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At least 1,711 records · Page 95

User manual for VICONOPT: An exact analysis and optimum design program covering the buckling and vibration of prismatic assemblies of flat in-plane loaded, anisotropic plates, with approximations for discrete supports, and transverse stiffeners

A computer program which is designed for efficient, accurate buckling and vibration analysis and optimum design of composite panels is described. The capabilities of the program are given along with detailed user instructions. It is written in FORTRAN 77 and is operational on VAX, IBM, and CDC computers and should be readily adapted to others. Several illustrations of the various aspects of the input are given along the example problems illustrating the use and application of the program.

Williams, F. W.↗

Development of Benchmark Examples for Quasi-Static Delamination Propagation and Fatigue Growth Predictions

The development of benchmark examples for quasi-static delamination propagation and cyclic delamination onset and growth prediction is presented and demonstrated for Abaqus/Standard. The example is based on a finite element model of a Double-Cantilever Beam specimen. The example is independent of the analysis software used and allows the assessment of the automated delamination propagation, onset and growth prediction capabilities in commercial finite element codes based on the virtual crack closure technique (VCCT). First, a quasi-static benchmark example was created for the specimen. Second, based on the static results, benchmark examples for cyclic delamination growth were created. Third, the load-displacement relationship from a propagation analysis and the benchmark results were compared, and good agreement could be achieved by selecting the appropriate input parameters. Fourth, starting from an initially straight front, the delamination was allowed to grow under cyclic loading. The number of cycles to delamination onset and the number of cycles during delamination growth for each growth increment were obtained from the automated analysis and compared to the benchmark examples. Again, good agreement between the results obtained from the growth analysis and the benchmark results could be achieved by selecting the appropriate input parameters. The benchmarking procedure proved valuable by highlighting the issues associated with choosing the input parameters of the particular implementation. Selecting the appropriate input parameters, however, was not straightforward and often required an iterative procedure. Overall the results are encouraging, but further assessment for mixed-mode delamination is required.

Krueger, Ronald↗

The Demand-Side Grid (dsgrid) Model Documentation

Electrical load is the backdrop for all power systems analysis. As a coequal partner in the supply-demand balance that must be maintained on electrical grids at all times and for all timescales, load is a major source of variability and uncertainty in grid operations. Despite this, utility load forecasting is typically done in a top-down manner that lacks the granularity in time, geography, end use, and technology that is needed to explore the potential impact of technological shifts; and many studies of future grid systems employ relatively simple scaling of historical loads, placing more emphasis on supply-side resources such as generation and transmission that are fewer in number and are better understood in terms of cost and performance. The primary purpose of the demand-side grid model (dsgrid) is to fill these gaps by creating comprehensive load data sets at a sufficient temporal, geographic, sectoral, and end-use resolution to enable detailed analyses of current patterns and future projections of end-use load. Furthermore, the dsgrid platform uses a bottom-up methodology that allows highly resolved analysis of 'what-if' scenarios. dsgrid leverages detailed sectoral energy models to provide hourly time series of load by subsector, end use, and county covering a full year. Although dsgrid currently emphasizes electricity load data, its component sector models for residential buildings, commercial buildings, and industry provide information on other fuel use, including natural gas. The data sets can thus be leveraged to support analysis of numerous demand-side technology-driven changes, such as energy efficiency, electrification, and operational flexibility (i.e., demand response). The electricity use data are time-synchronized with solar and wind data sets so as to be suitable for use in power systems analysis. This report documents dsgrid and its initial data set, which covers electricity demand in the contiguous United States for the historical year of 2012. We start with a historical year to enable model calibration and validation, as well as the development of a mathematical description of our model residuals that can be applied to future-year 'what-if' scenarios to remove known errors between our bottom-up modeling and historical load shapes. This work is part of the Electrification Futures Study (EFS), for which the dsgrid team will be developing future load snapshots that describe projected year 2050 under baseline and a range of electrification assumptions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Physicochemical properties of digital light processing 3D-Printed alumina and mullite ceramics

Alumina ceramics fabricated using conventional techniques such as uniaxial pressing or injection molding are popular due to their low density, excellent insulation, and mechanical properties. However, these methods often limit the fabrication of complex geometries with high dimensional accuracy due to tooling constraints and limited design freedom. To overcome these limitations, this study employed Digital Light Processing (DLP) additive manufacturing (AM), which enables the production of precise structures. In addition, the optimization of sintering parameters to enhance the densification and performance of alumina and mullite ceramics was investigated, with a specific focus on how varying sintering temperatures and hold times affect part shrinkage, geometric accuracy, and material integrity. Flexural strength of both alumina and mullite specimens was clearly influenced by the way the layers was stacked. When layers were arranged across the direction of the applied load (Z = 4; XZ), the strength was higher than when they were stacked along the same direction as the load (Z = 3; XY). Weibull analysis based on these results showed high modulus values across all samples, indicating good reliability in the flexural strength measurements. This reliability, combined with the clear influence of sintering parameters, highlights how processing conditions effect the material properties and mechanical performance of parts produced through DLP additive manufacturing. In conclusion, these findings open new avenues for ceramic AM across various applications, enhancing the potential for innovation in fields such as aerospace, biomedical engineering, and energy.

36 MATERIALS SCIENCE↗

Wind blade joints based on non-crimp 3D orthogonal woven Pi shaped preforms

Current industrial designs for joining composite windblade elements allow unstable crack propagation in the thick adhesive layer within the joint. In this work, a novel integral 3D woven Pi-joint element is developed and implemented in an I-beam joint construction that corresponds to a windblade shear web and spar cap. In a series of iterative design-analysis-fabrication-testing cycles, 2.9 m long I-beams that used the current practice joint and the novel proposed joint were designed, studied theoretically with the use of a 3D Mosaic analysis tool, then manufactured and loaded to failure in a cantilever flexure loading set up. Experimental data showed significant advantage in the load-bearing capacity of the joint structure with the use of novel Pi-joint element. Excellent agreement was observed between the theoretical predictions and experimental data.

17 WIND ENERGY↗

Titanium porous-transport layers for PEM water electrolysis prepared by tape casting

While the porous-transport layer (PTL) is a key component in PEM electrolyzers, it is one of the most underexplored due to limited available structures. In this work, we present a novel PTL design for PEM water electrolyzers enabled by a cost-effective, scalable tape-casting technique. Here, a precise control of the PTL pore structure is achieved by incorporating poreformers of various sizes, and by varying the titanium and poreformer ratio. The structures are characterized with SEM and synchrotron X-ray computed tomography imaging techniques. Comprehensive electrochemical performance analysis demonstrates that higher titanium loading provides improved contact at the catalyst-layer/PTL interface but suffers from severe mass-transport losses due to gas bubbles. We solve this mass-transport problem by mixing in large poreformer beads that produce a highly porous structure with excellent gas removal properties yet still maintaining mechanical integrity. The PTL fabricated with 60:40 Ti:PMMA ratio and 60 μm PMMA bead size outperformed the standard commercial Ti powder-based PTL by 62 mV at 4 A/cm 2 .

25 ENERGY STORAGE↗

Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8

Molecular dynamics simulations were used to investigate trends in noble gas (Ar, Kr, Xe) diffusion in the metal-organic frameworks HKUST-1 and ZIF-8. Diffusion occurs primarily through inter-cage jump events, with much greater diffusion of guest atoms in HKUST-1 compared to ZIF-8 due to the larger cage and window sizes in the former. We compare diffusion coefficients calculated for both rigid and flexible frameworks. For rigid framework simulations, in which the framework atoms were held at their crystallographic or geometry optimized coordinates, sometimes dramatic differences in guest diffusion were seen depending on the initial framework structure or the choice of framework force field parameters. When framework flexibility effects were included, argon and krypton diffusion increased significantly compared to rigid-framework simulations using general force field parameters. Additionally, for argon and krypton in ZIF-8, guest diffusion increased with loading, demonstrating that guest-guest interactions between cages enhance inter-cage diffusion. No inter-cage jump events were seen for xenon atoms in ZIF-8 regardless of force field or initial structure, and the loading dependence of xenon diffusion in HKUST-1 is different for rigid and flexible frameworks. Diffusion of krypton and xenon in HKUST-1 depends on two competing effects: the steric effect that decreases diffusion as loading increases, and the “small cage effect” that increases diffusion as loading increases. Finally, a detailed analysis of the window size in ZIF-8 reveals that the window increases beyond its normal size to permit passage of a (nominally) larger krypton atom.

36 MATERIALS SCIENCE↗

Heat transfer study on the beamline for an electron–ion collider at BNL

This study aims to calculate thermal loads that arise as a consequence of the beamline connecting the cold (2 K) region to the ambient. Heat loads are evaluated by numerical analysis and the findings are supported by analytical calculations. An active heat intercept is proposed to mitigate heat movement to the cold end. Owing to unfavorable length-to-depth ratio and large temperature differences, it is found that radiation becomes a dominant mode of heat transfer. The presence of bellows on the beamline complicates the thermal study which is heavily dependent on geometry. An analytical framework is set up to simplify the coupled conduction–radiation problem and is shown to decrease simulation times by an order of magnitude. The study finds that the total heat moving by conduction to the cold end is around 13 W and via radiation is 1.8 W. Furthermore, the active cooling circuit under present conditions has the ability to intercept between 8 - 12 W of heat.

43 PARTICLE ACCELERATORS↗

Knowledge-guided graph machine learning for spatially distributed prediction of daily discharge and nitrogen export dynamics

Spatially distributed prediction of streamflow and nitrogen export dynamics is essential for precision management of agricultural watersheds. While temporal deep learning models such as Long Short-Term Memory (LSTM) have shown strong performance at basin scales, their ability to generalize spatially is limited by insufficient representation of spatial dependencies and flow paths, particularly under data-scarce conditions. To address this gap, we propose HydroGraphNet, a knowledge-guided graph machine learning framework that integrates process-based knowledge and explicit spatial learning into temporal modeling. This framework incorporates directed graph topology to encode watershed connectivity and upstream inflows, with mass balance constraints to improve physical consistency. To enhance generalization in sparsely monitored regions, HydroGraphNet is pretrained on synthetic data generated by the SWAT+ (Soil and Water Assessment Tool Plus) model. We evaluated HydroGraphNet in the Upper Sangamon River Basin (44 HUC-12 subwatersheds, 2001–2020) against two LSTM baselines: a lumped basin-level model and a distributed variant. When benchmarked on SWAT+ simulations in pretraining, HydroGraphNet improved test NSEs by 8.9% (discharge) and 13.7% (NO₃–N load) in temporal extrapolation, and by 27.1% and 34.7% in spatial extrapolation, relative to the Lumped LSTM baseline. After fine-tuning with USGS monitoring data, the model achieved mean test NSE (KGE) scores of 0.768 (0.861) for discharge and 0.626 (0.664) for NO₃–N load, substantially outperforming baselines. Attribution analysis further highlighted the importance of upstream inflow representation and graph-based spatial learning in capturing cross-subwatershed dependencies. The model also reproduced seasonal hydrological and biogeochemical patterns consistent with known processes, demonstrating its robustness and process fidelity for spatially distributed prediction. Altogether, HydroGraphNet advances the integration of physical knowledge and spatially explicit learning in hydrological modeling, offering a generalizable framework for distributed modeling to support spatially targeted water quality management in data-scarce watersheds.

54 ENVIRONMENTAL SCIENCES↗

Acceleration of the particle-in-cell code Osiris with graphics processing units

Fully relativistic particle-in-cell (PIC) simulations are crucial for advancing our knowledge of plasma physics. Modern supercomputers based on graphics processing units (GPUs) offer the potential to perform PIC simulations of unprecedented scale, but require robust and feature-rich codes that can fully leverage their computational resources. In this work, this demand is addressed by adding GPU acceleration to the PIC code Osiris. An overview of the algorithm, which features a CUDA extension to the underlying Fortran architecture, is given. Detailed performance benchmarks for thermal plasmas are presented, which demonstrate excellent weak scaling on NERSC's Perlmutter supercomputer and high levels of absolute performance. The robustness of the code to model a variety of physical systems is demonstrated via simulations of Weibel filamentation and laser-wakefield acceleration run with dynamic load balancing. Finally, measurements and analysis of energy consumption are provided that indicate that the GPU algorithm is up to ~14 times faster and ~7 times more energy efficient than the optimized CPU algorithm on a node-to-node basis. The described development addresses the PIC simulation community's computational demands both by contributing a robust and performant GPU-accelerated PIC code and by providing insight into efficient use of GPU hardware.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Tailoring the Interfacial Interactions of Porous Polymer Membranes to Accelerate Atomic Layer Deposition: The Latent Path to Antifouling Membranes

Atomic layer deposition (ALD) is a powerful strategy to engineer hybrid organic-inorganic membranes with emergent functionalities. The combination of atomic-level thickness control, a wide materials palette, and unprecedented conformality allows the physiochemical properties (e.g., hydrophilicity) of mesoporous polymer membranes to be precisely tuned. The nucleation of ALD material growth on polymer surfaces relies on Lewis acid-base interactions and remains an overlooked motif with tremendous potential to accelerate ALD nucleation and growth. Strategies to enhance these interactions could enable desirable properties such as antifouling behavior to be imparted on inert polymer surfaces that lack the necessary functional groups for ALD nucleation. Here, in this study, we demonstrate that the reactivity of polyacrylonitrile (PAN) membranes toward ALD metal oxide (MO) precursors with Lewis acid characteristics is enhanced by introducing strong Lewis base functional groups (amidoxime: Am) on the PAN backbone (Am-PAN). The resulting Lewis acid-base interactions accelerate the MO nucleation in Am-PAN and reduce the number of deposition cycles required to achieve hydrophilicity compared with the untreated PAN membrane. Unveiling the reaction mechanism, in situ Fourier transform infrared (FTIR) spectroscopy measurements established enhanced interaction dynamics between the ALD MO precursors and the Am-PAN membrane, unlike the PAN membrane. Spectroscopic ellipsometry and thermogravimetric analysis measurements revealed higher MO loadings in Am-PAN membranes compared to PAN membranes for the same number of ALD cycles. We found that strong Lewis acid-base interactions accelerated the ALD for a range of materials including Al 2 O 3 , TiO 2 , SnO 2 , and ZnO. More broadly, our work demonstrates that tailoring metal-precursor-polymer interactions is a powerful strategy to accelerate and modulate the ALD. We used this design strategy to fabricate Al 2 O 3 -Am-PAN hybrid membranes that showed 2-fold higher antifouling capability compared to pristine PAN membranes prepared with an equivalent number of Al 2 O 3 ALD cycles. Our approach expands the scope of design options for fouling-resistant porous hybrid inorganic-organic membranes and may ultimately reduce the operational costs of water treatment.

36 MATERIALS SCIENCE↗

Chalcogenide Aerogels as Sorbents for Radioactive Iodine

Iodine ( 129 I and 131 I) is one of the radionuclides released in nuclear fuel reprocessing and poses a risk to public safety due to its involvement in human metabolic processes. In order to prevent the release of hazardous radioactive iodine into the environment, its effective capture and sequestration is pivotal. In the context of finding a suitable matrix for capturing radioactive iodine, several sulfidic chalcogels were explored as iodine sorbents including NiMoS 4 , CoMoS 4 , Sb 4 Sn 3 S 12 , Zn 2 Sn 2 S 6 , and K 0.16 CoS x (x = 4–5). All of the chalcogels showed high uptake, reaching up to 225 mass % (2.25 g/g) of the final mass owing to strong chemical and physical iodine–sulfide interactions. Analysis of the iodine-loaded specimens revealed that the iodine chemically reacted with Sb 4 Sn 3 S 12 , Zn 2 Sn 2 S 6 , and K 0.16 CoS x to form the metal complexes SbI 3 , SnI 4 , and, KI, respectively. In this study, the NiMoS 4 and CoMoS 4 chalcogels did not appear to undergo a chemical reaction with iodine since iodide complexes were not observed with these samples. Once heated, the iodine-loaded chalcogels released iodine in the temperature range of 75 to 220 °C, depending on the nature of iodine speciation. In the case of Sb 4 Sn 3 S 12 and Zn 2 Sn 2 S 6 , iodine release was observed around 150 °C mainly in the form of SnI 4 and SbI 3 , respectively. The NiMoS 4 , CoMoS 4 , and K 0.16 CoS x released elemental iodine at ~75 °C, which is consistent with physisorption. Preliminary investigations on consolidation of iodine-loaded Zn 2 Sn 2 S 6 chalcogel with Sb 2 S 3 as a glass forming additive produced glassy material whose iodine content was around 25 mass %.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improvement of a plasma uniformity of the 2nd ion source of KSTAR neutral beam injector

The 2nd ion source of KSTAR (Korea Superconducting Tokamak Advanced Research) NBI (Neutral Beam Injector) had been developed and operated since last year. A calorimetric analysis revealed that the heat load of the back plate of the ion source is relatively higher than that of the 1st ion source of KSTAR NBI. The spatial plasma uniformity of the ion source is not good. Therefore, we intended to identify factors affecting the uniformity of a plasma density and improve it. We estimated the effects of a direction of filament current and a magnetic field configuration of the plasma generator on the plasma uniformity. We also verified that the operation conditions of an ion source could change a uniformity of the plasma density of an ion source.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

On the calculation of internal forces in mechanically stressed polyatomic molecules

We discuss how to define and to compute internal forces in a molecule subjected to mechanical stress. Because of the inherently many-body character of intramolecular interactions, internal forces cannot be uniquely defined without specifying a set of internal coordinates used to describe the molecular structure. When such a set is comprised of 3N − 6 interactomic distances (N being the number of atoms) and includes the bond lengths of interest, we show that the associated forces, while satisfying the equation F = ∂V/∂R (where R is the bond length, F is the internal force in this bond, and V is the potential energy of the molecule), can be determined from the molecular geometry alone. We illustrate these ideas using several toy models ranging from small molecules to a graphene sheet and show that the magnitude of the internal force in a bond is not necessarily a good predictor of its strength in response to mechanical loading. At the same time, analysis of internal forces reveals interesting phenomena such as the force multiplication effect, where weak external forces may, e.g., be used to break strong bonds, and offers insight into the catch-bond phenomenon where chemical reactivity is suppressed through application of a force.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Cellulose nanofibrils (CNF) filled boron nitride (BN) nanocomposites

In this study, nanocomposite using cellulose nanofibrils filled with different percentage of boron nitride (CNF-BN) were prepared. The objective of this research is to study the effect of different percentage of BN to the thermal conductivity of the nanocomposite produced. The CNF-BN nanocomposite were characterization by FT-IR, SEM and thermal conductivity. The FT-IR analysis of the CNF-BN nanocomposite shows all the characteristic peaks of cellulose and BN present in all samples. The dispersion of BN in CNF were seen through SEM analysis. The effect of different loading percentage of BN to the thermal conductivity of the nanocomposite were also investigated.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Impact of deformation on the atomic structures and dynamics of a Cu-Zr metallic glass: A molecular dynamics study

Despite numerous studies on the atomic structures of Cu-Zr metallic glasses (MGs), their inherent structural ordering, e.g., medium-range order (MRO), remains difficult to describe. Specifically lacking is an understanding of how the MRO responds to deformation and the associated changes in atomic mobility. In this paper, we focus on the impact of deformation on MRO and associated effect on diffusion in a well-relaxed Cu 64.5 Zr 35.5 MG by molecular dynamics simulations. The Cu-Zr MG exhibits a larger elastic limit of 0.035 and a yield stress of 3.5 GPa. The cluster alignment method was employed to characterize the icosahedral short-range order (ISRO) and Bergman-type medium-range order (BMRO) in the models upon loading and unloading. From this analysis, we find the disruption of both ISRO and BMRO occurs as the strain reaches about 0.02, well below the elastic limit. Within the elastic limit, the total fractions of ISRO or BMRO can be fully recovered upon unloading. The diffusivity increases six to eight times in regions undergoing plastic deformation, which is due to the dramatic disruption of the ISRO and BMRO. As a result, by mapping the spatial distributions of the mobile atoms, we demonstrate the increase in atomic mobility is due to the extended regions of disrupted ISRO and more importantly BMRO.

36 MATERIALS SCIENCE↗

Data-Driven Digital Twin for Reliability Assessment of DC/DC Buck Converter

In commercial applications, the operation of DC/DC converters significantly impacts overall system performance and long-term reliability. This study introduces a data-driven digital twin (DT) approach for estimating critical degradation parameters of DC/DC BUCK converter under steady-state condition. Initially, a circuit-level MATLAB/Simulink digital model (DM C ) is refined against a hardware prototype’s switching model dataset using offline particle swarm optimization. The optimized digital model’s steady-state response is then verified with its average model response while varying the duty and load. Subsequently, degradation profiles are imposed on the inductor, capacitor, MOSFET in the DMC. A large dataset is generated from this model, allowing training, validation, and testing of machine learning (ML) models for component health regression tasks. The proposed method employs random forest ML models, achieving impressive regression results with a squared R value as high as 0.99978 and a root mean square error of 4.2× 10 –6 . The method is further validated on a medium power level DC/DC BUCK prototype with varying load conditions, and includes the analysis of MOSFET’s on-resistance under degradation conditions. This data-driven DT method shows promise for identifying parasitic degradation and ohmic loss parameters, enhancing converter reliability assessments in a non-invasive, generalized, and computationally efficient manner.

14 SOLAR ENERGY↗

Role of the Reference Bus in Three-Phase State Estimation

As more and more renewable energy sources are being connected to the power grid at lower voltage levels, closer monitoring of distribution networks is becoming a necessity. This is accomplished by state estimation and deployment of Distribution Management Systems (DMS). Distribution feeders are typically untransposed with unbalance loads. Thus, their modeling and analysis show significant differences compared to those for transmission networks. This paper focuses on the state estimation problem and its formulation for unbalanced distribution systems. Specifically, it is concerned about the modeling and solution of three-phase networks without a fully balanced bus to be selected as the angle reference. It is shown that best results will be obtained via the use of a virtual symmetrical bus. Validation of the proposed formulation is carried out by simulations.

Langner, A. L.↗