Compositional effects on structural, electronic, elastic, piezoelectric and dielectric properties of GaInN alloys: a first-principles study.

We conduct a comprehensive theoretical analysis of wurtzite GaInN ternary alloys, focusing on their structural, electronic, elastic, piezoelectric, and dielectric properties through rigorous first-principles calculations. Our investigation systematically explores the influence of varying Ga composition ( = 0%, 25%, 50%, 75%, 100%) on the alloy properties. Remarkably, we observe a distinctive non-linear correlation between the band gap and Ga concentration, attributable to unique slopes in the absolute positions of the valence band maximum and conduction band minimum with respect to Ga concentration.

Large Vertical Piezoelectricity in a Janus CrIF Monolayer.

Two-dimensional (2D) materials have potential applications in nanoscale sensors and spintronic devices. Herein, motivated by experimental synthesis of a CrI3 monolayer possessing intrinsic magnetism and a Janus MoSSe monolayer with piezoelectricity, we propose a 2D Janus Cr2I3F3 monolayer as a multifunctional material exhibiting both piezoelectricity and ferromagnetism. Using density functional theory calculations, we systematically investigated the structural stability and the electronic, magnetic, and piezoelectric properties of the Janus Cr2I3F3 monolayer.

Applying finite-time lyapunov exponent to study the tidal dispersion on oil spill trajectory in Burrard Inlet.

This study used a combination of Finite-Time Lyapunov Exponent (FTLE) values, residual currents, and tidal excursion lengths to systematically investigate the effects of tidal dispersion on oil spill trajectories in Burrard Inlet, BC, Canada, which is a tidally dominated estuary. The FTLE analysis results showed that tidal type and tidal phase significantly influenced the FTLE fields because the flow structure and the location of saddle points varied as a function of the tidal type and tidal phase. Some transport barriers formed in the Inner Harbour, which blocked the water exchange between the western and eastern parts of the inlet.

DBWM: A diluted bitumen weathering model.

To help better assist the management of Diluted bitumen (DilBit) spills in marine environment, a model named as DilBit Weathering Model (DBWM) was developed in this study to simulate DilBits weathering in marine environment. The DBWM was developed based on specific algorithms for evaporation, dispersion, biodegradation, as well as density and viscosity changes for DilBit weathering and other widely used algorithms for conventional oil weathering in marine environment. To validate the model, a series of DilBit weathering simulation were conducted and compared with the experimental data.

PAX9 functions as a tumor suppressor gene for cervical cancer via modulating cell proliferation and apoptosis.

To investigate the effect of PAX9 on the progression of cervical cancer (CC). PAX9 expression was quantified in CC tissues and adjacent normal tissues, as well as human CC cell lines and human cervical epithelial cells (HCerEpiC). PAX9-overexpression lentiviral vectors were transfected into CC cell lines, followed by the measurement of proliferation and apoptosis and the quantification of apoptosis-related proteins.

Theoretical Investigation of Proton Diffusion in Dion-Jacobson Layered Perovskite RbBiNbO.

Perovskite materials are considered to be promising electrolyte membrane candidates for electrochemical applications owing to their excellent proton- or oxide-ion-conducting properties. RbBiNbO is a double-layered Dion-Jacobson perovskite oxide, with Pmc2 symmetry. In this study, the electronic structure and proton-diffusion properties of bulk RbBiNbO were systematically investigated using first-principles calculations.

Assessing the coastal sensitivity to oil spills from the perspective of ecosystem services: A case study for Canada's pacific coast.

Coastal environment is one of the most important ecological and socioeconomic areas. However, increasing energy demand and economic development lead to a continuous gas and oil exploration, production, and traffics, which notably raise the risk of oil spill accidents in coastal areas. Sensitivity assessment aiming to determine the coastal features that would be severely impaired by spill incidents is a crucial part of the response planning.

Mechanism of Single-Photon Upconversion Photoluminescence in All-Inorganic Perovskite Nanocrystals: The Role of Self-Trapped Excitons.

The efficient single-photon upconversion photoluminescence (UCPL) feature of lead halide perovskite semiconductors makes it promising for developing laser cooling devices. This is an attractive potential application, but the underlying physics still remains unclear so far. By using the all-inorganic CsPbX (X = Br, I) nanocrystal samples, this phenomenon was investigated by photoluminescence (PL) and time-resolved PL under different temperatures and various excitation conditions.

Reynolds number scaling to predict droplet size distribution in dispersed and undispersed subsurface oil releases.

This study was aimed at testing the applicability of modified Weber number scaling with Alaska North Slope (ANS) crude oil, and developing a Reynolds number scaling approach for oil droplet size prediction for high viscosity oils. Dispersant to oil ratio and empirical coefficients were also quantified. Finally, a two-step Rosin-Rammler scheme was introduced for the determination of droplet size distribution.

Enantioselective liquid-liquid extraction of zopiclone with mandelic acid ester derivatives.

Enantioselective liquid-liquid extraction of zopiclone was conducted by employing a series of (R)-mandelic acid esters as chiral extractants. The effects of concentration of extractant, concentration of zopiclone, type of organic solvent, pH value, and temperature on the extraction efficiency were investigated. (R)-o-chloromandelic acid propyl ester was demonstrated to be an efficient chiral extractant for zopiclone resolution with a maximum enantioselectivity of 1.

Application of entropy analysis of in situ droplet-size spectra in evaluation of oil chemical dispersion efficacy.

In situ droplet-size distributions were measured using a laser in situ scattering and transmissiometry (LISST-100X) particle size analyzer during the evaluation of natural and chemical dispersion efficiency of crude oils under different wave and current conditions. An entropy grouping of the in situ dispersed oil droplet-size spectra has classified the multi-modal droplet-size distributions into different groups based on similar droplet-size spectra characteristics within groups and distinction between groups. A generalized linear logistic regression model was fitted to analyze the effects of a number of factors and their interactions on the grouping of oil droplet-size spectra.