by Optically Tuning the Magnetic Proximity Effect in WSe 2 /CrI 3 Heterostructures
Monolayer valley semiconductors, such as tungsten diselenide (WSe 2 ), possess valley pseudospin degrees of freedom that are optically addressable but degenerate in energy. Lifting the energy degeneracy by breaking time-reversal symmetry is vital for valley manipulation. This has been realized by directly applying magnetic fields or via pseudomagnetic fields generated by intense circularly polarized optical pulses. However, sweeping large magnetic fields is impractical for devices, and the pseudomagnetic fields are only effective in the presence of ultrafast laser pulses. The recent rise of two-dimensional (2D) magnets unlocks new approaches to controlling valley physics via van der Waals heterostructure engineering. Here, we demonstrate the wide continuous tuning of the valley polarization and valley Zeeman splitting with small changes in the laser-excitation power in heterostructures formed by monolayer WSe 2 and 2D magnetic chromium triiodide (CrI 3 ). The valley manipulation is realized via the optical control of the CrI 3 magnetization, which tunes the magnetic exchange field over a range of 20 T. Lastly, our results reveal a convenient new path toward the optical control of valley pseudospins and van der Waals magnetic heterostructures.
2D magnets↗
Structural diversity in binary superlattices self-assembled from polymer-grafted nanocrystals
Multicomponent nanocrystal superlattices represent an interesting class of material that derives emergent properties from mesoscale structure, yet their programmability can be limited by the alkyl-chain-based ligands decorating the surfaces of the constituent nanocrystals. Polymeric ligands offer distinct advantages, as they allow for more precise tuning of the effective size and ‘interaction softness’ through changes to the polymer’s molecular weight, chemical nature, architecture, persistence length and surrounding solvent. Here we show the formation of 10 different binary nanocrystal superlattices (BNSLs) with both two- and three-dimensional order through independent adjustment of the core size of spherical nanocrystals and the molecular weight of densely grafted polystyrene ligands. These polymer-brush-based ligands introduce new energetic contributions to the interparticle potential that stabilizes various BNSL phases across a range of length scales and interparticle spacings. In conclusion, our study opens the door for nanocrystals to become modular elements in the design of functional particle brush solids with controlled nanoscale interfaces and mesostructures.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Formation of an interconnected network of iron melt at Earth’s lower mantle conditions
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catalysis (heterogeneous)↗
Pressure-stimulus-responsive behaviors of core–shell InP/ZnSe nanocrystals: remarkable piezochromic luminescence and structural assembly
Piezochromic luminescence materials with optical properties can be adjusted (the colors most sensitive to the human eye range from red to green) to provide powerful means for information acquisition in various applications. Inorganic quantum dots, typically based on heavy metals such as cadmium and lead, have congenital advantages as luminescence materials, including strong inoxidizability and excellent photoelectric properties. However, small band-gap shifts under pressure have hindered the development of inorganic-based piezochromic materials. In this study, we combined in situ high-pressure photoluminescence (PL) and absorption measurements with synchrotron X-ray scattering spectra to elucidate the remarkable modulation of optical properties and morphologies by pressure, particularly that of the piezochromic luminescence, in all-inorganic core–shell InP/ZnSe nanocrystals (NCs). We observed a stepwise PL color change from red to green, and an ultrabroad bandgap tunability of 0.46 eV was observed from 1.99 to 2.45 eV in the pressure range of 14.2 GPa for InP/ZnSe NCs. Moreover, two-dimensional (2D) InP/ZnSe nanosheets were synthesized by the stress-driven attachment of nanoparticles. These results demonstrate the ability of the pressure-stimulus response to trigger remarkable piezochromic luminescence and 2D nanosheet assembly in InP/ZnSe NCs, which paves the way for new applications of all-inorganic InP-based semiconductor NCs.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Two-dimensional electron gases in strained quantum wells for AlN/GaN/AlN double heterostructure field-effect transistors on AlN
Double heterostructures of strained GaN quantum wells (QWs) sandwiched between relaxed AlN layers provide a platform to investigate the quantum-confined electronic and optical properties of the wells. The growth of AlN/GaN/AlN heterostructures with varying GaN quantum well thicknesses on AlN by plasma molecular beam epitaxy (MBE) is reported. Photoluminescence spectra provide the optical signature of the thin GaN QWs. Reciprocal space mapping in X-ray diffraction shows that a GaN layer as thick as ∼28 nm is compressively strained to the AlN layer underneath. The density of the polarization-induced two-dimensional electron gas (2DEG) in the undoped heterostructures increases with the GaN QW thickness, reaching ∼2.5 × 10{sup 13}/cm{sup 2}. This provides a way to tune the 2DEG channel density without changing the thickness of the top barrier layer. Electron mobilities less than ∼400 cm{sup 2}/Vs are observed, leaving ample room for improvement. Nevertheless, owing to the high 2DEG density, strained GaN QW field-effect transistors with MBE regrown ohmic contacts exhibit an on-current density ∼1.4 A/mm, a transconductance ∼280 mS/mm, and a cut off frequency f{sub T}∼104 GHz for a 100-nm-gate-length device. These observations indicate high potential for high-speed radio frequency and high voltage applications that stand to benefit from the extreme-bandgap and high thermal conductivity of AlN.
36 MATERIALS SCIENCE↗
Phase-coherent transport and spin relaxation in InAs nanowires grown by molecule beam epitaxy
We report low-temperature magnetotransport studies of individual InAs nanowires grown by molecule beam epitaxy. At low magnetic fields, the magnetoconductance characteristics exhibit a crossover between weak antilocalization and weak localization by changing either the gate voltage or the temperature. The observed crossover behavior can be well described in terms of relative scales of the transport characteristic lengths extracted based on the quasi-one-dimensional theory of weak localization in the presence of spin-orbit interaction. The spin relaxation length extracted from the magnetoconductance data is found to be in the range of 80–100 nm, indicating the presence of strong spin-orbit coupling in the InAs nanowires. Moreover, the amplitude of universal conductance fluctuations in the nanowires is found to be suppressed at low temperatures due to the presence of strong spin-orbit scattering.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Tuning of magnetic ordering by Y substitution onto Tb site in the nanocrystalline TbMnO{sub 3}
We report the magnetic properties, of nano-crystalline powders Tb{sub 1−x}Y{sub x}MnO{sub 3} (x = 0, 0.1, 0.2, 0.3 and 0.4), as perceived by neutron diffraction, and elucidate the effect of Tb site substitution on the magnetic structure of TbMnO{sub 3}. All samples crystallized in the orthorhombic structure conforming to space group Pnma, and exhibited an incommensurate collinear antiferromagnetic ordering of the Mn ions below ∼40 K. Furthermore, at T ≤ 20 K, all these samples showed a change in magnetic structure (of Mn moments) to a spiral ordering down to 2 K, the lowest measured temperature. For the samples with x = 0, 0.1, and 0.2, a short-ranged two dimensional (2D) ordering of Tb moments was also observed at 2 K. However, for the other samples (x = 0.3 and 0.4), no magnetic ordering of Tb moments was found down to 2 K. So with Y substitution, a crossover from 2D ordering to a disordering of Tb moments was observed. The moments at the Mn site were found to be lower than the full Mn{sup 3+} (4μ{sub B}) moment for all the samples below 40 K. The magnetic properties of all the samples studied by us in nano form are more pronounced than those of the reported single crystals of same compositions [V. Yu. Ivanov et al., JETP Lett. 91, 392–397 (2010)].
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
A tight-coupling scheme sharing minimum information across a spatial interface between gyrokinetic turbulence codes
A new scheme that tightly couples kinetic turbulence codes across a spatial interface is introduced. This scheme evolves from considerations of competing strategies and down-selection. It is found that the use of a composite kinetic distribution function and fields with global boundary conditions as if the coupled code were one makes the coupling problem tractable. In contrast, coupling the two solutions from each code across the overlap region is found to be more difficult due to numerical dephasing of the turbulent solutions between two solvers. Finally, another advantage of the new scheme is that the data movement can be limited to the 3D fluid quantities, instead of higher dimensional kinetic information, which is computationally more efficient for large scale simulations on leadership class computers.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Scattering theory in noncanonical phase space: A Drift-Kinetic collision operator for weakly collisional plasmas
After developing a scattering theory for grazing collisions in general noncanonical phase spaces, we introduce a guiding center collision operator in five-dimensional phase space designed for plasma regimes characterized by long wavelengths (relative to the Larmor radius), low frequencies (relative to the cyclotron frequency), and weak collisionality (where repeated Coulomb collisions induce cumulatively small changes in particle magnetic moment). The collision operator is fully determined by the noncanonical Hamiltonian structure of guiding center dynamics and exhibits a metriplectic structure, ensuring the conservation of particle number, momentum, energy, and interior Casimir invariants. It also satisfies an H-theorem, allowing for deviations from an equilibrium Maxwellian distribution due to the nontrivial kernel of the noncanonical guiding center Poisson tensor, spanned by the magnetic moment. We propose that this collision operator and its underlying mathematical structure may offer valuable insight into the study of turbulence, transport, and self-organizing phenomena in both laboratory and astrophysical plasmas.
Hamiltonian mechanics↗
NUMERICAL SIMULATION OF SOLAR MICROFLARES IN A CANOPY-TYPE MAGNETIC CONFIGURATION
Microflares are small activities in the solar low atmosphere; some are in the low corona while others are in the chromosphere. Observations show that some of the microflares are triggered by magnetic reconnection between the emerging flux and a pre-existing background magnetic field. We perform 2.5-dimensional, compressible, resistive magnetohydrodynamic simulations of the magnetic reconnection with gravity considered. The background magnetic field is a canopy-type configuration that is rooted at the boundary of the solar supergranule. By changing the bottom boundary conditions in the simulation, a new magnetic flux emerges at the center of the supergranule and reconnects with the canopy-type magnetic field. We successfully simulate the coronal and chromospheric microflares whose current sheets are located at the corona and the chromosphere, respectively. The microflare with a coronal origin has a larger size and a higher temperature enhancement than the microflare with a chromospheric origin. In the microflares with coronal origins, we also found a hot jet ({approx}1.8 Multiplication-Sign 10{sup 6} K), which is probably related to the observational extreme ultraviolet or soft X-ray jets, and a cold jet ({approx}10{sup 4} K), which is similar to the observational H{alpha}/Ca surges. However, there is only a H{alpha}/Ca bright point in the microflares that have chromospheric origins. The study of parameter dependence shows that the size and strength of the emerging magnetic flux are the key parameters that determine the height of the reconnection location, and they further determine the different observational features of the microflares.
79 ASTRONOMY AND ASTROPHYSICS↗
Quantitative Phosphoproteomics Identifies Filaggrin and other Targets of Ionizing Radiation in a Human Skin Model
Our objective here was to perform a quantitative phosphoproteomic study on a reconstituted human skin tissue to identify low and high dose ionizing radiation dependent signaling in a complex 3-dimensional setting. Application of an isobaric labeling strategy using sham and 3 radiation doses (3, 10, 200 cGy) resulted in the identification of 1113 unique phosphopeptides. Statistical analyses identified 151 phosphopeptides showing significant changes in response to radiation and radiation dose. Proteins responsible for maintaining skin structural integrity including keratins and desmosomal proteins (desmoglein, desmoplakin, plakophilin 1 and 2,) had altered phosphorylation levels following exposure to both low and high doses of radiation. A phosphorylation site present in multiple copies in the linker regions of human profilaggrin underwent the largest fold change. Increased phosphorylation of these sites coincided with altered profilaggrin processing suggesting a role for linker phosphorylation in human profilaggrin regulation. These studies demonstrate that the reconstituted human skin system undergoes a coordinated response to ionizing radiation involving multiple layers of the stratified epithelium that serve to maintain skin barrier functions and minimize the damaging consequences of radiation exposure.
59 BASIC BIOLOGICAL SCIENCES↗
SU-E-T-75: A Simple Technique for Proton Beam Range Verification
Purpose: To develop a measurement-based technique to verify the range of proton beams for quality assurance (QA). Methods: We developed a simple technique to verify the proton beam range with in-house fabricated devices. Two separate devices were fabricated; a clear acrylic rectangular cuboid and a solid polyvinyl chloride (PVC) step wedge. For efficiency in our clinic, we used the rectangular cuboid for double scattering (DS) beams and the step wedge for pencil beam scanning (PBS) beams. These devices were added to our QA phantom to measure dose points along the distal fall-off region (between 80% and 20%) in addition to dose at mid-SOBP (spread out Bragg peak) using a two-dimensional parallel plate chamber array (MatriXX™, IBA Dosimetry, Schwarzenbruck, Germany). This method relies on the fact that the slope of the distal fall-off is linear and does not vary with small changes in energy. Using a multi-layer ionization chamber (Zebra™, IBA Dosimetry), percent depth dose (PDD) curves were measured for our standard daily QA beams. The range (energy) for each beam was then varied (i.e. ±2mm and ±5mm) and additional PDD curves were measured. The distal fall-off of all PDD curves was fit to a linear equation. The distal fall-off measured dose for a particular beam was used in our linear equation to determine the beam range. Results: The linear fit of the fall-off region for the PDD curves, when varying the range by a few millimeters for a specific QA beam, yielded identical slopes. The calculated range based on measured point dose(s) in the fall-off region using the slope resulted in agreement of ±1mm of the expected beam range. Conclusion: We developed a simple technique for accurately verifying the beam range for proton therapy QA programs.
60 APPLIED LIFE SCIENCES↗
Influence of local river hydraulics on Kootenai River white sturgeon ( Acipenser transmontanus ) habitat selection during four spawning years, 2017–2020
Understanding fine-scale habitat selection of endangered Kootenai River white sturgeon ( Acipenser transmontanus) is an important component for monitoring and recovery efforts. Fine-scale habitat selection and quantifying temporal changes in suitable habitat contributes to the work of addressing recruitment failure within the Kootenai River population. Habitat suitability indices were developed using over 96 000 acoustic telemetry sturgeon detections and two-dimensional hydrodynamic model simulations near Bonners Ferry, Idaho, USA. The selected habitat was assessed to develop habitat suitability indices for sturgeon; females undergoing spawn migrations and non-spawners. The most frequented locations were 8–9 m deep and water velocities of 0.3–0.7 m·s −1 . These observations suggest sturgeon with different spawning capabilities selected similar habitat. Weighted usable area was calculated to understand temporal variability in habitat quality, which showed a positive relationship with increases in flow. Results help understand the habitat limiting factors in regulated hydrologic regimes; provide biologists insight for monitoring efforts in discrete habitat conditions; guidance for water managers and the regulation of upstream water resources; and guidance to restoration practitioners for in-stream structure designs.
Dudunake, Taylor J. (ORCID:0000000176502419)↗
Reactivity Initiated Accident Simulation to Inform Transient Testing of Candidate Advanced Cladding
Abstract. Advanced cladding materials with potentially enhanced accident tolerance will yield different light water reactor performance and safety characteristics than the present zirconium-based cladding alloys. These differences are due to different cladding material properties and responses to the transient, and to some extent, reactor physics, thermal, and hydraulic characteristics. Some of the differences in reactors physics characteristics will be driven by the fundamental properties (e.g., absorption in iron for an iron-based cladding) and others will be driven by design modifications necessitated by the candidate cladding materials (e.g., a larger fuel pellet to compensate for parasitic absorption). Potential changes in thermal hydraulic limits after transition from the current zirconium-based cladding to the advanced materials will also affect the transient response of the integral fuel. This paper leverages three-dimensional reactor core simulation capabilities to inform on appropriate experimental test conditions for candidate advanced cladding materials in a control rod ejection event. These test conditions are using three-dimensional nodal kinetics simulations of a reactivity initiated accident (RIA) in a representative state-of-the-art pressurized water reactor with both nuclear-grade iron-chromium-aluminum (FeCrAl) and silicon carbide based (SiC-SiC) cladding materials. The effort yields boundary conditions for experimental mechanical tests, specifically peak cladding strain during the power pulse following the rod ejection. The impact of candidate cladding materials on the reactor kinetics behavior of RIA progression versus reference zirconium cladding is predominantly due to differences in: (1) fuel mass/volume/specific power density, (2) spectral effects due to parasitic neutron absorption, (3) control rod worth due to hardened (or softened) spectrum, and (4) initial conditions due to power peaking and neutron transport cross sections in the equilibrium cycle cores due to hardened (or softened) spectrum. This study shows minimal impact of SiC-based cladding configurations on the transient response versus reference zirconium-based cladding. However, the FeCrAl cladding response indicates similar energy deposition, but with significantly shorter pulses of higher magnitude. Therefore the FeCrAl-based cases have a more rapid fuel thermal expansion rate and the resultant pellet-cladding interaction occurs more rapidly.
cladding mechanical performance↗
Effect of Irradiation on Strengthening of a Model Fe-9Cr Oxide Dispersion Strengthened Alloy
The growing energy demand will increasingly call upon advanced nuclear reactors to supply safe and reliable energy worldwide. However, structural and cladding materials in these reactors will be subject to extreme conditions of up to a few hundred displacements per atom (dpa) at temperatures as high as 600 deg. C. Oxide dispersion strengthened (ODS) alloys are leading candidates for these components because their dispersion of Y-Ti-O nanoclusters provides high strength at elevated temperatures and dimensional stability under irradiation. But recent work has suggested that the oxides are unstable under irradiation, which has serious implications on mechanical performance. Thus, the objective of this work is to understand the change in strengthening mechanisms of an Fe-9Cr ODS alloy under irradiation. We use two approaches to assess strengthening of a proton-irradiated and neutron-irradiated Fe-9Cr ODS. First, nanoindentation directly measures changes in yield strength. Second, microstructure measurements are passed through models of two strengthening mechanisms. Results of these two approaches are compared to infer the strengthening mechanisms in the irradiated ODS alloy. A model Fe-9Cr ODS steel was irradiated to 3 dpa at 500 deg. C using either 2.0 MeV protons or a fast neutron spectrum. Both irradiation types induced the formation of dislocation loops and voids. Both proton and neutron irradiation resulted in dissolution of oxide nanoclusters, though neutron irradiation led to much more extensive oxide nano-cluster dissolution. The irradiated microstructure was used to predict irradiation hardening by considering both the precipitation strengthening and solid solution strengthening mechanisms. Due to more extensive oxide nano-cluster dissolution under neutron irradiation, the solid solution strengthening mechanism must be considered in order for the predicted change in yield strength to be comparable to that measured by nanoindentation. (authors)
36 MATERIALS SCIENCE↗
Molecular-Scale Characterization of Photoinduced Charge Separation in Mixed-Dimensional InSe–Organic van der Waals Heterostructures
Layered indium selenide (InSe) is an emerging two-dimensional semiconductor that has shown significant promise for high-performance transistors and photodetectors. The range of optoelectronic applications for InSe can potentially be broadened by forming mixed-dimensional van der Waals heterostructures with zero-dimensional molecular systems that are widely employed in organic electronics and photovoltaics. Here, we report the spatially resolved investigation of photoinduced charge separation between InSe and two molecules (C 70 and C 8 -BTBT) using scanning tunneling microscopy combined with laser illumination. We experimentally and computationally show that InSe forms type-II and type-I heterojunctions with C 70 and C 8 -BTBT, respectively, due to an interplay of charge transfer and dielectric screening at the interface. Laser-excited scanning tunneling spectroscopy reveals a ~0.25 eV decrease in the energy of the lowest unoccupied molecular orbital of C 70 with optical illumination. Furthermore, photoluminescence spectroscopy and Kelvin probe force microscopy indicate that electron transfer from InSe to C 70 in the type-II heterojunction induces a photovoltage that quantitatively matches the observed downshift in the tunneling spectra. In contrast, no significant changes are observed upon optical illumination in the type-I heterojunction formed between InSe and C 8 -BTBT. Density functional theory calculations further show that, despite the weak coupling between the molecular species and InSe, the band alignment of these mixed-dimensional heterostructures strongly differs from the one suggested by the ionization potential and electronic affinities of the isolated components. Self-energy-corrected density functional theory indicates that these effects are the result of the combination of charge redistribution at the interface and heterogeneous dielectric screening of the electron–electron interactions in the heterostructure. In addition to providing specific insight for mixed-dimensional InSe–organic van der Waals heterostructures, this work establishes a general experimental methodology for studying localized charge transfer at the molecular scale that is applicable to other photoactive nanoscale systems.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗