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At least 1,747 records · Page 97

Grid and basis adaptive polynomial chaos techniques for sensitivity and uncertainty analysis

The demand for accurate and computationally affordable sensitivity and uncertainty techniques is constantly on the rise and has become especially pressing in the nuclear field with the shift to Best Estimate Plus Uncertainty methodologies in the licensing of nuclear installations. Besides traditional, already well developed methods – such as first order perturbation theory or Monte Carlo sampling – Polynomial Chaos Expansion (PCE) has been given a growing emphasis in recent years due to its simple application and good performance. This paper presents new developments of the research done at TU Delft on such Polynomial Chaos (PC) techniques. Our work is focused on the Non-Intrusive Spectral Projection (NISP) approach and adaptive methods for building the PCE of responses of interest. Recent efforts resulted in a new adaptive sparse grid algorithm designed for estimating the PC coefficients. The algorithm is based on Gerstner's procedure for calculating multi-dimensional integrals but proves to be computationally significantly cheaper, while at the same it retains a similar accuracy as the original method. More importantly the issue of basis adaptivity has been investigated and two techniques have been implemented for constructing the sparse PCE of quantities of interest. Not using the traditional full PC basis set leads to further reduction in computational time since the high order grids necessary for accurately estimating the near zero expansion coefficients of polynomial basis vectors not needed in the PCE can be excluded from the calculation. Moreover the sparse PC representation of the response is easier to handle when used for sensitivity analysis or uncertainty propagation due to the smaller number of basis vectors. The developed grid and basis adaptive methods have been implemented in Matlab as the Fully Adaptive Non-Intrusive Spectral Projection (FANISP) algorithm and were tested on four analytical problems. These show consistent good performance both in terms of the accuracy of the resulting PC representation of quantities and the computational costs associated with constructing the sparse PCE. Basis adaptivity also seems to make the employment of PC techniques possible for problems with a higher number of input parameters (15–20), alleviating a well known limitation of the traditional approach. The prospect of larger scale applicability and the simplicity of implementation makes such adaptive PC algorithms particularly appealing for the sensitivity and uncertainty analysis of complex systems and legacy codes.

97 MATHEMATICS AND COMPUTING↗

Predictive performance modeling framework for a novel enclosed particle receiver configuration and application for thermochemical energy storage

Concentrating solar power (CSP) plants can provide dispatchable power with a thermal energy storage capability for increased renewable-energy grid penetration. Particle-based CSP systems permit higher temperatures, and thus, potentially higher solar-to-electric efficiency than state-of-the-art molten-salt heat-transfer systems. This paper describes a detailed numerical analysis framework for estimating the performance of a novel, geometrically complex, enclosed particle receiver design. The receiver configuration uses arrays of small tubular absorbers to collect and subsequently transfer solar energy to a flowing particulate medium. The enclosed nature of the receiver design renders it amenable to either an inert heat-transfer medium, or a reactive heat-transfer medium that requires a controllable ambient environment. The numerical analysis framework described in this study is demonstrated for the case of thermal reduction of CaCr 0.1 Mn 0.9 O 3-$\delta$ for thermochemical energy storage. The modeling strategy consists of Monte Carlo ray tracing for absorbed solar-energy distributions from a surround heliostat field, computational fluid dynamics modeling of small-scale local tubular arrays, surrogate response surfaces that approximately capture simulated tubular array performance, a quasi-two-dimensional reduced-order description of counter-flow reactive solids and purge gas, and a radiative exchange model applied to embedded-cavity structures at the size scale of the full receiver. In this work we apply the numerical analysis strategy to a single receiver configuration, but the framework can be generically applicable to alternative enclosed designs. In conclusion, we assess sensitivity of receiver performance to surface optical properties, heat-transfer coefficients, solids outlet temperature, and purge-gas feed rates, and discuss the significance of model assumptions and results for future receiver development.

14 SOLAR ENERGY↗

Numerical study of radiation effect on the municipal solid waste combustion characteristics inside an incinerator

Highlights: • A 3-D model for the MSW incinerator with preheated air was developed. • Gas radiative properties were obtained from a statistical narrow-band model. • Non-gray body radiation model can provide more accurate simulation results. - Abstract: Due to its advantages of high degree volume reduction, relatively stable residue, and energy reclamation, incineration becomes one of the best choices for Municipal Solid Waste (MSW) disposal. However, detailed measurements of temperature and gas species inside a furnace are difficulty by conventional experimental techniques. Therefore, numerical simulation of MSW incineration in the packed bed and gas flow field was applied. In this work, a three dimensional (3-D) model of incinerator system, including flow, heat transfer, detailed chemical mechanisms, and non-gray gas models, was developed. Radiation from the furnace wall and the flame formed above the bed is of importance for drying and igniting the waste. The preheated air with high temperature is used for the MSW combustion. Under the conditions of high temperature and high pressure, MSW combustion produces a variety of radiating gases. The wavelength-depend radiative properties of flame adopted in non-gray radiation model were obtained from a statistical narrow-band model. The influence of radiative heat transfer on temperature, flow field is researched by adiabatic model (without considering radiation), gray radiation model, and non-gray radiation model. The simulation results show that taking into account the non-gray radiation is essential.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Quantum-classical embedding via ghost Gutzwiller approximation for enhanced simulations of correlated electron systems

Simulating correlated materials on present-day quantum hardware remains challenging due to limited quantum resources. Quantum embedding methods offer a promising route by reducing computational complexity through the mapping of bulk systems onto effective impurity models, allowing more feasible simulations on pre- and early-fault-tolerant quantum devices. Here, this work develops a quantum-classical embedding framework based on the ghost Gutzwiller approximation to enable quantum-enhanced simulations of ground-state properties and spectral functions of correlated electron systems. Circuit complexity is analyzed using an adaptive variational quantum algorithm on a statevector simulator, applied to the infinite-dimensional Hubbard model with increasing ghost mode numbers from 3 to 5, resulting in circuit depths growing from 16 to 104. Noise effects are examined using a realistic error model, revealing significant impact on the spectral weight of the Hubbard bands. To mitigate these effects, the Iceberg quantum error detection code is employed, achieving up to 40% error reduction in simulations. Finally, the accuracy of the density matrix estimation and the derived spectral function is benchmarked on IBM and Quantinuum quantum hardware, featuring distinct qubit-connectivity and employing multiple levels of error mitigation techniques.

Chen, I-Chi [Ames Laboratory (AMES), Ames, IA (Uni↗

Thickness-dependent magnetic order in CrI 3 single crystals

Two-dimensional (2D) materials with intrinsic ferromagnetism offers unique opportunity to engineer new functionalities in nano-spintronics. One such material is CrI 3 , showing long-range magnetic order in monolayer with the Curie temperature (T c ) of 45 K. In this work, we study detailed evolution of magnetic transition and magnetic critical properties in response to systematic reduction in crystal thickness down to 50 nm. Bulk T c of 61 K is gradually suppressed to 57 K, however, the satellite transition at T*=45 K is observed layer-independent at fixed magnetic field of 1 kOe. The origin of T* is proposed to be a crossover from pinning to depinning of magnetic domain walls. The reduction of thickness facilitates a field-driven metamagnetic transition around 20 kOe with out-of-plane field, in contrast to the continuous changes with in-plane field. The critical analysis around Tc elucidates the mean-field type interactions in microscale-thick CrI 3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Convection in the tanks of a rotating spacecraft

A general study of convection and mixing of a stratified fluid in a rotating container is described, with application to the special problem of fluid heating and convection in a spacecraft tank. The analysis was based on a set of approximate equations for the Navier-Stokes description of fluid convection with small density variations in a rotating system, including effects of body forces due to temperature stratification (caused by a heater) and arbitrary time-dependent rotation of the tank about a noncentral axis. An efficient numerical finite difference scheme and computational method are described for the convection of vorticity and energy in a two-dimensional tank. Special procedures were developed for analysis of the thermodynamic states resulting from the approximate flow equations derived for small density variations. Results of the numerical simulation are presented for studying the effectiveness of rotation maneuvers in mixing stratified oxygen in the tanks of an Apollo spacecraft. Significant effects of the rotation maneuvers are discussed, including the reduction of the potential for pressure collapse.

Source record↗

Conceptual design study of concentrator enhanced solar arrays for space applications. 2kW Si and GaAs systems at 1 AU

The effect of concentration level on the specific power for a deployable, thin, gallium arsenide cell array in geosynchronous orbit for 10 years in conjunction with a two dimensional flat plate trough concentrator (V trough) and also with a multiple flat plate concentrator was investigated as well as the effects for a conventional silicon cell array on a rigid substrate. For application to a thin GaAs array at 1 AU for 10 years, the V trough produces a 19% benefit in specific power and a dramatic reduction in array area, while the multiple flat plate collector design is not only of no benefit, but is a considerable detriment. The benefit it achieves by reducing array area is duplicated by the 2D design. For the silicon array on a rigid substrate, improvement in performance due to a concentrator with ordinary mirror coating is quite small: 9% increase in specific power, and 13% reduction in array area. When the concentrator mirrors are coated with an improved cold mirror coating, somewhat more significant results are obtained: 31% specific power improvement; and 27% area reduction. In both cases, a 10 year exposure reduces BOL output by 23%.

Source record↗

Numerical simulation of advection fog formation on multi-disperse aerosols due to combustion-related pollutants

The effects of multi-disperse distribution of the aerosol population are presented. Single component and multi-component aerosol species on the condensation/nucleation processes which affect the reduction in visibility are described. The aerosol population with a high particle concentration provided more favorable conditions for the formation of a denser fog than the aerosol population with a greater particle size distribution when the value of the mass concentration of the aerosols was kept constant. The results were used as numerical predictions of fog formation. Two dimensional observations in horizontal and vertical coordinates, together with time-dependent measurements were needed as initial values for the following physical parameters: (1)wind profiles; (2) temperature profiles; (3) humidity profiles; (4) mass concentration of aerosol particles; (5) particle size distribution of aerosols; and (6) chemical composition of aerosols. Formation and dissipation of advection fog, thus, can be forecasted numerically by introducing initial values obtained from the observations.

Hung, R. J.↗

On current aspects of finite element computational fluid mechanics for turbulent flows

A set of nonlinear partial differential equations suitable for the description of a class of turbulent three-dimensional flow fields in select geometries is identified. On the basis of the concept of enforcing a penalty constraint to ensure accurate accounting of ordering effects, a finite element numerical solution algorithm is established for the equation set and the theoretical aspects of accuracy, convergence and stability are identified and quantized. Hypermatrix constructions are used to formulate the reduction of the computational aspects of the theory to practice. The robustness of the algorithm, and the computer program embodiment, have been verified for pertinent flow configurations.

Baker, A. J.↗

Two-Dimensional Sequential and Concurrent Finite Element Analysis of Unstiffened and Stiffened Aluminum and Composite Panels with Hole

The results of a detailed investigation of the distribution of stresses in aluminum and composite panels subjected to uniform end shortening are presented. The focus problem is a rectangular panel with two longitudinal stiffeners, and an inner stiffener discontinuous at a central hole in the panel. The influence of the stiffeners on the stresses is evaluated through a two-dimensional global finite element analysis in the absence or presence of the hole. Contrary to the physical feel, it is found that the maximum stresses from the glocal analysis for both stiffened aluminum and composite panels are greater than the corresponding stresses for the unstiffened panels. The inner discontinuous stiffener causes a greater increase in stresses than the reduction provided by the two outer stiffeners. A detailed layer-by-layer study of stresses around the hole is also presented for both unstiffened and stiffened composite panels. A parallel equation solver is used for the global system of equations since the computational time is far less than that using a sequential scheme. A parallel Choleski method with up to 16 processors is used on Flex/32 Multicomputer at NASA Langley Research Center. The parallel computing results are summarized and include the computational times, speedups, bandwidths, and their inter-relationships for the panel problems. It is found that the computational time for the Choleski method decreases with a decrease in bandwidth, and better speedups result as the bandwidth increases.

Razzaq, Zia↗

Three dimensional simulation of hydrogen chloride and hydrogen fluoride during the Airborne Arctic Stratospheric Expedition

Simulations of the evolution of stratospheric distributions of hydrogen chloride (HCl) and hydrogen fluoride (HF) have been carried out for the period of the Airborne Arctic Stratospheric Expedition (AASE) with a three-dimensional chemistry-transport model. Simulations were performed assuming only homogeneous gas phase chemistry for HF and both homogeneous gas phase and heterogeneous chemistry for HCl. Results show heterogeneous loss of HCl is needed to provide agreement with infrared column measurements. Estimates of the impact of heterogeneous loss on the global HCl distribution are obtained from the model. Reductions of HCl due to heterogeneous loss are calculated to be localized to regions of high vorticity, even after more than a month of integration.

Kaye, Jack A.↗

Low coefficient of thermal expansion polyimides containing metal ion additives

Polyimides have become widely used as high performance polymers as a result of their excellent thermal stability and toughness. However, lowering their coefficient of thermal expansion (CTE) would increase their usefulness for aerospace and electronic applications where dimensional stability is a requirement. The incorporation of metal ion-containing additives into polyimides, resulting in significantly lowered CTE's, has been studied. Various metal ion additives have been added to both polyamic acid resins and soluble polyimide solutions in the concentration range of 4-23 weight percent. The incorporation of these metal ions has resulted in reductions in the CTE's of the control polyimides of 12 percent to over 100 percent depending on the choice of additive and its concentration.

Stoakley, D. M.↗

Alternative route for electrochemical ammonia synthesis by reduction of nitrate on copper nanosheets

We propose an efficient and clean avenue for ammonia synthesis, via electroreduction of nitrate which could be obtained from industrial wastewater, domestic sewage, sodium nitrate ore, and nitrification of bacteria and electrochemical oxidation of nitrogen, which addresses the water pollution issues and simultaneously upgrades the nitrate to high-value ammonia. At a low overpotential of -0.15 V versus RHE, Cu nanosheets achieved an ammonia formation rate of 390.1 μg mg -1 Cu h -1 and a Faradaic efficiency of 99.7%, attributed to suppression of the HER activity and apparent improvement of the rate of rate-determining step on Cu (111). Such an ammonia formation rate is more than two orders of magnitude higher than electrochemical nitrogen reduction reaction to ammonia. This work not only develops a powerful strategy to the rational design of robust and efficient catalysts by crystal facet engineering, but also provides an alternative route for electrochemical ammonia synthesis by reduction of nitrate.

36 MATERIALS SCIENCE↗

Advancing Insights into Electrochemical Pre‐Treatments of Supported Nanoparticle Electrocatalysts by Combining a Design of Experiments Strategy with In Situ Characterization

Activation, break-in, and/or pre-treatment protocols are generally applied to energy conversion devices before regular operation to reach stable performance. There remains much to understand about the relationships among physical properties, performance, and electrochemical pre-treatments. Here, a design-of-experiments (DoE) strategy is employed to address this gap by demonstrating the influence of five pre-treatment parameters for carbon-supported Pt-nanoparticle catalysts on the electrocatalytic oxygen reduction reaction (ORR). A subset of pre-treatments, developed using a central composite design, are tested in a flow cell combined with an inductively-coupled plasma mass spectrometer (on-line ICP-MS). The DoE-based approach facilitates comprehensive insights from two orders of magnitude fewer experiments than a conventional grid search. The coupled on-line ICP-MS setup enables effective catalysis and real-time catalyst dissolution data. Leveraging insights from DoE for on-line ICP-MS and additional characterization, a model is built between the degradation of a multi-dimensional supported Pt surface, its performance, and applied electrochemical parameters. These investigations identify surface modifications, such as oxidation, and subsequent restructuring of Pt during pre-treatment as a primary cause of performance deterioration during ORR. By combining DoE with advanced characterization techniques, a powerful approach is demonstrated to gain a mechanistic understanding of pre-treatment protocols that can be broadly adapted to various reaction chemistries.

Platinum↗

Near-field radiative heat transfer between irregularly shaped dielectric particles modeled with the discrete system Green's function method

Near-field radiative heat transfer (NFRHT) between irregularly shaped dielectric particles made of SiO 2 and morphology characterized by Gaussian random spheres is studied. Particles are modeled using the discrete system Green's function (DSGF) approach, which is a volume integral numerical method based on fluctuational electrodynamics. This method is applicable to finite, three-dimensional objects, and all system interactions are defined independent of thermal excitation by a generalized system Green's function. The DSGF method is deemed suitable to model NFRHT between irregularly shaped particles after verification against the analytical solution for chains of two and three SiO 2 spheres. The NFRHT results reveal that geometric irregularity in particles leads to a reduction of the total conductance from that of comparable perfect spheres at vacuum separation distances smaller than the particle size, a regime in which NFRHT is a surface phenomenon. At vacuum separation distances larger than the particle size, NFRHT becomes a volumetric process, and the total conductance between irregularly shaped particles converges to that of comparable perfect spheres. Spectral analysis reveals, however, that particle irregularity leads to damping and broadening of resonances at all separation distances, thereby highlighting the importance of the DSGF method for spectral engineering in the near field. The reduced spectral coherence when particle size is larger than the vacuum separation distance is attributed to coupling of surface phonon-polaritons within the randomly generated, distorted particle features. For particle size smaller than the vacuum separation distance, resonance broadening and damping are linked with the multiple localized surface phonon modes supported by the composite spherical harmonic morphologies of the Gaussian random spheres. In conclusion, this paper has direct implications for thermal management of packed particle systems, with applications in radiative property control, electronics, energy conversion, and nanomanufacturing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Transplatformer: translating toxicogenomic profiles between generations of platforms

Background Transcriptomic profiling technologies have advanced the analysis of biological and toxicological responses. However, substantial differences in probe design, dynamic range, gene coverage, and preprocessing pipelines across platforms introduce artifacts that limit cross-study integration and hinder the reuse of historical datasets. We aim to develop computational methods for accurate cross-platform translation to maximize the value of legacy resources. Results We present TransPlatformer a deep learning framework for translating gene expression profiles across heterogeneous toxicogenomics platforms. TransPlatformer employs a novel attention-based architecture to map high-dimensional fold-change vectors from legacy microarray technologies to current platforms. Models are trained and evaluated using DrugMatrix, spanning three technological generations. We investigate mixed-tissue, single-tissue, and cross-tissue training paradigms and benchmark performance against multilayer perceptron and matrix-completion baselines. In mixed-tissue training, TransPlatformer achieves a greater than 50% reduction in mean absolute error (0.043 vs. 0.09) and nearly doubles Pearson correlation ( ≈ 0.71 vs. 0.37) relative to baseline methods. Importantly, TransPlatformer preserves rare but biologically meaningful over- and under-expressed signals, with mean absolute error below 0.22. Single-tissue models yield further improvements for well-represented organs, such as a 10% reduction in liver mean absolute error, while underscoring the need for data augmentation strategies in low-sample tissues.ra Conclusions TransPlatformer provides an effective and scalable computational solution for cross-platform transcriptomic translation. By enabling biologically faithful harmonization of gene expression data, the proposed approach facilitates the reuse of legacy toxicogenomics datasets, enhances downstream biomarker discovery, and supports more reproducible predictive modeling in toxicology.

59 BASIC BIOLOGICAL SCIENCES↗

Vortical flow management for improved configuration aerodynamics: Recent experiences

Recent progress in vortex-control applications for alleviating the adverse consequences of three dimensional separation and vortical interactions on slender body/swept wing configurations is reported. Examples include helical separation trip to alleviate the side force due to forebody vortex asymmetry; hinged strakes to avoid vortex breakdown effects; compartmentation of swept leading edge separation to delay the pitch-up instability; under wing vortex trip and vortex trip and vortex flaps for drag reduction at high lift; and an apex-flap trimmer to fully utilize the lift capability of trailing-edge flaps for take off and landing of delta wings. Experimental results on generic wind-tunnel models are presented to illustrate the vortex-management concepts involved and to indicate their potential for enhancing the subsonic aerodynamics of supersonic-cruise type vehicles.

Rao, D. M.↗

Optimization of aeroassisted orbital transfer - Current status

This paper presents the theory of optimal aeroassisted orbital transfer, with special consideration given to the transfer about a central body with an atmosphere, with propulsive maneuvers in space modeled as instantaneous changes in the velocity vector. It is shown that there are four potentially optimal transfer modes, two aeroassisted and two all-propulsive, for each point in the two-dimensional transfer space. Aeroassisted orbital transfer introduces a strong coupling between the trajectory design and the vehicle design; a trajectory that minimizes fuel mass without attention to heating may require the vehicle to have a heavy thermal protection system. It is emphasized that, if aeroassisted transfer is to be preferred to all-propulsive transfer, it must offer a reduction in fuel mass greater than the increase in thermal protection mass.

Mease, K. D.↗