The Turbulent Pressure Spectrum Within the Roughness Sublayer of a Subarctic Forest Canopy
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54 ENVIRONMENTAL SCIENCES↗
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Effects of Microstructure and Surface Roughness on Initiation Behavior in Vapor-Deposited Explosives
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Stewart, James Allen↗
Molecular-level simulations of turbulent Couette flow over rough surfaces
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McMullen, Ryan Michael↗
Experimental and numerical investigation of fracture conductivity between non-smooth rock surfaces with and without proppant
The enhancement of fracture conductivity is vital for the efficient recovery of subsurface resources, such as geothermal energy and petroleum hydrocarbons. Proppants, granular materials injected into hydraulic fractures to maintain their conductivity, have been studied primarily in the context of smooth fractures (i.e., fractures between smooth rock surfaces). However, non-smooth fractures (i.e., fractures between rough rock surfaces) are common in geoenergy reservoirs and thus require further investigations. In this study, we conducted laboratory measurements of fracture conductivity on shale slabs with non-smooth surfaces and carried out numerical simulation using the lattice Boltzmann (LB) method, which aimed to investigate the conductivity of non-smooth fractures with and without proppants placement. When ceramic proppant with an areal concentration of 2 lb/ft 2 was placed in the fracture, the conductivity was enhanced by roughly 3-8 times compared to fractures without proppant. In fractures with proppant, gas-measured conductivity was higher than that measured with water due to proppant embedment caused by water. The experiments demonstrate the advantages of using proppant in fractures, even if the rock surface roughness can provide certain fracture conductivity via the self-propping mechanism. For fractures without proppants, high rock surface roughness is not necessarily favorable for enhancing fracture conductivity because the self-propping mechanism requires shear slip along the fracture surface. If there is no shear slip, high rock surface roughness can cause a detrimental effect on the fracture conductivity due to the interlocking effect. Utilizing advanced experimental equipment and LB modeling, this research explores the interplays between proppant placement, fracture geometry, and stress conditions to develop a comprehensive understanding of the productivity in non-smooth fractures. Further, the outcomes of this investigation indicate the importance of creating fractures with surface roughness during hydraulic fracturing and will contribute to the development of more efficient stimulation techniques for subsurface energy extraction.
15 GEOTHERMAL ENERGY↗
Simulation of Microcapsule Transport in Fractured Media Using Coupled CFD‐DEM
Geothermal energy is sustainable and gaining momentum as a solution to energy crises and environmental issues. However, challenges like production temperature and thermal breakthrough can impact geothermal project efficiency. One innovative solution to alleviate the thermal breakthrough is to inject polymer-based materials that are encapsulated in microcapsules into fractures to modify fracture permeability and prevent preferential flow. In our study, we utilized a coupled computational fluid dynamics and discrete element method to simulate the transport of microcapsules under various scenarios controlled by microcapsule size, microcapsule concentration, and fracture roughness. For a smooth fracture, the results indicate that small microcapsules can travel through a smooth fracture regardless of their concentrations. Large microcapsules can transport through a smooth fracture when present in lower concentrations. However, medium and mixed-size microcapsules tend to cause the sealing of a smooth fracture, irrespective of their concentrations. For a rough fracture, the transport of microcapsules is complicated by their interactions with the rough fracture walls. The presence of two sealing positions in a rough fracture adds further complexity to this transport phenomenon. The size and concentration of microcapsules control one sealing location, while the rough fracture walls determine the other sealing location. The rough walls substantially affect microcapsule transport, rendering the role of microcapsule size and concentration less significant. The simulation results suggest that complex fracture surfaces significantly elevate the occurrence of sealing behavior. To mitigate sealing behavior within more complex fractures, it would be beneficial to use smaller and lower concentrations of microcapsules.
15 GEOTHERMAL ENERGY↗
Exploring the effects of molecular beam epitaxy growth characteristics on the temperature performance of state-of-the-art terahertz quantum cascade lasers
This study conducts a comparative analysis, using non-equilibrium Green’s functions (NEGF), of two state-of-the-art two-well (TW) Terahertz Quantum Cascade Lasers (THz QCLs) supporting clean 3-level systems. The devices have nearly identical parameters and the NEGF calculations with an abrupt-interface roughness height of 0.12 nm predict a maximum operating temperature (T max ) of ~ 250 K for both devices. However, experimentally, one device reaches a T max of ~ 250 K and the other a T max of only ~ 134 K. Both devices were fabricated and measured under identical conditions in the same laboratory, with high quality processes as verified by reference devices. The main difference between the two devices is that they were grown in different MBE reactors. Our NEGF-based analysis considered all parameters related to MBE growth, including the maximum estimated variation in aluminum content, growth rate, doping density, background doping, and abrupt-interface roughness height. From our NEGF calculations it is evident that the sole parameter to which a drastic drop in T max could be attributed is the abrupt-interface roughness height. We can also learn from the simulations that both devices exhibit high-quality interfaces, with one having an abrupt-interface roughness height of approximately an atomic layer and the other approximately a monolayer. However, these small differences in interface sharpness are the cause of the large performance discrepancy. This underscores the sensitivity of device performance to interface roughness and emphasizes its strategic role in achieving higher operating temperatures for THz QCLs. We suggest Atom Probe Tomography (APT) as a path to analyze and measure the (graded)-interfaces roughness (IFR) parameters for THz QCLs, and subsequently as a design tool for higher performance THz QCLs, as was done for mid-IR QCLs. Our study not only addresses challenges faced by other groups in reproducing the record T max of ~ 250 K and ~ 261 K but also proposes a systematic pathway for further improving the temperature performance of THz QCLs beyond the state-of-the-art.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
Extending the capillary wave model to include the effect of bending rigidity: X-ray reflectivity and diffuse scattering
The surface roughness of a thin film at a liquid interface exhibits contributions of thermally excited fluctuations. This thermal roughness depends on temperature (𝑇), surface tension (𝛾), and elastic material properties, specifically the bending modulus (𝜅) of the film. A nonzero 𝜅 suppresses the thermal roughness at small length scales compared to an interface with zero 𝜅, as expressed by the power spectral density of the thermal roughness. The description of the x-ray scattering of the standard capillary wave model (CWM), which is valid for zero 𝜅, is extended to include the effect of 𝜅. The extended CWM (eCWM) provides a single analytical form for both the specular x-ray reflectivity (XRR) and the diffuse scattering around the specular reflection, and recovers the expression of the CWM at its zero 𝜅 limit. This theoretical approach enables the use of single-shot grazing incidence x-ray off-specular scattering (GIXOS) measurements for characterizing the structure of thin films on a liquid surface. The eCWM analysis approach decouples the thermal roughness factor from the surface scattering signal, providing direct access to the intrinsic surface-normal structure of the film and its bending modulus. Moreover, the eCWM facilitates the calculation of reflectivity at any desired resolution (pseudo-XRR approach). The transformation into pseudo-XRR provides the benefit of using widely available XRR software to perform GIXOS analysis. The extended range of the vertical scattering vector (𝑄 𝑧 ) available with the GIXOS pseudo-XRR approach allows for a higher spatial resolution than with conventional XRR. Experimental results are presented for various lipid systems, showing strong agreement between conventional specular XRR and pseudo-XRR methods. This agreement validates the proposed approach and highlights its utility for analyzing soft, thin films.
36 MATERIALS SCIENCE↗
Co‐Evolution of Specific Stiffness and Permeability of Rock Fractures Offset in Shear
Abstract Fractures and faults represent planes of weakness and compliance in rock masses that serve as focal points for both microearthquakes and fluid transport, with seismicity and permeability evolution closely linked. Contact stiffness is highly stress‐sensitive and directly influences permeability. We explore the co‐evolution of specific stiffness and permeability of rough fractures under normal stress and shear offset using numerical simulations. Individual rough fractures are represented by variable amplitude (Root mean square) and wavelength ( λ ) using a granular mechanics model. Contacting rough surfaces are mated, offset in shear, and then compacted in displacement mode. The compacting fractures generate stress‐dependent changes in contact porosity, which govern both permeability and stiffness evolution. We establish a universal dimensionless relationship linking specific stiffness and permeability that inherently incorporates the effects of surface roughness, shear offset, and microcracking. The observed cracking effect—where local stress redistribution and pressure‐driven microcrack propagation dynamically alter the aperture field—introduces a nonlinear permeability response at high stress. Increased roughness amplitude and larger shear offsets reduce stiffness while dampening permeability sensitivity to stress, demonstrating a strong interplay between surface texture and hydro‐mechanical behavior. While the model captures this behavior effectively, deviations emerge at very low porosities due to extreme aperture sensitivity in this limit.
He, Xinxin [Energy and Mineral Engineering Pennsyl↗
Performance improvement of proton exchange membrane water electrolysis by surface modification of porous transport layers
Proton exchange membrane water electrolysis (PEMWE) is a promising option for hydrogen production from a variety of energy sources. Cost-effective production of hydrogen with PEMWE requires reduction of costly precious metals as well as optimization of the components and interfaces in the cell. The interface between the platinum-coated titanium porous transport layer (PTL) and catalyst layer (CL) significantly impacts the performance of the electrolyzer cell. Here, we report on two PTL modification methods, mechanical abrasion and chemical etching, which we find improve PEMWE performance by lowering the resistance of the PTL/CL interface. The PTL surface modifications enabled performance improvements up to 77 mV at 4 A cm −2 and reduction of the high frequency resistance, demonstrating that the resistance of the PTL/CL interface is a significant factor in the cell performance. The PTL surface roughness was varied using abrasive materials ranging from 0.1 to 140 μm in grain sizes and chemical etching was found to also increase the surface roughness. The surface roughness was quantified using confocal laser microscopy and the surface oxidation was measured using X-ray photoemission spectroscopy. These results demonstrate that both increasing surface roughness and oxide removal contribute to lowering the PTL/CL interfacial resistance and increasing cell performance.
08 HYDROGEN↗
Surface smoothing for laser powder-bed Ti-6Al-4V by a transient liquid phase
Surface roughness is the primary driver of fatigue for additively manufactured metals. To address surface roughness, this work introduces a new method to smooth features beyond line-of-sight without material removal. The method applies a coating that triggers local surface remelting by activating a eutectic reaction during heat treatment. The associated liquid phase then wets and isothermally solidifies into a smoother surface. For Ti-6Al-4V fabricated with laser powder bed fusion, samples with and without TLP smoothing (using a Cu coating) were characterized with a suite of techniques, including mechanical testing, electron backscatter diffraction, synchrotron X-ray tomography, and fractography. TLP smoothing reduced surface roughness by 80% and amplified compressive residual stress at the surface by about 50%. With statistically equivalent virtual microstructures, crystal plasticity scrutinized the roles of phases, porosity, and surface roughness. Although the tensile strain-to-failure was reduced to 1% strain, the TLP smoothing process increased high-cycle fatigue strength by about 20% compared to control samples, pointing to future opportunities to optimize the new process through various coating compositions and heat treatment schedules. Overall, this work establishes a new paradigm for treating surfaces of materials for smoothness and compressive residual stress.
Additive manufacturing↗
Applying a Compact Porous Media Model to Numerically Derive Resistance Coefficients for Lattice Structures
Additive Manufacturing allows for exploring various geometries to achieve specific engineering criteria. Lattices are one geometry with unique properties, including being periodically repeating structures which allow flow through them to be represented as a porous media according to Darcy-Forchheimer equations. These equation’s coefficients are generally experimentally derived, but this work demonstrates the ability to numerically derive them with CFD. Simulations were performed using three-dimensional stead state Reynolds-averaged Navier-Stokes with a k-ω Shear Stress Transport turbulence model using Ansys Fluent. Three lattice geometries were investigated and drag coefficients were derived. The method was validated against externally published data for similar geometries demonstrating strong agreement, and grid convergence for all simulations was calculated with a Grid Convergence Index method. Wall roughness is demonstrated to have a non-negligible impact on results and roughness values are considered for the primary focus Octahedral geometry where both smooth wall and rough wall coefficients were derived. The porosity coefficients for the Octahedral geometry at 1.0 [m/s] were found to be 2.89×10 6 and 2.90×10 6 [1/(Pa*m*s)] for the permeability coefficients, 6.37×10 1 and 5.44×10 1 [m 2 /kg] for the inertial resistance coefficients, and with a max pressure drop of 5116.7 [Pa] and 4429.5 [Pa] for the smooth walls and rough walls, respectively. The derived numerical method enables rapid exploration and optimization of new lattice designs for diverse engineering applications.
42 ENGINEERING↗
Convective heat transfer enhancement through additively built multiscale micro-tetrahedron features
Use of Additive Manufacturing (AM) to improve the heat transfer characteristics of tip shrouds in high-pressure turbines is being considered by industries. Existing designs of these components integrate micro-cooling channels to reduce the bulk temperature for improved life. In this research, closely packed micro tetrahedron features in addition to AM roughness has been considered. Further, this multiscale surface characteristics increased surface area per unit volume available for heat exchange. Micro-tet features were designed, manufactured, characterized, and evaluated systematically while increasing their height. An enormous increase in the overall wetted surface area by 200 % was measured. The convective heat transfer enhancement was ~3.72 times EDM rough coupon, and friction factor enhancement was ~5.5 times EDM rough coupon. Furthermore, the proposed design offers 2.5 times enhanced heat transfer for a given 2 W pumping power compared to our EDM rough coupon. Heat transfer enhancement was observed to not vary strongly with increased Reynolds number. Such complex designs are only possible through additive manufacturing for increased heat transfer with little pressure penalty. Finally, increasing the micro-tet height for increased surface area and improved heat exchange beyond an upper limit might not be a significant benefit as it gets compensated by increasing skin friction.
42 ENGINEERING↗
Urban wash-off of tire wear particles
Tire wear particles (TWPs) are an important class of microplastics due to their toxicity and abundance. Because most TWPs are generated on impervious road surfaces, urban wash-off is the critical first phase of waterborne transport from their zone of production to stormwater drainage. However, little is known about the driving factors behind their mobilization. In this study, we use a rainfall simulator to investigate how surface roughness, rainfall intensity, and surface slope affect wash-off behaviors of TWPs. We also analyze how the size and shape of mobilized TWPs change over the course of simulated storm events. We found that low surface roughness, high rainfall intensity (most significant factor), and low slope result in the most rapid conveyance of TWP load. On average, large particles (>1000 µm) travelled faster than small particles (<125 µm). Particle shape explained a very small amount of variance in TWP wash-off velocity but was found to be more important under higher surface roughness conditions. In addition to wash-off velocity, we found similar conditions controlled the percent mobilization of TWPs. Low surface roughness and high rainfall intensity resulting in higher TWP wash-off rates is consistent with mineral sediment wash-off behavior. Conversely, low surface slope and large particle size leading to faster conveyance is directly opposed to mineral sediment wash-off. Our findings suggest drag-dominated flow and that sufficient runoff depth is the most important parameter governing TWP wash-off. These findings are important first steps to understanding wash-off behaviors of TWPs and informing future modeling efforts and mitigation strategies.
13 HYDRO ENERGY↗
A Colebrook equation for impinging radial wall jets
Here, in this study, we evaluate the skin coefficient of friction for steady turbulent radial wall jets across smooth and rough surfaces. Although the Colebrook equation has been used successfully for many decades to evaluate friction factors for flows through smooth and rough pipes, how roughness affects the skin friction coefficient for steady turbulent radial wall jets remains unclear. Here we explore a Colebrook-type equation for skin friction coefficients associated with single-phase turbulent radial wall jets arising from orthogonally impinging circular jets. The fully iterative solution, based on well-established concepts of turbulent wall-bounded flow, is presented along with a power-law approximation and a non-iterative approximation for the friction coefficient derived therefrom. We find the skin coefficient of friction defined on the peak radial velocity to be a function of position over rough but not smooth surfaces in contrast to pipe friction factors that remain independent of axial position. These results follow expected trends, explain prior heterogeneity in power-law expressions for the skin friction coefficient and have significant implications for the industrial use of jets in mixing vessels.
friction losses↗
Interplay of Quantum Size Effect and Tensile Strain on Surface Morphology of β-Sn(100) Islands
The quantum size effect (QSE) and strain effect are two key factors influencing the surface morphology of thin films, which can increase film surface roughness through QSE-induced thickness oscillation and strain-induced island formation, respectively. Surface roughness usually manifests in the early stages of film growth and diminishes beyond a critical thickness. In this work, we employ molecular beam epitaxy (MBE) to grow β-Sn(100) islands with varying thickness N on bilayer graphene-terminated 6H-SiC(0001) substrates. Scanning tunneling microscopy and spectroscopy measurements reveal an inverse surface roughness effect that highlights the interplay of QSE and misfit strain in shaping the surface morphology of β-Sn(100) islands. For N ≤ 10, the islands exhibit flat surfaces, while for N ≥ 26, the island surfaces become corrugated and patterned. For the intermediate range, i.e., 12 ≤ N ≤ 24, both flat and patterned surfaces coexist, with the percentage coverage of the patterned surface oscillating as a function of N. By performing density functional theory calculations, we demonstrate that the unusual surface pattern evolution in our MBE-grown β-Sn(100) islands is a result of the interplay between QSE-induced surface roughing and tensile strain-induced smoothening effect.
77 NANOSCIENCE AND NANOTECHNOLOGY↗
U.S. State Renewables Portfolio & Clean Electricity Standards: 2024 Status Update [Slides]
This report provides an overview and status update on U.S. state renewables portfolio standards (RPS) and has been expanded from previous editions to also cover 100% clean electricity standards (CES) adopted by a growing number of states. The report, published in slide-deck form along with accompanying data files, describes recent legislative revisions, key policy design features, compliance with interim targets, past and projected impacts on clean electricity development, and compliance costs. The 2023 edition presents historical data through year-end 2023 and projections out to 2050. Key trends from this edition of the report include the following: -Evolution of state RPS and CES programs: States continue to refine and revise their RPS policies, often by adopting higher targets and/or broader CES policies. Among the 29 states plus DC with an RPS, 16 have RPS targets of at least 50% of retail sales, and 4 states have a 100% RPS. An additional 16 states have adopted a broader 100% CES. -Historical impacts on renewables development: Almost half of all growth in U.S. renewable electricity (RE) generation and capacity since 2000 is nominally associated with state RPS requirements. That percentage has declined over time to 35% of all U.S. RE capacity additions in 2023, though in certain regions RPS policies continue to play a dominant role in driving RE growth. -Future RPS and CES demand and incremental needs: The combined demand for clean electricity from RPS and CES policies will grow from roughly 500 TWh today to 1700 TWh by 2050. Accounting for current supplies—including existing nuclear and hydroelectric generation eligible for CES targets—RPS and CES policies will require 900 TWh of new clean electricity by 2050, equivalent to roughly 3x the historical rate of RPS-buildout. -RPS target achievement to-date: States have generally met their interim RPS targets in recent years, with only a few exceptions reflecting unique, state-specific issues. Most CES targets are not yet in force, and so little compliance experience to-date. -REC pricing trends: Prices for NEPOOL Class I RECs remained at roughly $\$40$/MWh over the past year, just below ACP rates in the larger state markets, while PJM Tier I REC prices continued to rise, reaching $\$35$/MWh by year-end 2023 and surpassing ACP levels in some states. Prices for solar RECs remained relatively stable, and continue to exhibit wide variation across states, with the highest prices ($200-450/MWh) in NJ, MA, and DC. -RPS compliance costs: RPS compliance costs average roughly 4% of retail electricity bills across RPS states, though vary widely from state to state, with the highest costs (11-12% of retail bills) in states with solar carve-outs and high SREC prices.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
Environmental barrier coatings on SiC without a silicon bond coating: oxidation resistance, failure modes, and future improvements
Environmental barrier coatings (EBCs) are used to mitigate chemical reactions between SiC ceramic matrix composite (CMC) components and the H 2 O in combustion gas in turbine hot sections. CMCs are currently temperature-limited by the Si-bond coating, which melts at ~ 1414 °C. This work explores EBCs where the bond coating was removed to achieve higher operating temperatures. Various versions of enhanced roughness SiC were utilized to improve EBC adhesion to the substrates prior to 1 h furnace cycle testing in steam at 1250–1425 °C. The enhanced SiC roughness resulted in short coating lifetimes as the roughness was oxidized away with SiO 2 formation. Further, isothermal furnace exposures at 1400–1600 °C showed Yb 2 Si 2 O 7 /Yb 2 SiO 5 EBC microstructural changes, resulting in premature debonding from the substrates. Finally, this work provides baseline requirements for the development of both next-generation EBCs and bond coating strategies to overcome the current limitation of the Si-bond coating melting temperature.
36 MATERIALS SCIENCE↗
Rules for the crystallite size and dislocation density evolution in phases during α-ω transformation in Zr under high-pressure and severe plastic flow
The first in-situ X-ray diffraction (XRD) study of the evolution of the crystallite size and dislocation density in phases during plastic strain-induced phase transformation (PT) is performed utilizing α-ω PT in strongly pre-deformed commercially pure Zr as an important example. Rough diamond anvils (rough-DA) are introduced to intensify all occurring processes during heterogeneous compression of Zr in a diamond anvil cell (DAC). The main rule is found that during α-ω PT the crystallite size and dislocation density in ω-Zr depend solely on the volume fraction of ω-Zr and are independent of pressure, plastic strain tensor, its path, and initial nanostructure. Crystallite size in ω-Zr increases from 10 to 60 nm during the PT, while dislocation density reduces from 1.83×10 15 /m 2 to 0.6×10 15 /m 2 . Rough-DA produce a steady nanostructure in α-Zr before PT with smaller crystallite size and larger dislocation density than smooth-DA, leading to a reduction of the minimum pressure for α-ω PT to a record value 0.67 GPa, 9 times smaller than under hydrostatic loading and 5.1 times lower than the phase equilibrium pressure. In addition to strain, the kinetics of strain-induced PT unexpectedly depends on time. Also, strain-controlled part of kinetics is zero order, in contrast to the first-order kinetics with smooth-DA. The obtained results open a new window for understanding the mutual effects of nanostructure evolution and PT during severe plastic flow in various technological and natural processes. In conclusion, they may bring up economic strategies of producing nanocomposites and single-phase nanostructured materials with optimal properties.
Crystalline size↗