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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 19 records

Computer-aided design. III.

Digital computer-aided circuit sensitivity analysis using symbols, with example of band pass filter analysis

DIGITAL COMPUTER↗

Software For Advanced Large-scale Analysis Of Magnetic Confinement For Numerical Design, Engineering & Research (salamander)

As magnetic confinement fusion energy gains traction internationally to enable abundant energy production, designing components for fusion systems is a pressing challenge. During the planned lifetime of a fusion device, components evolve in extreme environments and must withstand large, repeated thermal loads and bombardment by 14 MeV neutrons, plasma ions, and neutral particles (deuterium, tritium, and helium), corrosive conditions, etc. All these physical processes take place simultaneously, interact in intricate ways, and impose important constraints that can affect performance. Experimental data is rare and costly to obtain, making design particularly challenging. Predictive computational frameworks must be an integral part of an accelerated and cost-effective design process by modeling fusion system performance in simulated environments. To better understand component degradation and operational impacts on their performance, the Software for Advanced Large-scale Analysis of MAgnetic confinement for Numerical Design, Engineering & Research (SALAMANDER) is designed as an open-source, fully integrated, multiphysics, multiscale, NQA-1 compliant framework facilitating 3D, high-fidelity fusion system modeling. To that end, SALAMANDER is a MOOSE-based framework, and therefore leverages MOOSE upstream libraries such as PETSc and libMesh to deliver sophisticated finite element, finite volume, and nonlinear solver technology for fusion energy simulations. SALAMANDER couples MOOSE physics module capabilities—such as thermal hydraulics, heat conduction, Navier-Stokes, and thermomechanics—with tritium transport via TMAP8, neutronics via Cardinal, and nascent particle-in-cell capabilities. Direct simulation Monte Carlo methods will be used to address neutral transport near the walls. By coupling all these physics in an integrated application, SALAMANDER will enable high-fidelity modeling of irradiation levels and plasma exposure conditions of plasma facing components and their impact on heat and tritium distributions, as well as the resulting mechanical constraints experienced by the plasma facing components and performance of blanket systems. Furthermore, SALAMANDER will be particularly suited for engineering studies thanks to the stochastic tool module readily available in MOOSE, allowing for extended uncertainty quantification and risk analysis studies. It is also able to use computer-aided design (CAD) meshes to model complex geometries, which is indispensable for fusion systems. SALAMANDER therefore supports design, safety, engineering, and research projects for magnetic confinement fusion systems

Simon, Pierre-Clement [Idaho National Laboratory (↗

Demonstration of Vertical 2T-nC FeRAM Hybrid Cell and Its Scalability for High-Density 3-D Ferroelectric Capacitor Memory

In this work, we present a comprehensive experimental and modeling study on the scaling of vertical 2T-nC ferroelectric random access memory (FeRAM) hybrid cells, comprising n metal-ferroelectric–metal (MFM) capacitors, to demonstrate a high-performance and high-density 3-D capacitor memory. Our contributions include: 1) successful process integration of vertical 2T-3C FeRAM cells by stacking MFM structures on top of Si CMOS transistors; 2) experimental validation of memory cell functionality, confirming the feasibility of the vertical 2T-nC FeRAM architecture; 3) an analysis of scaling effects on parasitic capacitance in densely integrated 3-D arrays, using 3-D technology computer-aided design (TCAD) simulations; 4) exploration of aggressive stacking of write bitlines (WBLs) to enhance memory density, where ferroelectric linear capacitance ( C FE ) enables self-boosted inhibition under the V W /2 scheme, but renders the V W /3 scheme ineffective due to intolerable write disturbances; and 5) assessment of horizontal scaling, revealing significant increases in read disturbances caused by interplane capacitance between adjacent WBLs ( C Z ). This work represents an early exploration into the potential of 2T-nC FeRAM as a scalable and efficient 3-D memory solution.

42 ENGINEERING↗

Processing behavior evolution of recycled polypropylene: An integrated experimental and Computer-Aided engineering simulation study

Polypropylene (PP) comprises 21% of global plastics production and 18% of plastics waste, yet less than 1% of solid-waste PP is recycled in the United States (U.S.), representing significant environmental and economic challenges. Mechanical recycling, the most prevalent recycling method, subject's materials to thermomechanical stresses, which typically degrade polymer properties, affecting the quality of polymer products. This study replicates the impact of mechanical recycling through multiple extrusion cycles to examine the effects on PP's processing behavior. Dynamic scanning calorimetry (DSC) measurements showed stable melting behavior across all processing conditions, while crystallization analysis exhibited consistent shifts in kinetic parameters. Rheological characterization demonstrated progressive viscosity reductions through successive cycles, particularly pronounced at elevated reprocessing temperatures. Here, the integration of this experimental data into injection molding simulations showed that recycled PP maintains viable processing characteristics. Our findings establish quantitative correlations between processing history and material behavior, enabling optimization of processing parameters directly rather than relying on trial-and-error approaches. While these results reflect idealized recycling conditions with minimal contamination, they provide a framework for understanding fundamental property evolution during mechanical recycling.

42 ENGINEERING↗

Understanding Reliability Trade-Offs in 1T-nC and 2T-nC FeRAM Designs

Ferroelectric random access memory (FeRAM) is a promising candidate for energy-efficient nonvolatile memory, particularly for logic-in-memory and compute-in-memory (CIM) applications. Among the available cell architectures, One-Transistor–n-Capacitor (1T-nC) and two-transistor–n-capacitor (2T-nC) FeRAMs each offer distinct trade-offs in density, scalability, and reliability. In this work, we present a comparative study of these two architectures under both dimensional scaling ( XY/Z shrinkage) and vertical integration (increasing stacked capacitors per cell). Using technology computer-aided design (TCAD) and circuit-level simulations, we analyze how scaling impacts ferroelectric capacitance, parasitic coupling, and floating-node (FN) dynamics, which together dictate sense margin (SM) and read stability. A key mitigation strategy—floating unselected capacitors—is applied to both architectures, effectively decoupling the SM from the number of stacked capacitors and enabling tractable analysis across scaling regimes. Results show that 1T-nC suffers more from charge sharing with the bitline (BL), while 2T-nC benefits from transistor isolation and stronger low-voltage sensing at the cost of increased area. By systematically evaluating these behaviors across scaling directions, this work establishes the reliability trade-offs of 1T-nC and 2T-nC cells and provides design guidelines for high-density, vertically integrated FeRAM systems.

1T-nC↗

Computer-aided design of stability enhanced nicotinamide cofactor biomimetics for cell-free biocatalysis

Cell-free biocatalysis (CFB) is an efficient and environmentally friendly method to synthesize molecules such as pharmaceuticals, biochemicals, and biofuels through the in vitro use of enzyme cascades. These enzymes often require redox cofactors to drive chemical reactions. Natural redox cofactors (NAD(P)H) are expensive to isolate, motivating synthetic nicotinamide cofactor biomimetics (NCBs) as a cost-effective solution. A select handful of NCBs have been identified as potential NAD(P)H alternatives with comparable or improved redox capabilities, however, they display a tendency to degrade in common buffers. In this study, a library of 132 NCB candidates is systematically generated, over 85% of which have not been characterized in the literature, to expand the diversity of currently explored NCBs. The decomposition mechanism of NCBs in phosphate is evaluated using density functional theory (DFT), revealing protonation at the nicotinamide C5 position as a reporter of cofactor stability. Based on this result, we trained a linear regression model on DFT calculated descriptors to predict NCB stability in phosphate buffer, achieving mean absolute error (MAE) and root mean squared error (RMSE) values within computational accuracy. Analysis of key atomic descriptors and qualitative trends in our dataset informed the design of novel NCB candidates we propose with optimized stability. This work enables researchers to predict the relative stability of NCBs before synthesis, thereby streamlining the process to make CFB more affordable and viable at industry scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗