Integrating Computational and Experimental Workflows for Accelerated Organic Materials Discovery.
Sign Up to like & getrecommendations! 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… read more here.
Keywords: organic materials; experimental workflows; workflows accelerated; materials discovery ... See more keywords
Computational and Experimental Analysis of Genetic Variants.
Sign Up to like & getrecommendations! 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… read more here.
Keywords: genetic variants; experimental analysis; computational experimental; analysis ... See more keywords
Computational and experimental investigation of free vibration and flutter of bridge decks
Sign Up to like & getrecommendations! 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… read more here.
Keywords: experimental investigation; vibration; vibration flutter; free vibration ... See more keywords
Key Results of Computational and Experimental Studies of Passive Systems of Emergency Heat Removal
Sign Up to like & getrecommendations! 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… read more here.
Keywords: heat removal; results computational; computational experimental; emergency heat ... See more keywords
Computational and experimental investigation of fluidic thrust vectoring actuator
Sign Up to like & getrecommendations! 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… read more here.
Keywords: experimental investigation; jet; fluidic thrust; computational experimental ... See more keywords
Computational and experimental study on dynamic instability of extended bistable carbon/epoxy booms subjected to bending
Sign Up to like & getrecommendations! 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… read more here.
Keywords: carbon; carbon epoxy; study; computational experimental ... See more keywords
Computational and experimental studies on solar chimney power plants for power generation in Pacific Island countries
Sign Up to like & getrecommendations! 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… read more here.
Keywords: chimney; power; experimental studies; computational experimental ... See more keywords
Computational and experimental investigation of refractory high entropy alloy Mo15Nb20Re15Ta30W20
Sign Up to like & getrecommendations! 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… read more here.
Keywords: experimental investigation; refractory high; mo15nb20re15ta30w20; high entropy ... See more keywords
Computational and experimental studies of 4-thiazolidinone-cyclopropyl hybrid
Sign Up to like & getrecommendations! 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… read more here.
Keywords: cyclopropyl hybrid; thiazolidinone cyclopropyl; experimental studies; compound ... See more keywords
Computational and experimental study of heterofunctional azo reactive dyes synthesized for cellulosic fabric
Sign Up to like & getrecommendations! 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… read more here.
Keywords: reactive dyes; azo reactive; heterofunctional azo; cellulosic fabric ... See more keywords
Computational and experimental investigation of dimethyldithiocarbamate for effective recovery of cobalt and nickel from the leach liquor of high manganese slag
Sign Up to like & getrecommendations! 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… read more here.
Keywords: low grade; experimental investigation; computational experimental; cobalt nickel ... See more keywords