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Thermodynamic and Kinetic Behavior of B and Na Through the Contact of B-Doped Silicon with Na2O-SiO2 Slags
(Peer reviewed; Journal article, 2013)Boron (B) is the most problematic impurity to be removed in the processes applied for the production of solar grade silicon. Boron removal from liquid silicon by sodium-silicate slags is experimentally studied and it is ... -
Thermoelectric effect in superlattices; applicability of coherent and incoherent transport models
(Peer reviewed; Journal article, 2018)Calculations of thermoelectric transport coefficients including quantum effects are performed on superlattices using the Buttiker approximation. The results are compared to the Boltzmann transport equation with minibands ... -
Thermoelectric transport trends in group 4 half-Heusler alloys
(Journal article; Peer reviewed, 2019)The thermoelectric properties of 54 different group 4 half-Heusler (HH) alloys have been studied from first principles. Electronic transport was studied with density functional theory using hybrid functionals facilitated ... -
Thermogravimetric Analysis of Thermal Insulating Materials Exposed to Sodium Vapor
(Journal article; Peer reviewed, 2019) -
Thermogravimetric Analysis – A Viable Method for Screening Novel Materials for the Sorbent Enhanced Water-gas Shift Process
(Peer reviewed; Journal article, 2017)Pre-combustion CO2 capture technologies are becoming viable alternatives to more conventional post-combustion capture by gas emissions scrubbing. The sorbent enhanced water-gas shift (SEWGS) process is a promising future ... -
Thermomechanical properties of zirconium tungstate/hydrogenated nitrile butadiene rubber (HNBR) composites for low-temperature applications
(Peer reviewed; Journal article, 2016)Rubber compounds for pressure sealing application typically have inferior dimensional stability with temperature fluctuations compared with their steel counterparts. This effect may result in seal leakage failures when ... -
Thermo‑Poromechanical Properties of Pierre II Shale
(Peer reviewed; Journal article, 2022)During the injection of carbon dioxide (CO2) for CO2 capture and storage (CCS) operations, the near-well (including casing, cement, and rock around it) can undergo several thermal loadings. These loadings can significantly ... -
Thickness dependent effects of solubility and surface phenomena on the hydrogen transport properties of sputtered Pd77%Ag23% thin film membranes
(Peer reviewed; Journal article, 2015)The hydrogen solubility and permeation in Pd77%Ag23% membranes have been determined as a function of temperature and membrane thickness. Unexpectedly, the solubility of hydrogen is found to systematically increase as the ... -
Thin films made by reactive sputtering of high entropy alloy FeCoNiCuGe: Optical, electrical and structural properties
(Peer reviewed; Journal article, 2022)Films were reactively sputtered from a high entropy alloy (HEA) FeCoNiCuGe target in an Ar/O2 plasma. The case of zero O2 gas flow yielded HEA films of FeCoNiCuGe. These as-deposited HEA films have a face centered cubic ... -
Through thickness variations of deformation texture in round profile extrusions of 6063-type aluminium alloy: Experiments, FEM and crystal plasticity modelling
(Journal article; Peer reviewed, 2018) -
Time-dependent closure of a borehole in a viscoplastic rock
(Peer reviewed; Journal article, 2019)The paper describes a model to predict and analyze the time-dependent closure of a borehole drilled in a soft rock subjected to an initial isotropic stress, and the build-up of stress on a rigid casing after contact with ... -
Toward a Unified Description of Battery Data
(Peer reviewed; Journal article, 2021)Battery research initiatives and giga-scale production generate an abundance of diverse data spanning myriad fields of science and engineering. Modern battery development is driven by the confluence of traditional domains ... -
Toward semantic standard and process ontology for Additive manufacturing
(Peer reviewed; Journal article, 2023)Advanced modelling of additive manufacturing often requires the combination of models at multiple scales and multi-physics. Therefore, building the modelling workflow describing the process is complicated. The modelling ... -
Toward the recovery of solar silicon from end-of-life PVs by vacuum refining
(Peer reviewed; Journal article, 2023)Considering the boom of Si solar cell installation, it is necessary to establish a process for recycling of Si from End-of-life photovoltaics (PVs). Silicon in the PVs is synthetically doped and coated by various elements ... -
Towards a coupled multi-scale, multi-physics simulation framework for aluminium electrolysis
(Peer reviewed; Journal article, 2017)Aluminium metal production through electrolytic reduction of alumina in a cryolite bath is a complex, multi-physics, multi-scale process, including magneto-hydrodynamics (MHD), bubble flow, thermal convection, melting and ... -
Towards high-throughput microstructure simulation in compositionally complex alloys via machine learning
(Peer reviewed; Journal article, 2021)The coupling of computational thermodynamics and kinetics has been the central research theme in Integrated Computational Material Engineering (ICME). Two major bottlenecks in implementing this coupling and performing ... -
Towards rigorous multiscale flow models of nanoparticle reactivity in chemical looping applications
(Journal article; Peer reviewed, 2019)A multiscale modeling framework is described and applied to the reactivity of iron oxide nanoparticles in a chemical looping reforming (CLR) reactor. At the atomic scale/nanoscale, we have performed kinetic Monte Carlo ... -
trans-Mutation at Gold(III): A mechanistic study of a catalytic acetylene functionalization via a double insertion pathway
(Peer reviewed; Journal article, 2017)The Au(III) complex Au(tpy)(OAcF)2 (OAcF = OCOCF3; tpy = 2-(p-tolyl)pyridine) catalyzes the anti addition of trifluoroacetic acid (HOAcF) to acetylene to furnish vinyl trifluoroacetate. The Au(III) vinyl complex ... -
Transcriptome analysis of thermophilic methylotrophic Bacillus methanolicus MGA3 using RNA-sequencing provides detailed insights into its previously uncharted transcriptional landscape
(Journal article; Peer reviewed, 2015)Background Bacillus methanolicus MGA3 is a thermophilic, facultative ribulose monophosphate (RuMP) cycle methylotroph. Together with its ability to produce high yields of amino acids, the relevance of this microorganism ... -
Transition-Metal Nanoparticle Catalysts Anchored on Carbon Supports via Short-Chain Alginate Linkers
(Peer reviewed; Journal article, 2021)This study reports a green, inexpensive, and highly versatile procedure to synthesize well-dispersed transition-metal nanoparticles anchored on carbon supports. The resulting metal loadings are 26 wt % or above. Achieving ...