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At least 1,117 records · Page 62

An efficient liner cooling scheme for advanced small gas turbine combustors

A joint Army/NASA program was conducted to design, fabricate, and test an advanced, small gas turbine, reverse-flow combustor utilizing a compliant metal/ceramic (CMC) wall cooling concept. The objectives of this effort were to develop a design method (basic design data base and analysis) for the CMC cooling technique and then demonstrate its application to an advanced cycle, small, reverse-flow combustor with 3000 F burner outlet temperature. The CMC concept offers significant improvements in wall cooling effectiveness resulting in a large reduction in cooling air requirements. Therefore, more air is available for control of burner outlet temperature pattern in addition to the benefits of improved efficiency, reduced emissions, and lower smoke levels. The program was divided into four tasks. Task 1 defined component materials and localized design of the composite wall structure in conjunction with development of basic design models for the analysis of flow and heat transfer through the wall. Task 2 included implementation of the selected materials and validated design models during combustor preliminary design. Detail design of the selected combustor concept and its refinement with 3D aerothermal analysis were completed in Task 3. Task 4 covered detail drawings, process development and fabrication, and a series of burner rig tests. The purpose of this paper is to provide details of the investigation into the fundamental flow and heat transfer characteristics of the CMC wall structure as well as implementation of the fundamental analysis method for full-scale combustor design.

Paskin, Marc D.↗

Fundamental Phenomena on Fuel Decomposition and Boundary-Layer Combustion Precesses with Applications to Hybrid Rocket Motors: Experimental Investigation - Part 1

This final report summarizes the major findings on the subject of 'Fundamental Phenomena on Fuel Decomposition and Boundary-Layer Combustion Processes with Applications to Hybrid Rocket Motors', performed from 1 April 1994 to 30 June 1996. Both experimental results from Task 1 and theoretical/numerical results from Task 2 are reported here in two parts. Part 1 covers the experimental work performed and describes the test facility setup, data reduction techniques employed, and results of the test firings, including effects of operating conditions and fuel additives on solid fuel regression rate and thermal profiles of the condensed phase. Part 2 concerns the theoretical/numerical work. It covers physical modeling of the combustion processes including gas/surface coupling, and radiation effect on regression rate. The numerical solution of the flowfield structure and condensed phase regression behavior are presented. Experimental data from the test firings were used for numerical model validation.

Kuo, Kenneth K.↗

Analysis of Residential Time-of-Use Utility Rate Structures and Economic Implications for Thermal Energy Storage

Thermal energy storage (TES) is an increasingly popular tool to level out the daily electrical demand and add stability to the electrical grid as more intermittent renewable energy sources are installed. TES systems can locally decouple high thermal loads from the operation of a heat pump or reduce the electrical energy demand of the heat pump by providing a more favorable temperature gradient. In addition, many policy makers and utility providers have introduced time-of-use (TOU) rate schedules for residential customers to better reflect the price of electricity generation and demand for specific times. TOU rate schedules price grid-provided electricity differently throughout the day depending on the region’s climate, time of year, and electrical production. Large differences between on-peak and off-peak electrical prices may create an economic advantage for a residential customer to install a TES system. In this work, the economic and energy savings are calculated for a modeled 2,400 square foot residential building with water/ice-based TES using a TOU rate structure. The weather data is from Fresno County, CA, ASHRAE climate zone 3B, and a representative residential TOU utility rate structure from Pacific Gas and Electric (PG&E) was used. The results showed that total energy consumption could be reduced by 14.5% with an 87.5% reduction in on-peak energy usage when the TES is installed. The cost of operating this system for space cooling was reduced by nearly 20% using the sample utility rate plan.

Sultan, Sara↗

Advanced Technology Composite Fuselage: Program Overview

The Advanced Technology Composite Aircraft Structures (ATCAS) program has studied transport fuselage structure with a large potential reduction in the total direct operating costs for wide-body commercial transports. The baseline fuselage section was divided into four 'quadrants', crown, keel, and sides, gaining the manufacturing cost advantage possible with larger panels. Key processes found to have savings potential include (1) skins laminated by automatic fiber placement, (2) braided frames using resin transfer molding, and (3) panel bond technology that minimized mechanical fastening. The cost and weight of the baseline fuselage barrel was updated to complete Phase B of the program. An assessment of the former, which included labor, material, and tooling costs, was performed with the help of design cost models. Crown, keel, and side quadrant cost distributions illustrate the importance of panel design configuration, area, and other structural details. Composite sandwich panel designs were found to have the greatest cost savings potential for most quadrants. Key technical findings are summarized as an introduction to the other contractor reports documenting Phase A and B work completed in functional areas. The current program status in resolving critical technical issues is also highlighted.

Ilcewicz, L. B.↗

Compaction of crushed salt for safe containment – overview of the KOMPASS project

Abstract. In Germany, rock salt formations are possible host rock candidates for a repository for heat-emitting radioactive waste. The safety concept of a repository in salt bases on a multibarrier system consisting mainly of the geological barrier salt and geotechnical seals ensuring safe containment. Crushed salt will be used for backfilling of cavities and sealing measures in drifts and shafts due to its favourable properties and its easy availability (mined-off material). The creep of the rock salt leads to crushed salt compaction with time. Thereby, the crushed salts' porosity is reduced from the initial porosity of 30 %–40 % to a value comparable to the porosity of undisturbed rock salt (≤1 %). In such low porosity ranges, technical impermeability is assumed. The compaction behaviour of crushed salt is rather complex and involves several coupled THM processes (Kröhn et al., 2017; Hansen et al., 2014). It is influenced by internal properties like humidity and grain size distribution, as well as boundary conditions such as temperature, compaction rate or stress state. However, the current process understanding has some important gaps referring to the material behaviour, experimental database and numerical modelling. It needs to be extended and validated, especially in the low porosity range. The objective of the KOMPASS project was development of methods and strategies for the reduction of deficits in the prediction of crushed salt compaction leading to an improvement of the prognosis quality. Key results are as follows (KOMPASS Phase 1, 2020): selection of an easily available and permanently producible synthetic crushed salt mixture, acting as a reference material for generic investigations; development and proof of different techniques for producing pre-compacted samples for further investigations; establishment of a tool of microstructure investigation methods to demonstrate the comparability of grain structures of pre-compacted samples with in-situ compacted material for future investigations; execution of various laboratory experiments using pre-compacted samples, e.g. long-term creep tests which deliver reliable information about time- and stress-dependent compaction behaviour; development of a complex experimental investigation strategy to derive necessary model parameters considering individual functional dependencies. Its technical feasibility was successfully verified; benchmarking with various existing numerical models using datasets from three different triaxial long-term tests. The result was not entirely satisfactory; however, the number of influencing factors is small and further validation work has to be done. Overall, the KOMPASS project has made significant progress in the approaches to solving the outstanding question, building the basis for further investigations.

Friedenberg, Larissa↗

Acceleration of saddle-point searches with machine learning

In atomistic simulations, the location of the saddle point on the potential-energy surface (PES) gives important information on transitions between local minima, for example, via transition-state theory. However, the search for saddle points often involves hundreds or thousands of ab initio force calls, which are typically all done at full accuracy. This results in the vast majority of the computational effort being spent calculating the electronic structure of states not important to the researcher, and very little time performing the calculation of the saddle point state itself. In this work, we describe how machine learning (ML) can reduce the number of intermediate ab initio calculations needed to locate saddle points. Since machine-learning models can learn from, and thus mimic, atomistic simulations, the saddle-point search can be conducted rapidly in the machine-learning representation. The saddle-point prediction can then be verified by an ab initio calculation; if it is incorrect, this strategically has identified regions of the PES where the machine-learning representation has insufficient training data. When these training data are used to improve the machine-learning model, the estimates greatly improve. This approach can be systematized, and in two simple example problems we demonstrate a dramatic reduction in the number of ab initio force calls. We expect that this approach and future refinements will greatly accelerate searches for saddle points, as well as other searches on the potential energy surface, as machine-learning methods see greater adoption by the atomistics community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Computational modeling predicts the stability of both Pd + and Pd2 + ion-exchanged into H-CHA

Passive NO x adsorbers (PNA) using Pd/zeolites have emerged as a promising solution for the reduction of cold-start emissions from vehicle exhaust. However, the nature of the active sites and the mechanisms underlying NO x adsorption in Pd/zeolites remain a subject of ongoing investigation. In this study, we employ quantum chemical simulations to investigate the structure of Pd species in cation-exchange sites at isolated Al and Al pairs in the 6-ring and 8-ring of the CHA framework before the introduction of NO x . Our calculations show that the speciation of Pd in these exchange sites strongly depends on the precise Al arrangement within the framework, as well as the operating conditions. Ionically dispersed Pd is found to be the most favorable species over a wide range of oxidizing and reducing conditions. Small oligomers of PdO and metallic Pd do not appear to be competitive at either isolated Al or Al pairs. Notably, our calculations show that ion exchange sites other than next–next–nearest neighbor Al pairs in the 6-ring will be preferentially occupied by Pd + instead of Pd 2+ . The stability of Pd + in the zeolite environment is an interesting contrast with its rareness in molecular Pd compounds. Nonetheless, a detailed analysis of the electronic structure shows that predicted Pd oxidation states are consistent with chemical intuition for all complexes investigated in this study. We also discuss the potential ambiguity in Pd characterization provided by typical experimental techniques such as XANES, EXAFS and UV-Vis, and highlight the need for additional EPR spectroscopy studies to further elucidate the initial Pd speciation in zeolites for PNA applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electrochemical Recycling of CO2

Carbon dioxide (CO2) is a molecule that plays multiple roles in our universe. Currently, its impact on global warming has rightfully given CO2 a label as a harmful waste product that must be amply handled. Nonetheless, under other circumstances, and from other perspectives, CO2 could be regarded as a valuable resource. As example, in nature CO2 is an essential building block in photosynthesis ultimately yielding molecules and materials that we harvest for numerous applications ranging from energy storage and construction to medicines and food. In a similar manner, there is a growing interest to utilize atmospheric CO2 to generate renewable fuels and platform chemicals through artificial processes. These processes can replace fossil based industrial processes on earth alleviating climate impact, but they can also find uses far away from our planet. In space, CO2 is an important source of precious oxygen, however, it can also serve as feedstock for carbon-based molecules and materials that are needed to sustain societies at distant planets such as Mars. In this presentation, I will discuss the contemporary understanding of electrochemical reduction of CO2 for selective production of desired molecules. We will zoom in to the very atomic scale to gain mechanistic understanding of how the structure and composition of the cathode electrode affects product distributions. This information is used as guide in the design of new materials that convert CO2 more efficiently and more selectively. On this basis, opportunities for recycling CO2 under different conditions will be discussed, as will remaining challenges for the ultimate application towards the sustainable human living on earth and in space.

electrochemistry↗

A Structural Model for Binding of the Serine-Rich Repeat Adhesin GspB to Host Carbohydrate Receptors

GspB is a serine-rich repeat (SRR) adhesin of Streptococcus gordonii that mediates binding of this organism to human platelets via its interaction with sialyl-T antigen on the receptor GPIb{alpha}. This interaction appears to be a major virulence determinant in the pathogenesis of infective endocarditis. To address the mechanism by which GspB recognizes its carbohydrate ligand, we determined the high-resolution x-ray crystal structure of the GspB binding region (GspB{sub BR}), both alone and in complex with a disaccharide precursor to sialyl-T antigen. Analysis of the GspB{sub BR} structure revealed that it is comprised of three independently folded subdomains or modules: (1) an Ig-fold resembling a CnaA domain from prokaryotic pathogens; (2) a second Ig-fold resembling the binding region of mammalian Siglecs; (3) a subdomain of unique fold. The disaccharide was found to bind in a pocket within the Siglec subdomain, but at a site distinct from that observed in mammalian Siglecs. Confirming the biological relevance of this binding pocket, we produced three isogenic variants of S. gordonii, each containing a single point mutation of a residue lining this binding pocket. These variants have reduced binding to carbohydrates of GPIb{alpha}. Further examination of purified GspB{sub BR}-R484E showed reduced binding to sialyl-T antigen while S. gordonii harboring this mutation did not efficiently bind platelets and showed a significant reduction in virulence, as measured by an animal model of endocarditis. Analysis of other SRR proteins revealed that the predicted binding regions of these adhesins also had a modular organization, with those known to bind carbohydrate receptors having modules homologous to the Siglec and Unique subdomains of GspBBR. This suggests that the binding specificity of the SRR family of adhesins is determined by the type and organization of discrete modules within the binding domains, which may affect the tropism of organisms for different tissues.

59 BASIC BIOLOGICAL SCIENCES↗

A linked-scale coupled model of mass erosion and redistribution in plasma-exposed micro-foam surfaces

Surface evolution due to exposure to harsh environments is of importance in many scientific and technological applications. In plasma-exposed materials, the surface receives charged particles from the plasma, leading to a series of processes that drive the system far from equilibrium and may lead to the severe deterioration of the surface properties. Although surface morphological changes are driven by atomic collisions taking place over picoseconds and nanometers, these processes result in mass loss and redistribution of matter over much larger length and time scales. This necessitates a multi-scale approach capable of capturing the range of processes linking primary atomic collision events with engineering-level surface geometry changes. In this paper, we develop a computational model to simulate the morphological evolution and effective erosion rate of micro-architected tungsten foams during low-energy plasma ion bombardment. Furthermore, the model acts on several length scales, with the energy and angular dependence of the sputtering yield of flat tungsten surfaces determined using the SRIM code based on the binary collision approximation. This information is introduced into a low-fluence, short-term Monte Carlo raytracing model, and further into a high-fluence, long-term particle transport model. In the latter, material particles representing billions of atoms are described in a digitized 3-D representation of the foam structure from X-ray tomography data, and are sputtered off and redeposited using the atomistic information. We show that the redeposition of sputtered atoms leads to partial self-healing in the bottom layers with a sharp reduction in the sputtering coefficient of low density foams, roughly 25% of the solid W value. This is in qualitative agreement with recent experiments on low porosity W structures. At high fluence, the foam structure degrades considerably as there are fewer ligaments available to recapture sputtered atoms and, consequently, the sputtering rate increases again.

36 MATERIALS SCIENCE↗

Seismic response of vertical dry storage casks under three-dimensional earthquake motions

Ensuring the long-term seismic safety of dry storage casks (DSCs) is becoming increasingly critical as these systems evolve from temporary to de facto permanent repositories for spent nuclear fuels. Traditional seismic soil–structure interaction (SSI) assessment methods use one-dimensional deconvolution or simplified boundary conditions to model incident waves. Although computationally appealing, simplifying assumptions may alter the seismic risk by neglecting the full complexity of three-dimensional (3D) wave propagation effects. To address this challenge, this paper introduces a novel high-fidelity computational framework that leverages the Domain Reduction Method (DRM) with perfectly matched layers (PML) to accurately transfer complex, 3D seismic wavefields from regional-scale fault-rupture simulations into local-scale finite element models of DSCs. Using broadband, physics-based ground motions from a generic M w 7.0 strike-slip event, both single-cask and multi-cask configurations were investigated under near- and far-field conditions. Emphasis is placed on capturing complex SSI, spatial variability in the ground motion, and nonlinear phenomena such as cask rocking and sliding. Numerical results demonstrate that near-field conditions, where forward directivity and fling-step effects dominate, lead to significantly higher DSC rocking and sliding. Far-field cases, by contrast, generally exhibit modest responses. Incorporating SSI tends to amplify or alter DSC response spectra and introduce response variability, which underscores the need for site-specific evaluations and robust modeling approaches to ensure the seismic integrity of DSCs in interim spent fuel storage installations.

Das, Tonmoy↗

Intercalative Redox Tuning for Cu/Li x Mn 2 O 4 -Catalyzed Oxidative Alkyne Coupling

Modulation of heterogeneous catalyst structure is ubiquitous within efforts to improve catalytic activity and selectivity at the molecular level. Herein, manganese oxide (MnO 2 ) is employed as a continuously tunable catalyst support through increasing extent of lithium intercalation and reduced surface potential. Oxidative grafting of an organocopper complex onto various lithium manganese oxides (Li x Mn 2 O 4 , x = 0-2.1) produced divalent and monovalent copper species on the partially reduced (0 ≤ x ≤ 1.2) and fully reduced (x = 2.1) surfaces, respectively, as determined by X-ray absorption fine structure (XAFS) analysis. In this study, the resultant materials are catalytically active for the oxidative coupling of terminal alkynes, with steady-state reaction rate data of oxidative propyne dimerization (200 °C, 0.6-2.4 kPa propyne, 2.4-9.9 kPa O 2 ) indicating that complete support lithiation (Li 2.1 Mn 2 O 4 ) provides increased catalytic performance and renders reoxidation steps less kinetically demanding compared to the unreduced parent material. Enacting a dual site (Cu and MnO x ) kinetic model can account for dimerization rates measured over Cu/Li 2.1 Mn 2 O 4 under various reactant concentrations, copper loadings, and surface coverages, providing supporting evidence for the synergistic role of the metal and support in facilitating the coupling reaction. Overall, results presented here provide an extension for general strategies of systematically controlling catalytic structure and function through lithium reduction of bulk oxides and subsequent electronic modulation of the metals supported thereon.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

B2, B7 or B10: Which palm-based blend mandate wise to be chosen in Malaysia?

The diminishing fossil energy resources, coupled with heightened interest in the abatement of greenhouse gas emissions and concerns about energy security have motivated Malaysia to produce palm-based biodiesel and it has been started to be exported since 2006. In line with this issue, the government in Malaysia launched the palm-based biodiesel blending mandate of five percent (B5) in the federal administration of Putrajaya on 1{sup st} June 2011. This was then followed by four states: Malacca on July 11, Negeri Sembilan on August 1, Kuala Lumpur on September 1 and Selangor on October 1 of the same year but it is yet to be implemented nationwide. However what is the wise blend mandate to be chosen? Thus, this paper seeks to examine the possible impact of various blend mandates implementation (B2, B7 and B10) on the palm oil industry market variables (stock and price) since the main aim of biodiesel industry in Malaysia is to reduce domestic palm oil stock to below one million tones and provide a floor price to support Crude Palm Oil (CPO) prices at RM2,000 per tonne. A structural econometric model consisting of nine structural equations and three identities was proposed in this study. The model has been estimated by two stage least squares (2SLS) method using annual data for the period 1976-2013. The study indicates that counterfactual simulation of a decrease from B5 to B2 predicts a decrease (11.2 per cent) in CPO domestic consumption for biodiesel usage, 731.02 per cent reduction in CPO stock and an increase of 27.41 percent in domestic price of CPO. However the increase in the blend mandate from B5 to B7 and B10 suggest that domestic consumption of CPO for biodiesel purpose increase 7.40 and 18.55 percent respectively. The interesting findings in this study suggest that no matter whether Malaysian government increase or decrease the blend mandate the increase in the price of CPO are the same with an increase of is 27.41 percent. Hence, this study suggests that the lower blend mandate is the most favourable on.+-e compared to increasing it in this short period due to high production cost of CPO prices. However, future study on economic feasibility of palm-based biodiesel has to be conducted to support this study.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Efficient near-field ptychography reconstruction using the Hessian operator

X-ray ptychography is a powerful and robust coherent imaging method providing access to the complex object and probe (illumination). Ptychography reconstruction is typically performed using first-order methods due to their computational efficiency. Higher-order methods, while potentially more accurate, are often prohibitively expensive in terms of computation. In this study, we present a mathematical framework for reconstruction using second-order information derived from an efficient computation of the bilinear Hessian and Hessian operator. The formulation is provided for Gaussian-based models, enabling the simultaneous reconstruction of the object, probe, and object positions. Synthetic data tests, along with experimental near-field ptychography data processing, demonstrate a ten-fold reduction in computation time compared to first-order methods. The derived formulas for computing the Hessians, along with the strategies for incorporating them into optimization schemes, are well-structured and easily adaptable to various ptychography problem formulations.

Carlsson, Marcus [Lund Univ. (Sweden)] (ORCID:0000↗

Transformer Neural Networks with Spatiotemporal Attention for Predictive Control and Optimization of Industrial Processes

In the context of real-time optimization and model predictive control of industrial systems, machine learning, and neural networks represent cutting-edge tools that hold promise for enhancing dynamic modeling. This work presents a novel transformer neural network architecture for real-time optimization and model predictive control. This network design includes a modified attention mechanism inspired by positional embedding attention from vision transformers and task-specific modifications to the input-output structure of the transformer’s decoder stack. Experiments were conducted using data from a 450 MW coal-fired power plant to evaluate this approach's effectiveness. The transformer neural network was compared with conventional recurrent models, including GRU and LSTM. The transformer exhibited a 6% increase in the R-squared (R2) value of predictions and an 83% reduction in mean squared error (MSE). Computation time was also reduced by 84% compared to conventional recurrent models.

Gallup, Ethan R.↗

Synthesis of a modern/classical controller for large space structures

The paper is concerned with wide-sense stationary random vibrations of a representative large space structure subject to nonwhite excitations, and with synthesis of its controller amid modeling uncertainties due to truncated modes. Dynamics is analyzed by residue calculus in frequency domain. Steady state variance of a modal coordinate is shown to depend on, among other things, power spectral density of excitation at the modal frequency. Modal cost analysis is performed for an order reduction with a performance objective of attitude, attitude rate and energy control. Optimal and suboptimal output feedback controllers are compared. By treating deleted modes as an additive and a multiplicative perturbation in an idealized transfer function, the low frequency modes omitted according to modal cost analysis are found to cause instability. Finally, the size of the idealized model is shown to be governed by light damping and stringency in performance and stability specifications.

Hablani, H. B.↗

Direct glass bonded high specific power silicon solar cells for space applications

A lightweight, radiation hard, high performance, ultra-thin silicon solar cell is described that incorporates light trapping and a cover glass as an integral part of the device. The manufacturing feasibility of high specific power, radiation insensitive, thin silicon solar cells was demonstrated experimentally and with a model. Ultra-thin, light trapping structures were fabricated and the light trapping demonstrated experimentally. The design uses a micro-machined, grooved back surface to increase the optical path length by a factor of 20. This silicon solar cell will be highly tolerant to radiation because the base width is less than 25 microns making it insensitive to reduction in minority carrier lifetime. Since the silicon is bonded without silicone adhesives, this solar cell will also be insensitive to UV degradation. These solar cells are designed as a form, fit, and function replacement for existing state of the art silicon solar cells with the effect of simultaneously increasing specific power, power/area, and power supply life. Using a 3-mil thick cover glass and a 0.3 g/sq cm supporting Al honeycomb, a specific power for the solar cell plus cover glass and honeycomb of 80.2 W/Kg is projected. The development of this technology can result in a revolutionary improvement in high survivability silicon solar cell products for space with the potential to displace all existing solar cell technologies for single junction space applications.

Dinetta, L. C.↗

Nondestructive Structural Damage Detection in Flexible Space Structures Using Vibration Characterization

Spacecraft are susceptible to structural damage over their operating life from impact, environmental loads, and fatigue. Structural damage that is not detected and not corrected may potentially cause more damage and eventually catastrophic structural failure. NASA's current fleet of reusable spacecraft, namely the Space Shuttle, has been flown on several missions. In addition, configurations of future NASA space structures, e.g. Space Station Freedom, are larger and more complex than current structures, making them more susceptible to damage as well as being more difficult to inspect. Consequently, a reliable structural damage detection capability is essential to maintain the flight safety of these structures. Visual inspections alone can not locate impending material failure (fatigue cracks, yielding); it can only observe post-failure situations. An alternative approach is to develop an inspection and monitoring system based on vibration characterization that assesses the integrity of structural and mechanical components. A methodology for detecting structural damage is presented. This methodology is based on utilizing modal test data in conjunction with a correlated analytical model of the structure to: (1) identify the structural dynamic characteristics (resonant frequencies and mode shapes) from measurements of ambient motions and/or force excitation; (2) calculate modal residual force vectors to identify the location of structural damage; and (3) conduct a weighted sensitivity analysis in order to assess the extent of mass and stiffness variations, where structural damage is characterized by stiffness reductions. The approach is unique from other existing approaches in that varying system mass and stiffness, mass center locations, the perturbation of both the natural frequencies and mode shapes, and statistical confidence factors for structural parameters and experimental instrumentation are all accounted for directly.

Ricles, James M.↗