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Published in 2021 at "Advanced materials"
DOI: 10.1002/adma.202004831
Abstract: Organic materials find application in a range of areas, including optoelectronics, sensing, encapsulation, molecular separations, and photocatalysis. The discovery of materials is frustratingly slow however, particularly when contrasted to the vast chemical space of possibilities…
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Keywords:
organic materials;
experimental workflows;
workflows accelerated;
materials discovery ... See more keywords
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Published in 2022 at "Comprehensive Physiology"
DOI: 10.1002/cphy.c210012
Abstract: Genomics has grown exponentially over the last decade. Common variants are associated with physiological changes through statistical strategies such as Genome-Wide Association Studies (GWAS) and quantitative trail loci (QTL). Rare variants are associated with diseases…
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Keywords:
genetic variants;
experimental analysis;
computational experimental;
analysis ... See more keywords
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Published in 2019 at "Computational Mechanics"
DOI: 10.1007/s00466-018-1587-4
Abstract: A modified rigid-object formulation is developed, and employed as part of the fluid–object interaction modeling framework from Akkerman et al. (J Appl Mech 79(1):010905, 2012. https://doi.org/10.1115/1.4005072) to simulate free vibration and flutter of long-span bridges subjected…
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Keywords:
experimental investigation;
vibration;
vibration flutter;
free vibration ... See more keywords
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Published in 2019 at "Atomic Energy"
DOI: 10.1007/s10512-018-00461-6
Abstract: The basic results of computational and experimental studies of passive systems of emergency heat removal in application to ship and portable reactor facilities are presented. The methodological correlations for calculations of heat removal systems with…
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Keywords:
heat removal;
results computational;
computational experimental;
emergency heat ... See more keywords
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Published in 2018 at "Journal of the Brazilian Society of Mechanical Sciences and Engineering"
DOI: 10.1007/s40430-018-1248-8
Abstract: Fluidic thrust vectoring (FTV) control is an innovative technique employed to affect the pitch control of an air vehicle or an unmanned air vehicle in the absence of conventional control surfaces such as elevators. The…
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Keywords:
experimental investigation;
jet;
fluidic thrust;
computational experimental ... See more keywords
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Published in 2018 at "Composite Structures"
DOI: 10.1016/j.compstruct.2018.01.029
Abstract: Bistable reeled composite booms (BRCs) constructed from braided carbon/epoxy plies are suitable candidates for use as extendible booms or as elements of large deployable space structures. However, without modification, BRCs have an open section which…
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Keywords:
carbon;
carbon epoxy;
study;
computational experimental ... See more keywords
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Published in 2017 at "Energy Conversion and Management"
DOI: 10.1016/j.enconman.2017.07.009
Abstract: Computational and experimental studies were performed on solar chimney power plants (SCPP). The first part of the work was optimization of the geometry of the major components of an SCPP of 10 m height and…
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Keywords:
chimney;
power;
experimental studies;
computational experimental ... See more keywords
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Published in 2020 at "Journal of materials research and technology"
DOI: 10.1016/j.jmrt.2020.06.036
Abstract: Abstract In this study, refractory high entropy alloys (RHEAs) Mo20Nb20Re20Ta20W20, Mo15Nb20Re15Ta30W20, and Mo15Nb20Re10Ta35W20 were studied by applying the first-principles density functional theory (DFT) method. The DFT calculation was based on a large unit cell model…
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Keywords:
experimental investigation;
refractory high;
mo15nb20re15ta30w20;
high entropy ... See more keywords
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Published in 2017 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2017.06.041
Abstract: Abstract Thiazolidi-4-one is a significant pharmacophore and has been known to exhibit a diverse range of biological activities for a long time. A new compound (6), thiazolidi-4-one was synthesized and characterized by spectroscopic techniques and…
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Keywords:
cyclopropyl hybrid;
thiazolidinone cyclopropyl;
experimental studies;
compound ... See more keywords
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Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2020.128753
Abstract: Abstract Two heterofunctional azo reactive dyes (R1 & R2) containing both sulphatoethylsulphone and triazine as chromophoric group were computationally designed having improved dyeing and fastness properties. The designed dyes were synthesized via condensation and diazotization…
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Keywords:
reactive dyes;
azo reactive;
heterofunctional azo;
cellulosic fabric ... See more keywords
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Published in 2019 at "Separation and Purification Technology"
DOI: 10.1016/j.seppur.2019.04.071
Abstract: Abstract The effectiveness and mechanism of dimethyldithiocarbamate (DDTC) for recovering low-grade cobalt and nickel from the lixivium of a manganese-rich slag have been investigated via a computational and experimental study. First principles calculations using a…
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Keywords:
low grade;
experimental investigation;
computational experimental;
cobalt nickel ... See more keywords