Analytic many-body potential for GaAs(001) homoepitaxy: Bulk and surface properties

We employ atomic-scale simulation methods to investigate bulk and surface properties of an analytic Tersoff- Abell type potential for describing interatomic interactions in GaAs. The potential is a modified form of that proposed by Albe and colleagues [Phys. Rev. B 66, 035205 (2002)] in which the cut-off parameters for the As-As interaction have been shortened.With this modification, many bulk properties predicted by the potential for solid GaAs are the same as those in the original potential, but properties of the GaAs(001) surface better match results from first-principles calculations with density-functional theory (DFT). We tested the ability of the potential to reproduce the phonon dispersion and heat capacity of bulk solid GaAs by comparing it to experiment and the overall agreement is good. In the modified potential, the GaAs(001) β2(2 × 4) reconstruction is favored under As-rich growth conditions in agreement with DFT calculations. Additionally, the binding energies and diffusion barriers for a Ga adatom on the β2(2 × 4) reconstruction generally match results from DFT calculations. These studies indicate that the potential is suitable for investigating aspects of GaAs(001) homoepitaxy

Increasing crop productivity while reducing greenhouse gas emissions through resource conservation technologies in rice-wheat-mungbean cropping system

Resource conserving technologies (RCTs) enhance input use efficiency and provide immediate identifiable economic benefits like reduced production costs, savings in water, fuel and labor requirements and timely establishment of crops resulting in improved productivity. They can also reduce GHG emissions with less global warming impact (Aggarwal et.al. 2002). The CO2 mitigation strategy for intensive rice-wheat-mungbean cropping systems has not been well studied. Crop residue management, tillage type and N fertilization strategies are likely factors to increase crop productivity and alter fuel consumption. The objective of this trial is to assess the potential productivity and reduction in GHG emissions by using RCT in rice-wheat system

Unleashing Enhanced Compressive Strength: 3D Printed Octopus-Inspired Suction Cups Using Topological Engineering

Nature’s intricate designs and efficient functionality have evolved over millions of years to thrive in challenging environments while minimizing energy consumption and ecological impact. Inspired by nature’s strategies, the manufacturing industry and academic research strive to develop materials and designs that exhibit high strength. The octopus, a remarkable marine creature, exemplifies a complex and adaptive design. It has eight arms aligned with numerous tactile suction cups having a specialized geometry and cavity. This study employed fused deposition modeling (FDM) printers to model and fabricate octopus-inspired suction cups. We examined different aspect ratios and shapes of cavities, such as cuboids, cylinders, and octopus suction cup cavities, while maintaining similar outer geometry. The compressive test proved that the inside cavity plays a significant role in enhancing strength due to stress distribution and is represented as a robust biomimetic design. The finite element analysis (FEA) is also developed to corroborate the experimental findings. The statistical validation of the experimental results is achieved through a multilinear regression equation. Our findings demonstrate that the naturally evolved octopus structure exhibits superior compressive strength, enhanced energy absorption, and the ability to generate negative pressure, rendering it highly suitable for gripping, suction, and shock-absorption applications

Developmental toxicity study of sodium molybdate dihydrate administered in the diet to Sprague Dawley rats

AbstractMolybdenum is an essential nutrient for humans and animals and is a constituent of several important oxidase enzymes. It is normally absorbed from the diet and to a lesser extent from drinking water and the typical human intake is around 2μg/kg bodyweight per day. No developmental toxicity studies to contemporary standards have been published and regulatory decisions have been based primarily on older studies where the nature of the test material, or the actual dose levels consumed is uncertain.In the current study the developmental toxicity of sodium molybdate dihydrate as a representative of a broad class of soluble molybdenum(VI) compounds, was given in the diet to Sprague Dawley rats in accordance with OECD Test Guideline 414. Dose levels of 0, 3, 10, 20 and 40mgMo/kgbw/day were administered from GD6 to GD20. No adverse effects were observed at any dose level on the dams, or on embryofetal survival, fetal bodyweight, or development, with no increase in malformations or variations. Significant increases in serum and tissue copper levels were observed but no toxicity related to these was observed. The NOAEL observed in this study was 40mgMo/kgbw/day, the highest dose tested

Ab Initio Construction of Interatomic Potentials for Uranium Dioxide Across all Interatomic Distances

We provide a methodology for generating interatomic potentials for use in classical molecular dynamics simulations of atomistic phenomena occurring at energy scales ranging from lattice vibrations to crystal defects to high energy collisions. A rigorous method to objectively determine the shape of an interatomic potential over all length scales is introduced by building upon a charged-ion generalization of the well-known Ziegler-Biersack-Littmark universal potential that provides the short- and long-range limiting behavior of the potential. At intermediate ranges the potential is smoothly adjusted by fitting to ab initio data. Our formalism provides a complete description of the interatomic potentials that can be used at any energy scale, and thus, eliminates the inherent ambiguity of splining different potentials generated to study different kinds of atomic materials behavior. We exemplify the method by developing rigid-ion potentials for uranium dioxide interactions under conditions ranging from thermodynamic equilibrium to very high atomic energy collisions relevant for fission events.Comment: Figure 4c correcte

The nucleolus functions as a phase-separated protein quality control compartment

The nuclear proteome is rich in stress-sensitive proteins, which suggests that effective protein quality control mechanisms are in place to ensure conformational maintenance. We investigated the role of the nucleolus in this process. In mammalian tissue culture cells under stress conditions, misfolded proteins entered the granular component (GC) phase of the nucleolus. Transient associations with nucleolar proteins such as NPM1 conferred low mobility to misfolded proteins within the liquid-like GC phase, avoiding irreversible aggregation. Refolding and extraction of proteins from the nucleolus during recovery from stress was Hsp70-dependent. The capacity of the nucleolus to store misfolded proteins was limited, and prolonged stress led to a transition of the nucleolar matrix from liquid-like to solid, with loss of reversibility and dysfunction in quality control. Thus, we suggest that the nucleolus has chaperone-like properties and can promote nuclear protein maintenance under stress.We acknowledge support by the MPIB Imaging facility and G. Cardone for providing the algorithm for image quantification

High-K dielectric sulfur-selenium alloys.

Upcoming advancements in flexible technology require mechanically compliant dielectric materials. Current dielectrics have either high dielectric constant, K (e.g., metal oxides) or good flexibility (e.g., polymers). Here, we achieve a golden mean of these properties and obtain a lightweight, viscoelastic, high-K dielectric material by combining two nonpolar, brittle constituents, namely, sulfur (S) and selenium (Se). This S-Se alloy retains polymer-like mechanical flexibility along with a dielectric strength (40 kV/mm) and a high dielectric constant (K = 74 at 1 MHz) similar to those of established metal oxides. Our theoretical model suggests that the principal reason is the strong dipole moment generated due to the unique structural orientation between S and Se atoms. The S-Se alloys can bridge the chasm between mechanically soft and high-K dielectric materials toward several flexible device applications