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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9

Design patterns of biological cells

Design patterns are generalized solutions to frequently recurring problems. They were initially developed by architects and computer scientists to create a higher level of abstraction for their designs. Here, we extend these concepts to cell biology to lend a new perspective on the evolved designs of cells' underlying reaction networks. We present a catalog of 21 design patterns divided into three categories: creational patterns describe processes that build the cell, structural patterns describe the layouts of reaction networks, and behavioral patterns describe reaction network function. Applying this pattern language to the E. coli central metabolic reaction network, the yeast pheromone response signaling network, and other examples lends new insights into these systems.

59 BASIC BIOLOGICAL SCIENCES↗

Sparse matrix‐vector and matrix‐multivector products for the truncated SVD on graphics processors

Summary Many practical algorithms for numerical rank computations implement an iterative procedure that involves repeated multiplications of a vector, or a collection of vectors, with both a sparse matrix and its transpose. Unfortunately, the realization of these sparse products on current high performance libraries often deliver much lower arithmetic throughput when the matrix involved in the product is transposed. In this work, we propose a hybrid sparse matrix layout, named CSRC, that combines the flexibility of some well‐known sparse formats to offer a number of appealing properties: (1) CSRC can be obtained at low cost from the popular CSR (compressed sparse row) format; (2) CSRC has similar storage requirements as CSR; and especially, (3) the implementation of the sparse product kernels delivers high performance for both the direct product and its transposed variant on modern graphics accelerators thanks to a significant reduction of atomic operations compared to a conventional implementation based on CSR. This solution thus renders considerably higher performance when integrated into an iterative algorithm for the truncated singular value decomposition (SVD), such as the randomized SVD or, as demonstrated in the experimental results, the block Golub–Kahan–Lanczos algorithm.

Aliaga, José I.↗

A moving morphable component‐based topology optimization approach considering transient structural dynamic responses

Abstract A novel approach is developed under the moving morphable component (MMC) framework to solve topology optimization problems considering transient structural dynamic responses, where the structure for optimization is constructed with a collection of structural components, and the structural layout can be described explicitly via only a small number of design variables characterizing the positions and geometries of the components. The transient dynamic response of the structure and corresponding sensitivities are computed via step‐by‐step numerical integration and mode reduction technique is also employed to enhance the computational efficiency. Compared with existing works, the numerical instabilities induced by localized vibration modes can be substantially alleviated and the computational effort for direct sensitivity analysis is significantly reduced in the proposed approach. Two and three‐dimensional numerical examples considering the cases of nonproportional damping mechanism and time‐varying mass are also provided to manifest the validity of the proposed approach.

Li, Jialin↗

Optimal interconnection of three-terminal tandem solar cells

Three-terminal (3T) tandem solar cells require an adapted module integration scheme in order to explore their full efficiency potential. The three terminals allow to extract the power of the top and bottom cell separately. In a cell string, the wide bandgap top cells are interconnected in parallel to multiple bottom cells resulting in a parallel/series interconnection. This interconnection scheme affects the operation of the subcells, the resulting current path between the subcells, the layout of the cell interconnects, and the system level. Here, we analyze by simulations and experiments the aspects of the module integration of series- and reverse-connected 3T cells with their practical impact on module processes and performance as well as the effect of varying voltage ratios on the string-end losses. If the subcells are connected in series, the module integration requires insulation layers and significantly longer interconnects compared to devices with reverse-connected subcells. Tandem devices with a reverse connection and a voltage ratio between top and bottom cell of 2:1 allow a lean interconnection design and low integration losses. Here, we present an approach for the integration of bypass diodes for the protection against shading effects that allow to minimize string-end and shading losses for a system of modules featuring 3T cells.

14 SOLAR ENERGY↗

Improving evapotranspiration computation with electrical resistivity tomography in a maize field

Abstract Hydrogeophysical methods have been increasingly used to study subsurface soil–water dynamics, yet their application beyond the soil compartment or the quantitative link to soil hydraulic properties remains limited. To examine how these methods can inform model‐based evapotranspiration (ET) calculation under varying soil water conditions, we conducted a pilot‐scale field study at an experimental maize plot with manipulated irrigation treatments. Our goal was to develop a workflow for (1) acquiring and inverting field electrical resistivity tomography (ERT) data, (2) correlating ERT to soil hydraulic properties, (3) spatially characterizing soil water stress that feeds into ET modeling (the FAO‐56 model), and (4) evaluating the performance of ERT‐based ET computation. Our results showed that ERT was able to capture decimeter‐scale soil water content (SWC) dynamics from root water uptake and irrigation manipulation and the contrast of soil water stress between deficiently and fully irrigated maize. We also demonstrated the flexibility of using ERT to spatially integrate soil water stress in the soil volume of interest, which could be adjusted based on different crops and plot layouts. The integration of the ERT datasets into ET modeling provided insights into the spatial heterogeneity of the subsurface that has been challenging for point‐based sensing, which can further our understanding of the hydraulic dynamics in the soil‐plant‐atmosphere continuum.

54 ENVIRONMENTAL SCIENCES↗

Squeeze Film Damper Experimental and Numerical Correlation: Test Setup Description and Parameter Identification of Dry System

The process of characterizing a damper involves both experimental techniques and model simulation. Experiments characterize dynamic behavior of a system through empirical modal analysis using impact and shaker testing. The layout of the test setup is crucial for a low-mass, nonlinear system. Physical arrangement, orientation of the system, and instrumentation affect the results that are discussed in this paper. These results can be used to validate a numerical simulation of the same system. With a validated model, important physical input parameters and modeling techniques can be determined and implemented in future designs. In other words, this modeling can be used with confidence to design alternative dampers that may be difficult, costly, and time-consuming to characterize experimentally.

Cook, Jason↗

Combined visualisation of cavitation and vortical structures in a real-size optical diesel injector

A high-speed flow visualisation set-up comprising of combined diffuse backlight illumination (DBI) and schlieren imaging has been developed to illustrate the highly transient, two-phase flow arising in a real-size optical fuel injector. The different illumination nature of the two techniques, diffuse and parallel light respectively, allows for the capturing of refractive-index gradients due to the presence of both interfaces and density gradients within the orifice. Hence, the onset of cavitation and secondary-flow motion within the sac and injector hole can be concurrently visualised. Experiments were conducted utilising a diesel injector fitted with a single-hole transparent tip (ECN spray D) at injection pressures of 700–900 bar and ambient pressures in the range of 1–20 bar. High-speed DBI images obtained at 100,000 fps revealed that the orifice, due to its tapered layout, is mildly cavitating with relatively constant cavity sheets arising mainly in regions of manufacturing imperfections. Nevertheless, schlieren images obtained at the same frame rate demonstrated that a multitude of vortices with short lifetimes arise at different scales in the sac and nozzle regions during the entire duration of the injection cycle but the vortices do not necessarily result in phase change. The magnitude and exact location of coherent vortical structures have a measurable influence on the dynamics of the spray emerging downstream the injector outlet, leading to distinct differences in the variation of its cone angle depending on the injection and ambient pressures examined.

42 ENGINEERING↗

Enriched immersed finite element and isogeometric analysis: algorithms and data structures

Immersed finite element methods provide a convenient analysis framework for problems involving geometrically complex domains, such as those found in topology optimization and microstructures for engineered materials. However, their implementation remains a major challenge due to, among other things, the need to apply nontrivial stabilization schemes and generate custom quadrature rules. This article introduces the robust and computationally efficient algorithms and data structures comprising an immersed finite element preprocessing framework. The input to the preprocessor consists of a background mesh and one or more geometries defined on its domain. The output is structured into groups of elements with custom quadrature rules formatted such that common finite element assembly routines may be used without or with only minimal modifications. The key to the preprocessing framework is the construction of material topology information, concurrently with the generation of a quadrature rule, which is then used to perform enrichment and generate stabilization rules. While the algorithmic framework applies to a wide range of immersed finite element methods using different types of meshes, integration, and stabilization schemes, the preprocessor is presented within the context of the extended isogeometric analysis. This method utilizes a structured B-spline mesh, a generalized Heaviside enrichment strategy considering the material layout within individual basis functions’ supports, and face-oriented ghost stabilization. Using a set of examples, the effectiveness of the enrichment and stabilization strategies is demonstrated alongside the preprocessor’s robustness in geometric edge cases. Additionally, the performance and parallel scalability of the implementation are evaluated.

Computer implementation↗

Optical leakage mitigation in ortho-mode transducer detectors for microwave applications

Ortho-mode transducers (OMT) are a commonly used method of coupling opti-cal signals between waveguides and on-chip circuitry and detectors. While the ideal OMT-waveguide coupling requires minimal disturbance to the waveguide, when used for mm-wave applications the waveguide is often slide though and the OMT probes inserted on a thin support membrane. This interface is a potential source of signal leakage and can lead to signal loss and experimental systematics (e.g. in CMB polarization experiments where lost signal can result in temperature to polarization leakage). Here we report on the development of new OMT- waveguide coupling structures with the goal of reducing leakage at the horn-to-detector-wafer interface. The pixel to pixel optical leakage due to the gap be-tween the coupling waveguide and the backshort is reduced by means of a protrusion that passes through the OMT membrane and connects the waveguide sections on each side of the wafer. High frequency electromagnetic simulations indicate that these protrusions can reduce optical leakage in the gap by ~80% percent, with a ~60% filling factor, respect to an ordinary OMT coupling without protrusion, using designs that are compatible with current fabrication processes. We describe the design of the new coupling structure including the impact of varying two key parameters: wafer to optical coupling gap and protrusion fill factor. Prototype devices have been designed that will characterize the performance of the new design using a relative measurement with varying filling factors. We describe the simulation setup and results, and present a chip layout and sample box designed to perform an initial measurement.

Detectors↗

Nationwide HVAC Energy-Saving Potential Quantification for Office Buildings with Occupant-Centric Controls in Various Climates

The occupant-centric control (OCC) is receiving an increasing attention due to its ability to reduce building heating ventilation and air-conditioning (HVAC) system energy consumptions while not affecting the occupant thermal comfort. This paper aims to investigate and quantify the nationwide energy-saving potential of implementing the occupant-centric HVAC controls in typical office buildings using a whole building simulation software EnergyPlus. First, the medium office and large office from the Department of Energy (DOE) Commercial Prototype Building Models (CBPM) were enhanced to have detailed layouts and dynamic occupancy schedules. Then, a comprehensive simulation plan was created by incorporating the multiple zone-level and system-level occupant-centric building HVAC controls recommended by the updated ASHRAE Standard 90.1 – 2019 and ASHRAE Guideline 36 – 2018. Three control scenarios with different occupancy sensing methods were identified in this simulation plan. A nation-wide parametric analysis which includes two building types, three occupancy sensing scenarios, two building code versions, and 16 U.S. climate zones was carried out. The simulation results of the key control variables and HVAC energy consumption suggest that generally, both the occupancy presence sensor and occupant counting sensor could achieve energy savings for the office buildings in majority of the scenarios. However, compared with the occupancy presence sensor, which could support both the temperature setpoint reset and operational breathing zone airflow rate reset for the unoccupied zones, the occupant counting sensor only brings a marginal benefit. Besides, a higher HVAC energy-saving ratio could be achieved in the heating-dominated zone, since the energy reduction brought with the minimum outdoor airflow rate reset is stronger in the heating mode.

Pang, Zhihong↗

Effects of land-based wind turbine upsizing on community sound levels and power and energy density

Multiple technological, social, and market factors of wind power are evolving rapidly. Most notably, significant wind turbine scaling is occurring and is forecasted to continue. While the larger turbines expected to be deployed in the future are more powerful and efficient, they are also expected to operate at higher sound levels and require larger setbacks than those installed in the last decade. These sometimes-competing deployment trends and impacts cannot be understood via simple extrapolations of past trends. This study analyzes the effect of these future larger turbines on wind turbine micro-siting, project-level power and energy density, and community noise impacts. Due to their taller heights, larger rotors, and higher sound power levels, future wind turbines will require larger setbacks from homes and greater inter-turbine spacing, resulting in fewer turbines deployed for a given land area. This research finds these changes more than offset the effect of the higher turbine sound emissions, significantly decreasing the average sound levels that wind plant hosting communities experience. Yet, simultaneously, plant layouts using future turbine designs also result in projects with higher installed capacities and annual energy output for a given land area. These increases will likely lead to increased tax benefits and local income in the community. The deployment of fewer turbines on a smaller number of parcels could have implications on siting flexibility and landowner payments.

17 WIND ENERGY↗

CoolPINNs: A physics-informed neural network modeling of active cooling in vascular systems

Emerging technologies like hypersonic aircraft, space exploration vehicles, and batteries avail fluid circulation in embedded microvasculatures for efficient thermal regulation. Modeling is vital during the design and operational phases of these engineered systems. However, many challenges exist in developing a modeling framework. What is lacking is an accurate framework that (i) captures sharp jumps in the thermal flux across complex vasculature layouts, (ii) deals with oblique derivatives (involving tangential and normal components), (iii) handles nonlinearity because of radiative heat transfer, (iv) provides a high-speed forecast for real-time monitoring, and (v) facilitates robust inverse modeling. Here, this paper addresses these challenges by availing the power of physics-informed neural networks (PINNs). We develop a fast, reliable, and accurate Scientific Machine Learning (SciML) framework for vascular-based thermal regulation—called CoolPINNs: a PINNs-based modeling framework for active cooling. The proposed mesh-less framework elegantly overcomes all the mentioned challenges. The significance of the reported research is multi-fold. First, the framework is valuable for real-time monitoring of thermal regulatory systems because of rapid forecasting. Second, researchers can address complex thermoregulation designs since the approach is meshless. Finally, the framework facilitates systematic parameter identification and inverse modeling studies, perhaps the most significant utility of the current framework.

97 MATHEMATICS AND COMPUTING↗

Triboelectric backgrounds to radio-based polar ultra-high energy neutrino (UHEN) experiments

Here, in the hopes of observing the highest-energy neutrinos (E EeV) populating the Universe, both past (RICE, AURA, ANITA) and current (RNO-G, ARIANNA, ARA and TAROGE-M) polar-sited experiments exploit the impulsive radio emission produced by neutrino interactions. In such experiments, rare single event candidates must be unambiguously identified above backgrounds. Background rejection strategies to date primarily target thermal noise fluctuations and also impulsive radio-frequency signals of anthropogenic origin. In this paper, we consider the possibility that ‘fake’ neutrino signals may also be generated naturally via the ‘triboelectric effect.’ This broadly describes any process in which force applied at a boundary layer results in displacement of surface charge, leading to the production of an electrostatic potential difference V. Wind blowing over granular surfaces such as snow can induce such a potential difference, with subsequent coronal discharge. Discharges over timescales as short as nanoseconds can then lead to radio-frequency emissions at characteristic MHz–GHz frequencies. Using data from various past (RICE, AURA, SATRA, ANITA) and current (RNO-G, ARIANNA and ARA) neutrino experiments, we find evidence for such backgrounds, which are generally characterized by: (a) a threshold wind velocity which likely depends on the experimental trigger criteria and layout; for the experiments considered herein, this value is typically $\mathscr{O}$(10 m/s), (b) frequency spectra generally shifted to the low-end of the frequency regime to which current radio experiments are typically sensitive (100–200 MHz), (c) for the strongest background signals, an apparent preference for discharges from above-surface structures, although the presence of more isotropic, lower amplitude triboelectric discharges cannot be excluded.

Background rejection↗

Code modernization strategies for short-range non-bonded molecular dynamics simulations

Modern HPC systems are increasingly relying on greater core counts and wider vector registers. Thus, applications need to be adapted to fully utilize these hardware capabilities. One class of applications that can benefit from this increase in parallelism are molecular dynamics simulations. In this paper, we describe our efforts at modernizing the ESPResSo++ simulation package for molecular dynamics by restructuring its particle data layout for efficient memory accesses and applying vectorization techniques to benefit the calculation of short-range non-bonded forces, which results in an overall three times speedup and serves as a baseline for further optimizations. We also implement fine-grained parallelism for multi-core CPUs through HPX, a C++ runtime system which uses lightweight threads and an asynchronous many-task approach to maximize concurrency. Our goal is to evaluate the performance of an HPX-based approach compared to the bulk-synchronous MPI-based implementation. This requires the introduction of an additional layer to the domain decomposition scheme that defines the task granularity. On spatially inhomogeneous systems, which impose a corresponding load-imbalance in traditional MPI-based approaches, we demonstrate that by choosing an optimal task size, the efficient work-stealing mechanisms of HPX can overcome the overhead of communication resulting in an overall 1.4 times speedup compared to the baseline MPI version.

97 MATHEMATICS AND COMPUTING↗

VAN-DAMME: GPU-accelerated and symmetry-assisted quantum optimal control of multi-qubit systems

We present an open-source software package, VAN-DAMME (Versatile Approaches to Numerically Design, Accelerate, and Manipulate Magnetic Excitations), for massively-parallelized quantum optimal control (QOC) calculations of multi-qubit systems. To enable large QOC calculations, the VAN-DAMME software package utilizes symmetry-based techniques with custom GPU-enhanced algorithms. This combined approach allows for the simultaneous computation of hundreds of matrix exponential propagators that efficiently leverage the intra-GPU parallelism found in high-performance GPUs. In addition, to maximize the computational efficiency of the VAN-DAMME code, we carried out several extensive tests on data layout, computational complexity, memory requirements, and performance. These extensive analyses allowed us to develop computationally efficient approaches for evaluating complex-valued matrix exponential propagators based on Padé approximants. To assess the computational performance of our GPU-accelerated VAN-DAMME code, we carried out QOC calculations of systems containing 10 - 15 qubits, which showed that our GPU implementation is 18.4× faster than the corresponding CPU implementation. Our GPU-accelerated enhancements allow efficient calculations of multi-qubit systems, which can be used for the efficient implementation of QOC applications across multiple domains.

97 MATHEMATICS AND COMPUTING↗

A multi-objective optimization model for cropland design considering profit, biodiversity, and ecosystem services

More sustainable agricultural methods are needed to alleviate the decreases in biodiversity and ecosystem services that have occurred because of industrial agriculture. One such method is the inclusion of alternative crops into croplands that can support biodiversity, reduce erosion and chemical runoff, and sequester carbon in the soil. However, the question of where such crops should be planted to balance competing economic and environmental objectives remains open. To this end, we develop a mixed-integer quadratically constrained program to optimize the layout of a cropland considering economic, biodiversity, greenhouse gas emissions, and water quality objectives. We include spatially varying fertilization as a decision variable in addition to crop establishment location. We further include the effect of core area and edges between different crops on biodiversity. To demonstrate the applicability of the model, we apply it to an example field, showing how the optimal cropland design changes as a decision-maker prioritizes different objectives and as edges have different impacts on biodiversity.

54 ENVIRONMENTAL SCIENCES↗

Flow visualisation in real-size optical injectors of conventional, additised, and renewable gasoline blends

Research on renewable and alternative fuels is crucial for improving the energy and environmental efficiency of modern gasoline internal combustion engines. To highlight the influence of fuel rheological and thermodynamic properties on phase change and atomisation processes, three types of gasoline blends were tested. More specifically, the campaign comprised a reference gasoline, an ethanol/gasoline blend (10% v/v) representative of renewable fuels, and an additised gasoline sample treated with viscoelasticity-inducing agents. High-speed imaging of the transient two-phase flow field arising in the internal geometry and the near-nozzle spray region of gasoline injectors was performed employing Diffuse Backlight Illumination. The metallic body of a commercial injector was modified to fit transparent tips realising two nozzle layouts, namely a two-hole real size model resembling the Engine Combustion Network spray G injector and an enraged replica with an offset hole. Experiments were conducted at realistic operating conditions comprising an injection pressure of 100 bar and ambient pressures in the range of 0.1–6.0 bar to cover the entire range of chamber pressures prevailing in Gasoline Direct Injection engines. The action of viscoelastic additives was verified to have a suppressive effect on in-nozzle cavitation (6% reduction in cavitation extent) , while also enhancing spray atomisation at flash-boing conditions, in a manner resembling the more volatile gasoline/ethanol blends. Finally, persisting liquid ligaments were found to form after the end of injection for the additised sample, owing to the surfactant nature of the additives.

30 DIRECT ENERGY CONVERSION↗

Disruption modelling for engineering and physics design of ST-E1 fusion power plant

Plasma disruptions represent a critical challenge for high-performance tokamak operations, as they can compromise machine integrity and reduce operational availability. Although future fusion devices essentially need to incorporate strategies to minimise disruption occurrence, complete avoidance remains unattainable. Consequently, assessing and characterising unmitigated disruption consequences is fundamental for the design and qualification of next-generation fusion power plants. This work supports the pre-conceptual design of ST-E1, a low aspect-ratio Tokamak Fusion Power Plant developed by Tokamak Energy Ltd., by presenting a comprehensive disruption modelling approach applied across different design stages. The methodology integrates both physics and engineering considerations to evaluate the impact of disruptions on machine performance and structural integrity. From an engineering perspective, several ST-E1 layout options were analysed to investigate the electromagnetic response of key components under disruption-induced loads, enabling comparison between alternative design solutions. On the physics side, a broad set of disruption scenarios was explored, scanning operational space parameters, plasma-material interactions, and associated thermal loads. Furthermore, the study examined variations in disruption behaviour arising from different reference equilibria, focusing on a range starting from Double Null to Single Null configurations, reflecting the increasing up-down asymmetry consequences. The results reveal significant contrasts in plasma dynamics and structures electromagnetic behaviour between configurations, highlighting the importance of disruption modelling in guiding design choices. These analyses have proven instrumental in shaping ST-E1 development, offering critical insights for mitigating risks and optimising future fusion power plant designs.

Borowiec, Katarzyna [ORNL] (ORCID:0000000335911739↗