Defect structure of NiO and rates and mechanisms of formation from atomic oxygen and nickel
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Christian, J. D.↗
SEARCH · Engineering Papers
Results for “structure formation”
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The mesoscale order of nacreous pearls
A pearl’s distinguished beauty and toughness are attributable to the periodic stacking of aragonite tablets known as nacre. Nacre has naturally occurring mesoscale periodicity that remarkably arises in the absence of discrete translational symmetry. Gleaning the inspiring biomineral design of a pearl requires quantifying its structural coherence and understanding the stochastic processes that influence formation. By characterizing the entire structure of pearls (~3 mm) in a cross-section at high resolution, we show that nacre has medium-range mesoscale periodicity. Self-correcting growth mechanisms actively remedy disorder and topological defects of the tablets and act as a countervailing process to long-range disorder. Nacre has a correlation length of roughly 16 tablets (~5.5 µm) despite persistent fluctuations and topological defects. For longer distances (>25 tablets ~8.5 µm), the frequency spectrum of nacre tablets follows f –1.5 behavior, suggesting that growth is coupled to external stochastic processes—a universality found across disparate natural phenomena, which now includes pearls.
36 MATERIALS SCIENCE↗
What is Important? Morphological Asymmetries are Useful Predictors of Star Formation Rates of Star-forming Galaxies in SDSS Stripe 82
The morphology and structure of galaxies reflect their star formation and assembly histories. We use the framework of mutual information (MI) to quantify the interdependence among several structural variables and to rank them according to their relevance for predicting the specific star formation rate (SSFR) by comparing the MI of the predictor variables with the SSFR and penalizing variables that are redundant. We apply this framework to study ~3700 face-on star-forming galaxies (SFGs) with varying degrees of bulge dominance and central concentration and with stellar mass $M$ * ≈ 10 9 $M$ ⊙ at redshift $z$ = 0.02–0.12. We use the Sloan Digital Sky Survey (SDSS) Stripe 82 deep $i$-band imaging data, which improve measurements of asymmetry and bulge dominance indicators. We find that star-forming galaxies are a multiparameter family. In addition to $M$ * , asymmetry emerges as the most powerful predictor of SSFR residuals of SFGs, followed by bulge prominence/concentration. Star-forming galaxies with higher asymmetry and stronger bulges have higher SSFR at a given $M$ * . In conclusion, the asymmetry reflects both irregular spiral arms and lopsidedness in seemingly isolated SFGs and structural perturbations by galaxy interactions or mergers.
79 ASTRONOMY AND ASTROPHYSICS↗
MHD simulations of cold bubble formation from 2/1 tearing mode during massive gas injection in a tokamak
Massive gas injection (MGI) experiments have been carried out in many tokamaks to study disruption dynamics and mitigation schemes. Two events often observed in those experiments are the excitation of the m = 2, n = 1 magnetohydrodynamic mode, and the formation of cold bubble structure in the temperature distribution before the thermal quench (TQ). Here m is the poloidal mode number, n the toroidal mode number. The physics mechanisms underlying those phenomena, however, have not been entirely clear. In this work, our recent NIMROD simulations of the MGI process in a tokamak have reproduced the main features of both events, which has allowed us to examine and establish the causal relation between them. In these simulations, the 3/1 and 2/1 islands are found to form successively after the arrival of impurity ion cold front at the corresponding q = 3 and q = 2 rational surfaces. At the interface between impurity and plasma, a local thin current sheet forms due to an enhanced local pressure gradient and moves inward following the gas cold front, this may contribute to the formation of a dominant 2/1 mode. Following the growth of the 2/1 tearing mode, the impurity penetration into the core region inside the q = 2 surface gives rise to the formation of the cold bubble temperature structure and initiates the final TQ. Here, a subdominant 1/1 mode developed earlier near the q = 1 surface alone does not cause such a cold bubble formation, however, the exact manner of the preceding impurity penetration depends on the nature of the 1/1 mode: kink-tearing or quasi-interchange.
2/1 tearing mode↗
Eruptive patterns and structure of Isla Fernandina, Galapagos Islands, from SPOT-1 HRV and large format camera images
SPOT-1 HRV, and large format-camera images were used to investigate the distribution and structure of erupted materials on Isla Fernandina, Galapagos Islands. Maps of lava flows, fissures, cones and topography derived from these data allow the first study of the entire subaerial segment of this geographically remote and ecologically sensitive volcano. No significant departure from a uniform distribution of erupted lava with azimuth can be detected. Short (less than 4 km) lava flows commonly have their source in the summit region and longer (greater than 8 km) lava flows originate from vents at lower elevations. Catastrophic landslides are proposed as a possible explanation for the asymmetry of the coastline with respect to the caldera.
Munro, Duncan C.↗
In Situ Transmission Electron Microscopy Study of Conductive Filament Formation in Copper Oxides
The structural and electrical property changes of two types of copper oxides (CuO and Cu 2 O) under voltage bias are studied with in situ transmission electron microscopy (TEM). The phases of different materials are confirmed with electron diffraction. In both types of oxides, dynamic conductive path formation and dissolution are observed. The decrease in resistance of CuO film is found to be accompanied with the formation of Cu 4 O 3 phase where the electric field strength is highest. We also find that the decrease in resistivity of Cu 2 O film is more extensive and occurs in an area depending on the level of current compliance. In conclusion, the physical mechanisms responsible for the observations and their implications for the formation of conducting regions in copper oxide-based memristors are discussed.
36 MATERIALS SCIENCE↗
Influence of AA6061 surface preparation on the resistance to surface degradation of thermally grown boehmite films
Understanding substrate–coating interactions is crucial for designing durable, corrosion-resistant systems. This study investigates the effects of surface treatments— polishing, acid etching, and alkaline etching—on AA6061 aluminum alloy and its thermally grown boehmite coatings. Surface treatments were found to significantly alter boehmite film properties by modifying the alloy’s surface composition. X-ray photoelectron spectroscopy revealed a 10% alumina drop after acid etching alongside chemisorbed species formation in wet treatments. Structural analysis, including grazing incidence X-ray diffraction and TEM, showed α-Al 2 O 3 formation on polished surfaces, improving wear resistance but inducing cathodic E corr shifts, pointing to higher corrosion susceptibility. In contrast, acid and alkaline etching produced anodic E corr shifts with stable, pit-free films observed via potentiodynamic scans. Electrochemical impedance spectroscopy highlighted reduced oxide resistance with extended boehmite growth. The findings emphasize the role of surface pre-treatments and boehmite optimization in balancing durability and corrosion resistance for AA6061 substrates.
AA6061↗
What Determines the fcc-bcc Structural Transformation in Shock Compressed Noble Metals?
Abstract not provided
Sharma, Surinder M.↗
Seasonal/Spatial Vertical New Particle Formation Variation Study (SSVNV) Field Campaign Report
The Seasonal/Spatial Vertical NPF Variation Study (SSVNV) campaign was conducted to investigate vertically resolved aerosol variability, boundary-layer structure, and new particle formation (NPF) processes across contrasting atmospheric environments through coordinated tethered balloon system (TBS) observations during U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) User Facility fixed-site measurements (Dexheimer et al. 2026). The campaign leveraged the overlapping deployments of the third ARM Mobile Facility (AMF3) at Bankhead National Forest (BNF; Kuang et al. 2023, 2026), Alabama, and the first ARM Mobile Facility 1 (AMF1) Coast-Urban-Rural Gradient Atmospheric Experiment (CoURAGE) in the Baltimore region. The campaign was operated by the TBS team led by Darielle Dexheimer from Sandia National Laboratories, in collaboration with the BNF site science team lead by Chongai Kuang from Brookhaven National Laboratory and the ARM team.
54 ENVIRONMENTAL SCIENCES↗
Modeling Molecular Hydrogen in Low-metallicity Galaxies
We use a suite of hydrodynamics simulations of the interstellar medium (ISM) within a galactic disk, which includes radiative transfer, a nonequilibrium model of molecular hydrogen, and a realistic model for star formation and feedback, to study the structure of the ISM and H 2 abundance as a function of local ISM properties. We show that the star formation rate and structure of the ISM are sensitive to the metallicity of the gas with a progressively smoother density distribution with decreasing metallicity. In addition to the well-known trend of the H I–H 2 transition shifting to higher densities with decreasing metallicity, the maximum achieved molecular fraction in the ISM drops drastically at Z ≲ 0.2 Z ⊙ as the formation time of H 2 becomes much longer than a typical lifetime of dense regions of the ISM. We present accurate fitting formulae for both volumetric and projected ƒ H 2 measured on different scales as a function of gas metallicity, UV radiation field, and gas density. We show that when the formulae are applied to the patches in the simulated galaxy, the overall molecular gas mass is reproduced to better than a factor of ≲1.5 across the entire range of metallicities and scales. We also show that the presented fit is considerably more accurate than any of the previous ƒ H 2 models and fitting formulae in the low-metallicity regime. The fit can thus be used for modeling molecular gas in low-resolution simulations and semi-analytic models of galaxy formation in the dwarf and high-redshift regimes.
79 ASTRONOMY AND ASTROPHYSICS↗
Cadmium sulfide solar cells
Development, fabrication and applications of CdS solar cells are reviewed in detail. The suitability of CdS cells for large solar panels and microcircuitry, and their low cost, are emphasized. Developments are reviewed by manufacturer-developer. Vapor phase deposition of thin-film solar cells, doping and co-evaporation, sputtering, chemical spray, and sintered layers are reviewed, in addition to spray deposition, monograin layer structures, and silk screening. Formation of junctions by electroplating, evaporation, brushing, CuCl dip, and chemiplating are discussed, along with counterelectrode fabrication, VPD film structures, the Cu2S barrier layer, and various photovoltaic effects (contact photovoltage, light intensity variation, optical enhancement), and various other CdS topics.
Stanley, A. G.↗
Large-scale structure in a texture-seeded cold dark matter cosmogony
This paper studies the formation of large-scale structure by global texture in a flat universe dominated by cold dark matter. A code for evolution of the texture fields was combined with an N-body code for evolving the dark matter. The results indicate some promising aspects: with only one free parameter, the observed galaxy-galaxy correlation function is reproduced, clusters of galaxies are found to be significantly clustered on a scale of 20-50/h Mpc, and coherent structures of over 50/h Mpc in the galaxy distribution were found. The large-scale streaming motions observed are in good agreement with the observations: the average magnitude of the velocity field smoothed over 30/h Mpc is 430 km/sec. Global texture produces a cosmic Mach number that is compatible with observation. Also, significant evolution of clusters at low redshift was seen. Possible problems for the theory include too high velocity dispersions in clusters, and voids which are not as empty as those observed.
Park, Changbom↗
The Sensitivity of Large-Eddy Simulation to Local and Nonlocal Drag Coefficients at the Lower Boundary
It was found that the homogeneity of the surface drag coefficient plays an important role in the large scale structure of turbulence in large-eddy simulation of the convective atmospheric boundary layer. Particularly when a ground surface temperature was specified, large horizontal anisotropies occurred when the drag coefficient depended upon local velocities and heat fluxes. This was due to the formation of streamwise roll structures in the boundary layer. In reality, these structures have been found to form when shear is approximately balanced by buoyancy. The present cases, however, were highly convective. The formation was caused by particularly low values of the drag coefficient at the entrance to thermal plume structures.
Schowalter, D. G.↗
High-pressure response of vibrational properties of b-As x P 1– x : in situ Raman studies
The structural evolution of black arsenic-phosphorous (b-As x P 1–x ) alloys with varying arsenic concentrations was investigated under hydrostatic pressure using in situ Raman spectroscopy. High-pressure experiments were conducted using a diamond anvil cell, which revealed pressure-induced shifts in vibrational modes associated with P–P bonds (A 1 g , A 2 g , ${B}_{2g}$), As–As bonds (A 1 g , A 2 g , ${{B}}_{2g}$), and As–P bonds in b-As x P 1–x alloys. Two distinct pressure regimes were observed. In the first regime (region I), all vibrational modes exhibited a monotonic upshift, indicating phonon hardening due to hydrostatic pressure. In the second regime (region II), As 0.4 P 0.6 and As 0.6 P 0.4 alloys displayed a linear blueshift (or negligible change in some modes) at a reduced rate, suggesting local structural reorganization with less compression on the bonds. Notably, the alloy with the highest As concentration, As 0.8 P 0.2 , exhibited anomalous behavior in the second pressure regime, with a downward shift observed in all As–As and As–P Raman modes (and some P–P modes). Interestingly, the emergence of new peaks corresponding to the E g mode and A 1g mode of the gray-As phase was observed in this pressure range, indicating compressive strain-induced structural changes. The anomalous change in region II confirms the formation of a new local structure, characterized by elongation of the P–P, As–As, and As–P bonds along the zigzag direction within the b-As x P 1–x phase, possibly near the grain boundary. Additionally, a gray-As phase undergoes compressive structural changes. This study underscores the significance of pressure in inducing structural transformations and exploring novel phases in two-dimensional materials, including b-As x P 1–x alloys.
36 MATERIALS SCIENCE↗
Symmetry-mode analysis for local structure investigations using pair distribution function data
Symmetry-adapted distortion modes provide a natural way of describing distorted structures derived from higher-symmetry parent phases. Structural refinements using symmetry-mode amplitudes as fit variables have been used for at least ten years in Rietveld refinements of the average crystal structure from diffraction data; more recently, this approach has also been used for investigations of the local structure using real-space pair distribution function (PDF) data. Here, the value of performing symmetry-mode fits to PDF data is further demonstrated through the successful application of this method to two topical materials: TiSe2, where a subtle but long-range structural distortion driven by the formation of a charge-density wave is detected, and MnTe, where a large but highly localized structural distortion is characterized in terms of symmetry-lowering displacements of the Te atoms. Here, the analysis is performed using fully open-source code within the DiffPy framework via two packages developed for this work: isopydistort, which provides a scriptable interface to the ISODISTORT web application for group theoretical calculations, and isopytools, which converts the ISODISTORT output into a DiffPy-compatible format for subsequent fitting and analysis. These developments expand the potential impact of symmetry-adapted PDF analysis by enabling high-throughput analysis and removing the need for any commercial software.
36 MATERIALS SCIENCE↗
TRACE Input Modernization
This work presents a Tom’s Obvious Minimal Language (TOML)-based representation of input for the US Nuclear Regulatory Commission’s TRAC/RELAP Advanced Computational Engine (TRACE) thermal hydraulics code. Implemented using the Workbench Analysis Sequence Processor (WASP), the approach maps traditional TRACE input structures to a hierarchical format composed of named parameters, typed values, and native data collections. The resulting representation preserves TRACE’s existing modeling capabilities while providing a modern, structured interface for model development and management. WASP further extends TOML through a file import directive that supports modular model composition and reusable input organization. In addition, WASP provides extended array data entry convenience with various data repeat and interpolation capabilities. Examples of the new TOML syntax are provided for major TRACE input categories, including hydraulic components, heat structures, control systems, and trip logic. The TOML representation establishes a foundation for improved validation, tooling, automation, and model maintainability while remaining compatible with existing TRACE workflows. To facilitate migration to the TOML-based input format, the TRACE executable now supports conversion of native TRACE input into an intermediate JSON representation. A Python utility subsequently transforms the JSON data into an equivalent TOML model. Lastly, the TRACE executable now supports execution using TOML-formatted input.
Lefebvre, Robert A. [Oak Ridge National Laboratory↗
Defect chemistry of Cr-B binary and Cr-Al-B MAB phases: Effects of covalently bonded B networks
Transition metal borides, which are three-dimensional (3D) layered materials containing covalently bonded B networks, have shown a number of excellent properties, such as radiation resistance and the ability to act as a diffusion barrier in integrated circuits. However, defect behavior, which controls many of the materials’ properties, has remained unknown in these materials. In this work, we investigate the effects of the B networks on the defect chemistry in both binary borides (CrB, Cr 3 B 4 , Cr 2 B 3 ) and ternary MAB phases (Cr 2 AlB 2 , Cr 3 AlB 4 , Cr 4 AlB 6 ) using first-principles calculations. We find that increasing the number of B rings in the structure leads to lower formation energies and higher concentrations of Frenkel pairs. The results can be explained by the fact that the strongest Cr-B bond is weakened when borides have more B rings, leading to a reduction in the formation energy of Cr and B vacancies. Also, the bonds associated with Cr atoms bonded within B rings are softer in structures containing more B rings, which allows Cr interstitials to form with a lower energy cost and contributes to an increase in the concentration of Cr interstitials.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
The Deep Structure of Lunar Basins: Clues to the Understanding of Basin Formation and Modification
Basin excavation has played a major role in shaping the surface and subsurface of the Moon. Though photogeologic observations provide estimates for the present volumes of lunar impact basins and their ejecta deposits, there is not sufficient information to describe completely either the geometry of the basins at the time of impact or their modification with time. Determination of the structure of the crust and upper mantle beneath large basins can provide important insight into the thermal and mechanical processes associated with basin formation and modification as well as the differences in these processes as functions of basin age and size. Using observed gravity and topography together with the seismically determined crustal thickness of the central nearside, a model for the structure of the crust and upper mantle of the nearside of the Moon is presented. With this model the deep structure of the largest lunar basins are compared. The implications for the processes of basin formation and modification at different stages in lunar history are explored.
Bratt, S. R.↗