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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 865 records · Page 48

The in-silico lab-on-a-chip: petascale and high-throughput simulations of microfluidics at cell resolution

We present simulations of blood and cancer cell separation in complex microfluidic channels with subcellular resolution, demonstrating unprecedented time to solution, performing at 65.5% of the available 39.4 PetaInstructions/s in the 18, 688 nodes of the Titan supercomputer. These simulations outperform by one to three orders of magnitude the current state of the art in terms of numbers of simulated cells and computational elements. The computational setup emulates the conditions and the geometric complexity of microfluidic experiments and our results reproduce the experimental findings. These simulations provide sub-micron resolution while accessing time scales relevant to engineering designs. We demonstrate an improvement of up to 45X over competing state-of-the-art solvers, thus establishing the frontiers of simulations by particle based methods. Our simulations redefine the role of computational science for the development of microfluidics –- a technology that is becoming as important to medicine as integrated circuits have been to computers.

Computer Science↗

Berkeley Lab WINDOW Calc Engine (CalcEngine) v2

Calculation of thermal and optical properties of glass, windows, and shades. Calculational code only, no GUI. The software hosted at this repository is one out of five repositories that make up this entire project. The others can be found at the following DOIs: 10.11578/dc.20190522.2, 10.11578/dc.20190522.4, 10.11578/dc.20190522.5, and 10.11578/dc.20190524.1.

Kohler, Christian↗

Berkeley Lab WINDOW Calc Engine (CalcEngine) v2

Calculation of thermal and optical properties of glass, windows, and shades. Calculational code only, no GUI. The software hosted at this repository is one out of five repositories that make up this entire project. The others can be found at the following DOIs: 10.11578/dc.20190522.1, 10.11578/dc.20190522.4, 10.11578/dc.20190522.5, and 10.11578/dc.20190524.1.

Kohler, Christian↗

Berkeley Lab WINDOW Calc Engine (CalcEngine) v2

Calculation of thermal and optical properties of glass, windows, and shades. Calculational code only, no GUI. The software hosted at this repository is one out of five repositories that make up this entire project. The others can be found at the following DOIs: 10.11578/dc.20190522.1, 10.11578/dc.20190522.2, 10.11578/dc.20190522.5, and 10.11578/dc.20190524.1.

Kohler, Christian↗

Berkeley Lab WINDOW Calc Engine (CalcEngine) v2

Calculation of thermal and optical properties of glass, windows, and shades. Calculational code only, no GUI. The software hosted at this repository is one out of five repositories that make up this entire project. The others can be found at the following DOIs: 10.11578/dc.20190522.1, 10.11578/dc.20190522.2, 10.11578/dc.20190522.4, and 10.11578/dc.20190524.1.

Mitchell, Robin↗

Berkeley Lab WINDOW Calc Engine (CalcEngine) v2

Calculation of thermal and optical properties of glass, windows, and shades. Calculational code only, no GUI. The software hosted at this repository is one out of five repositories that make up this entire project. The others can be found at the following DOIs: 10.11578/dc.20190522.1, 10.11578/dc.20190522.2, 10.11578/dc.20190522.4 and 10.11578/dc.20190522.5.

Mitchell, Robin↗

Berkeley Lab WINDOW

WINDOW features include: - Microsoft Windows TM interface - algorithms for the calculation of total fenestration product U-values and Solar Heat Gain Coefficient consistent with ASHRAE SPC 142, ISO 15099, and the National Fenestration Rating Council - a Condensation Resistance Index in accordance with the NFRC 500 Standard - and integrated database of properties - imports data from other LBNL window analysis software: - Import THERM file into the Frame Library - Import records from IGDB and OPtics5 into the Glass Library for the optical properties of coated and uncoated glazings, laminates, and applied films. Program Capabilities WINDOW 7.2 offers the following features: The ability to analyze products made from any combination of glazing layers, gas layers, frames, spacers, and dividers under any environmental conditions and at any tilt; The ability to model complex glazing systems such as venetian blinds and roller shades. Directly accessible libraries of window system components, (glazing systems, glazing layers, gas fills, frame and divider elements), and environmental conditions; The choice of working in English (IP), or Systeme International (SI) units; The ability to specify the dimensions and thermal properties of each frame element (header, sills, jamb, mullion) in a window; A multi-band (wavelength-by-wavelength) spectral model; A Glass Library which can access spectral data files for many common glazing materials from the Optics5database; A night-sky radiative model; A link with the DOE-2.1E and Energy Plus building energy analysis program. Performance Indices and Other Results For a user-defined fenestration system and user-defined environmental conditions, WINDOW calculates: The U-value, solar heat gain coefficient, shading coefficient, and visible transmittance for the complete window system; The U-value, solar heat gain coefficient, shading coefficient, and visible transmittance for the glazing system (center-of-glass values); The U-values of the frame and divider elements and corresponding edge-of-glass areas (based on generic correlations); The total solar and visible transmittance and reflectances of the glazing system. Color properties, i.e. L*, a*, and b* color coordinates, dominant wavelength, and purity for transmitted and reflected (outdoor) solar radiation; The damage-weighted transmittance of the glazing system between 0.3 an 0.38 microns; The angular dependence of the solar and visible transmittances, solar and visible reflectances, solar absorptance, and solar heat gain coefficient of the glazing system; The percent relative humidity of the inside and outside air for which condensation will occur on the interior and exterior glazing surfaces respectively; The center-of-glass temperature distribution.

Curcija, DraganCharlie↗

Noble-Lab/crema

Confidence Estimation for Mass Spectrometry Proteomics. Crema is an open-source Python tool that estimates the false discovery rate (FDR) of a set of peptide-spectrum matches that result from proteomics data analysis. Crema implements standard FDR estimation methods that are widely used within the field. This package is meant to be simple, easy to use, stand-along, and easy to maintain.

See, Donavan↗

Berkeley Lab Finite Element Framework (BELFEM) v0.1

The software program, referred to as BELFEM, is a specialized finite element code designed for the magnetodynamic modeling of high-temperature superconducting (HTS) tapes. It incorporates novel mixed finite element formulations, particularly the h-ϕ-formulation with thin-shell simplification, to efficiently simulate larger geometries. This methodology is extremely promising for predicting the electrodynamic performance of HTS tapes used in superconducting cables and magnets, offering the benefit of reduced computational cost. Compared to similar technologies like COMSOL Multiphysics and GetDP, BELFEM's performance benchmarking indicates superior efficiency in its thin-shell implementation. In the future, it will also support features like thermal coupling and inter-tape current sharing, enhancing its utility in research and development, particularly in nuclear fusion applications. The intent is to develop BELFEM as a robust and efficient tool for the HTS community, contributing to the analysis and design of superconducting cables and magnets.

Messe, Christian↗

Pfleger-Lab/Metabolic-Modeling---Yield-Analysis-of-PhaG

Microbial lipid metabolism is an attractive route for producing oleochemicals. The predominant strategy centers on heterologous thioesterases to synthesize desired chain-length fatty acids. To convert acids to oleochemicals (e.g., fatty alcohols, ketones), the narrowed fatty acid pool needs to be reactivated as coenzyme A thioesters at cost of one ATP per reactivation – an expense that could be saved if the acyl-chain was directly transferred from ACP- to CoA-thioester. Here, we demonstrate such an alternative acyl-transferase strategy by heterologous expression of PhaG, an enzyme first identified in Pseudomonads, that transfers 3-hydroxy acyl-chains between acyl-carrier protein and coenzyme A thioester forms for creating polyhydroxyalkanoate monomers. We use it to create a pool of acyl-CoA’s that can be redirected to oleochemical products. Through bioprospecting, mutagenesis, and metabolic engineering, we develop three strains of Escherichia coli capable of producing over 1 g/L of medium-chain free fatty acids, fatty alcohols, and methyl ketones.

Yan, Qiang↗

germs-lab/LAMPS-miscanthus-microbiome

Data and analysis to accompany our submitted paper characterizing the LAMPS Miscanthus Microbiome comparing 16S rRNA gene DNA sequencing of Miscanthus in a staggered-start experiment. Authors for this analysis include Fernando Igne Rocha, Lanying Ma, and Adina Howe.

Igne Rocha, Fernando↗

germs-lab/PAPER_miscanthus_soil_response

Nutrient inputs influence the sustainability of bioenergy crop production through contemporary (shortly after addition) and legacy effects (persisting over years) on microbial nitrogen (N) and carbon cycling, which contribute to greenhouse gas emissions. However, the relative importance of contemporary and legacy effects and how that could vary by crop functional types is poorly understood. Considering its rhizomatous roots and perennial growth, we hypothesized that Miscanthus × giganteus (M×g) would be more sensitive to legacy N fertilization and the historical context of its environment than an annual crop like maize. To test this hypothesis, we examined the effects of legacy and contemporary N inputs on nitrous oxide (N2O) and carbon dioxide (CO2) emissions, as well as key N cycling genes in soils where M×g and maize were grown. A 150-day soil incubation experiment was conducted using soils from a long-term M×g and maize fertility experiment with three historic N fertilization rates (0, 112, and 336 kg N ha−1 year−1) and a contemporary amendment (60 mg N kg−1) with negative control (0 mg N kg−1). We observed significant increases in cumulative N2O emissions in Mxg soils relative to maize soils, particularly at higher legacy fertilization rates, while contemporary N had no significant effect. Bacterial amoA gene abundance, which plays a significant role in nitrification in nutrient-rich soils, also increased with higher legacy fertilization rates in M×g soils but was unaffected by the contemporary N. In maize soils, legacy and contemporary N did not significantly affect N2O emissions, but cumulative CO2 emissions and amoA gene abundance significantly increased. The abundances of norB genes were not significantly influenced by either legacy fertilization or contemporary N amendments in either soil. Our findings demonstrate the greater importance of fertilization history over contemporary N in mediating soil N2O emissions, particularly for perennial bioenergy crops.

Lee, Jaejin↗

Lab to Farm: Applying Research on Plant Genetics and Genomics to Crop Improvement

Over the last 300 years, plant science research has provided important knowledge and technologies for advancing the sustainability of agriculture. In this Essay, I describe how basic research advances have been translated into crop improvement, explore some lessons learned, and discuss the potential for current and future contribution of plant genetic improvement technologies to continue to enhance food security and agricultural sustainability.

60 APPLIED LIFE SCIENCES↗