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At least 343 records · Page 19

Hydrogen Diffusion in Slit Pores: Role of Temperature, Pressure, Confinement, and Roughness

Diffusion of hydrogen (H 2 ) is important to understand the leakage risk and transport behavior for H 2 geologic storage. We applied molecular dynamics simulations to investigate the influencing factors of H2 diffusion in the slit pores of calcite, hematite, and quartz, owing to their abundance. It is revealed that the H2 self-diffusion coefficient increases with the temperature, regardless of the type of pore minerals. The diffusion of H 2 in the 20 nm slit pores falls into the bulk diffusion regime when the pressure is 10 MPa. The self-diffusion of H 2 decreases with pressure in all three types of slit pores, following a power law model with the exponents ranging from -0.825 to -0.964. Furthermore, the impact of confinement on H 2 diffusion is more pronounced for the slit pores with stronger interactions with H 2 -like calcite. The role of surface roughness in H 2 diffusion depends on the slit aperture. The rough surface enhances H 2 diffusion in the larger slit pores due to the enlarged effective pore space, whereas it weakens H 2 diffusion in the small slit pores due to stronger adsorption. These findings will fill the knowledge gap on the coupling effect of different factors influencing H 2 diffusion.

08 HYDROGEN↗

Controlling Deformation in Al/Ti: How Interface Roughness and Orientation Drive Bimetal Mechanics

The microstructural characteristics and morphology of interfaces in metals can be crucial in governing the initiation of plasticity and early deformation mechanisms under extreme conditions. During high-strain-rate deformation, these interfaces significantly affect dislocation nucleation, twinning, and other mechanisms that directly impact material strength and failure. Despite their importance, a substantial knowledge gap remains between the observed macroscopic material behavior and the underlying role of bimetal interfaces in plasticity initiation. Here, to address this gap, large-scale molecular dynamics simulations are performed on Al/Ti bimetal structures to examine the effect of interface characteristics on the onset of plasticity under uniaxial compression. Specifically, this study investigates how interface roughness (flat vs waveform interfaces) modifies the initiation of plastic events in the microstructure. Atomistic simulations indicate that interface roughness (a microscopic behavior) reduces the stress required for dislocation nucleation, thereby reducing the peak stress relative to a flat interface. For the square interface, the step height strongly influences plasticity initiation by setting the separation of locally flat regions. Varying the interface rotation relative to the loading direction (macroscopic behavior) reveals that the peak stress for both flat and waveform interfaces initially decreases and then increases with rotation, accompanied by a shift in dominant mechanisms—from Al twinning (flat) to interface sliding and Ti-dominated phase transformation and twinning at lower angles. The change in the stress-strain slope during initial compression reflects how rotation alters the resolved shear stress and activates different slip systems. Overall, the study provides valuable insights into the role of bimetal interfaces in controlling plasticity initiation and early deformation pathways for Al/Ti under extreme loading conditions.

36 MATERIALS SCIENCE↗

Mediation of Colloidal Encounter Dynamics by Surface Roughness

Rigorous understanding on the self-assembly of colloidal nanocrystals is crucial to develop tailored nanostructured materials for energy storage, sensing, and optical fields. Despite extensive studies on the self-assembly, a mechanistic understanding of self-assembly under an external field still remains an ongoing challenge. Here, in this work, we used optical tweezers that impose an external attractive force field, resulting in the self-assembly of alpha-phase sodium yttrium fluoride nanocrystals. The dynamic force that is strongly dependent on the surface roughness of the nanocrystals is shown to be a decisive factor for a direct contact between the nanocrystals, manifested by the roughness-dependent hydrodynamic resistivity and Langevin dynamic simulations. Our study provides direct evidence that the role of dynamics is equally important in understanding the self-assembly, which has been rarely observed in the self-assembly in contrast with many studies on the equilibrium forces. These results may have further impact in other fields, such as having explanatory power for the probability of nonclassical crystal growth or the structure of viral spike proteins that affect the probability of viruses binding with cells.

Felsted, Robert G. [Univ. of Washington, Seattle, ↗

Role of humidity and surface roughness on direct wafer bonding

Bodies made from elastically stiff material usually bind very weakly unless the surfaces are flat and extremely smooth. In direct wafer bonding flat surfaces bind by capillary bridges and by the van der Waals interaction, which act between all solid objects. Here we study the dependency of the work of adhesion on the humidity and surface roughness in hydrophilic direct wafer bonding. We show that the long-wavelength roughness (usually denoted waviness) has a negligible influence on the strength of wafer bonding (the work of adhesion) from the menisci that form from capillary condensation of water vapor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Application of artificial intelligence methods in the international roughness index prediction of rigid and composite pavements: a systematic review

The International Roughness Index (IRI) is a widely adopted metric for quantifying pavement roughness, directly influencing vehicle safety, ride comfort, and overall roadway performance. In recent years, the use of Machine Learning (ML) models for IRI prediction has gained momentum, with the goal of improving the allocation of maintenance and rehabilitation resources by enabling accurate assessments of pavement conditions. Most prior reviews, however, have concentrated on flexible pavements, leaving a notable gap regarding rigid and composite pavements. To address this gap, the present study conducts a systematic review of Artificial Intelligence (AI) methods applied to IRI prediction for rigid and composite pavements. Literature published between 2004 and 2025 is synthesized to highlight prevailing trends, methodological contributions, and directions for future research. Particular attention is given to the types of models employed, the datasets used for training and validation, and the role of input variables and data-processing strategies. Across the included studies, ensemble learning methods (especially gradient boosting variants such as XGBoost), artificial neural networks, and hybrid architectures frequently achieved high predictive skill, with several models reporting test-set coefficients of determination approaching 0.9–0.96, indicating strong potential for capturing the influence of traffic, pavement structure, and climatic factors. Since these results are obtained from heterogeneous datasets and evaluation protocols, they are interpreted qualitatively rather than as strict cross-study rankings. Analysis of input variables revealed that pavement age and initial IRI were included in 91% (21 of 23) and 78% (18 of 23) of studies, respectively. Climatic variables such as the freezing index appeared in 57% (13 of 23), while traffic-related factors were considered in 65% (15 of 23). The findings underscore the importance of standardized, high-quality datasets, such as those from the Long-Term Pavement Performance (LTPP) program, along with data consistency, model interpretability, computational efficiency, and replicability in enhancing IRI prediction. Future research should focus on incorporating input variable selection techniques to identify the most influential predictors, thereby improving accuracy and robustness. Integrating these approaches with advanced non-linear data-driven models, coupled with robust hyperparameter optimization, holds considerable promise for strengthening the reliability of IRI prediction and supporting resilient pavement management strategies.

42 ENGINEERING↗

Uncertainty Quantification of Fatigue Behavior of Rough AM Surfaces and Microstructures to Enable Hydrogen Gas Turbine

Modifying fossil-fueled industrial gas turbines to utilize low or zero-carbon fuels, such as hydrogen or hydrogen-natural gas blends, is a complex endeavor. The successful implementation of this technology hinges on three key design criteria: (1) developing new fuel injectors capable of efficiently burning alternative fuels, (2) ensuring manufacturability to meet cost and time-to-market goals, and (3) achieving component durability in the demanding environment of an operating gas turbine. Additive manufacturing (AM) accelerates product development, yet concerns persist regarding the durability of parts with rough AM surfaces. A fully experimental approach to quantify the fatigue performance of rough AM microstructures is both costly and labor-intensive. To address this, ORNL and Solar Turbines Incorporated (Solar) employed a crystal plasticity finite element (CPFE) model to identify the factors influencing AM surface fatigue behavior. These CPFE findings, combined with targeted experimental data, were used to develop a computationally efficient surrogate model suitable for assessing the lifespan of gas turbine engine components.

08 HYDROGEN↗

Uncertainty Quantification of Fatigue Behavior of Rough AM Surfaces and Microstructures to Enable Hydrogen Gas Turbine Combustion

Modification of fossil-fueled industrial gas turbines to accept no/low carbon fuels (Hydrogen, H2/natural gas blends) is a significant undertaking. Successful deployment of this technology sits at the intersection of three design criteria (1) new functional fuel injectors that can burn these fuels, (2) manufacturability to meet cost and time-to-market targets, and (3) durability in the harsh environment of an operating turbine. Additive manufacturing (AM) provides accelerated product development. However, uncertainty remains around the durability of parts with rough AM surfaces. A fully experimental approach towards quantifying fatigue performance of rough AM microstructures is costly and laborious. Instead, Solar Turbines Incorporated (Solar) proposes the use of a crystal plasticity finite element (CPFE) model to quantify the factors that drive AM surface fatigue behavior. Solar will use the CPFE results, along with targeted experimental data, to train a computationally efficient surrogate model that can be incorporated into existing turbine part lifing methods.

08 HYDROGEN↗

Rough surface improves stability of air- sounding balloons

Aerodynamic stability of balloons used for measuring the intensity and direction of atmospheric winds at various elevations is improved by incorporating a rough surface on the balloons. The rough-surfaced balloon is useful for collecting wind profiles and other meteorological data.

Scoggins, J. R.↗

Effects of roughness on heating and boundary-layer transition. Part 1: Effects of simulated panel joints on boundary-layer transition

The effects of distributed roughness, arising from space shuttle orbiter panel joints, on boundary layer transition are investigated. The North American Rockwell 134B delta wing shuttle configuration was used for the study. Results show: (1) Premature boundary layer transition occurred in models having simulated heat shield panels with rased joints. (2) Laminar flow was maintained with slot type panel joint models to a Reynolds number twice that at which transition occurred in raised joints. (3) Significant increases in peak surface temperature and the time during which turbulent flow occurs may result from distributed roughness of heat shield panel joints. (4) Laminar and turbulent heating levels were predicted within available theories. (5) A complex interference between the wing and fuselage flow was observed in the delta wing model.

Seegmiller, H. L.↗

Directional behavior of thermal emission from a rough lunar surface.

The directionality is studied of the infrared emission from the lunar surface. A rough surface is postulated where the roughness is characterized by a crater field on a plain surface. The contour of the craters is assumed to be spherical. This makes it possible to determine the thermal emission on the basis of the temperature distribution obtained analytically by Adorjan (1970). By integrating the radiosities of both the craters and plain surfaces over a control area, and for given solar elevation and observation angles, the brightness temperatures are determined. The obtained results are presented in diagrams and discussed.

Adorjan, A. S.↗

Temperature of the rough lunar surface.

The effect of lunar surface roughness on the lunar surface temperatures is investigated. It is shown that the apparent surface temperature varies significantly according to the observation angle at a given solar elevation. This is due to the surface roughness which is postulated as a level surface interspersed with craters. The temperatures of craters and flat surfaces are obtained analytically. The apparent temperature is the result of the contribution of craters and flat regions whose ratio is derived from earth-based measurements. The results are compared with experimental data.

Adorjan, A. S.↗

Mechanism by which a two-dimensional roughness element induces boundary-layer transition.

An experimental investigation of the effect of two-dimensional roughness elements on boundary-layer transition is described. Primary emphasis is given to the nature of disturbances within the recovery zone. Detailed measurements of mean velocity distributions, of disturbance spectra, and intensity, growth, and decay of disturbances at discrete frequencies were made for a range of unit Reynolds numbers. The measurements demonstrate that the behavior can best be understood by considering wave-type disturbances, and that the basic mechanism by which a two-dimensional roughness element induces earlier transition to turbulent flow is by the destabilizing influence of the flow within the recovery zone.

Klebanoff, P. S.↗

Surface roughness effects on the supersonic aerodynamics of the Rockwell International 089B-139 orbiter

An experimental test program was conducted to determine the effects of vehicle surface roughness on the supersonic aerodynamic characteristics of a 0.01875 scale model of a space shuttle configuration. Surface roughness was simulated by applying a sparse coating of carborundum grit to complete model. Various grit sizes were investigated. The tests were conducted in a wind tunnel at Mach numbers from 1.60 to 4.63. The angle of attack was varied from about -2 deg to as much as 42 deg at 0 deg and + or - 3 deg of sideslip. The angle of sideslip was varied from -8 deg to 8 deg at angles of attack from 0 deg to 40 deg.

Ware, G. M.↗

Surface roughness effects on the subsonic aerodynamics of the Rockwell International 089B-139B orbiter

An experimental test program was conducted to determine the effects of vehicle surface roughness on the subsonic aerodynamic characteristics of a 0.01875 scale model of a Rockwell International Space Shuttle Configuration. Surface roughness was simulated by applying a sparce coating of carborundum grit to the complete model. Various grit sizes were investigated. Tests were conducted in the Langley Low Turbulence Pressure Tunnel at a constant nominal Mach number of 0.25 with Reynolds number varying from 2 to 12 x 10 to the 6th power per foot. Angle of attack was varied from about -2 to 28 deg at 0 deg and 6 deg angle of sideslip.

Ware, G. M.↗

The effects of particle size on the optical properties and surface roughness of a glass-balloon-filled black paint

The effects of particle size on the optical properties and surface roughness of a glass-balloon-filled, carbon-pigmented paint were studied in order to develop a diffuse-reflecting, low-total-reflectance, low-outgassing black paint. Particle sizes ranged between 20 microns and 74 microns. Surface roughness was found to increase with increasing particle size. Relative total reflectance at near-normal incidence (MgO standard) of the filled paints was less than for the unfilled paint between 230 nm and 1800 nm. Total absolute reflectance at 546 nm decreased with increasing particle size at grazing angles of incidence. Near-normal, total emittance was greater for the filled paints than for the unfilled paint. Specularity decreased with increasing particle size over the range studied.

Heslin, T.↗

A solution to the contact of two rough spherical surfaces

The influence of roughness on the interfacial pressure distribution in the contact of two spherical surfaces is considered. An approximate general solution is presented and it is shown that the pressure for all radii can be determined solely from a reference pressure which is, in turn, a function of two parameters - a dimensionless roughness and a dimensionless hardness. Values for the radius of contact are also presented.

Mikic, B. B.↗

A dual frequency radar for ocean roughness sampling

A microwave technique for determining the roughness (rms wave height) of a randomly varying air-water interface has been developed theoretically, verified with laboratory wavetank studies and is currently being implemented for ocean surface measurements in a series of applications flight experiments. These aircraft observations will be near the Chesapeake Light Tower and will include a range of altitudes and sea conditions. The measurement concept involves cross-correlating the envelope fluctuations on two received carriers that are monochromatic when transmitted in a normal direction to the interface and are observed in a backscatter direction after reflection by the large number of randomly distributed specular points on the surface. The measured correlation coefficient (normalized covariance) as a function of carrier frequency separation will depend on the surface roughness, specifically the probability density function of the specular point height. Details of the flight system are discussed, and preliminary flight results are presented.

Weissman, D. E.↗