Synthesis and Crystal Structure of the Bioinorganic Complex [Sb(Hedta)]·2H2O by Di Li, Guo-Qing Zhong

“…The Sb(III) ion is five-coordinated by two amido N atoms and three carboxyl O atoms from a single Hedta3− ligand, forming a distorted trigonal bipyramid geometry. …”
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The Bonding Mechanism and Experimental Verification of Pilger Hot Rolling Clad Tube by Zonglin He, Zhibing Chu, Yuanhua Shuang, Yujun Gou

“…The numerical simulation and the experiment are carried out from the diffusion behavior of carbon atoms in the metallurgical bonding process. Based on the dislocation density model of Kocks, the tube billets are rolled by pilger hot rolling; the outer tube is 06Cr19Ni10 stainless steel, the inner tube is Q235 carbon steel, and the wall thickness ratio is 1 : 1. …”
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Crystal structure of Au-pseudocarbyne(C6) by Jun Wu, Pilarisetty Tarakeshwar, Scott G. Sayres, Moreno Meneghetti, Hyunsub Kim, Juan Barreto, Peter R. Buseck

“…Here we report the crystal structure of a Au-pseudocarbyne, a representative of a possible new family of materials consisting of sp-hybridized carbon chains and stabilizing metal atoms. Au-pseudocarbyne(C6), the representative pseudocarbyne containing six-membered carbon chains, has space group P6/mmm191 and unit-cell parameters a = b = 0.60 nm, c = 0.896 nm, α = β = 90°, γ = 120°. …”
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Ab-initio trained machine learning potential for MAX compound Ti2AlC: construction, validation, and study of non linear elasticity by Aishwaryo Ghosh, Amitava Moitra, Tanusri Saha-Dasgupta

“…Finally, applying machine learned potential in classical molecular dynamics provides a faithful representation of the experimentally observed nonlinear elasticity for Ti _2 AlC. The generated atomic configurations confirm the proposal of formation of ripplocations which allow atomic layers to glide relative to each other without breaking the in-plane bonds. …”
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Cross-scale covariance for material property prediction by Benjamin A. Jasperson, Ilia Nikiforov, Amit Samanta, Fei Zhou, Ellad B. Tadmor, Vincenzo Lordi, Vasily V. Bulatov

“…Here we explore covariance between predictions of metal plasticity, from 178 large-scale (~108 atoms) molecular dynamics (MD) simulations, and a variety of indicator properties computed at small-scales (≤102 atoms). …”
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Molecular Dynamics Investigation of the Mechanical Properties of Germanium Reinforced with Iron Nanoparticles at Different Speeds by Majid Samadiyan, Masoud Ajri

“…These interactions made the bonds between the atoms of germanium stronger, and the Young's modulus and ultimate stress of germanium reached 119 and 24 GPa, which were 10 and 9% better than pure germanium, respectively. …”
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Protein and Metalloprotein Distribution in Different Varieties of Beans (Phaseolus vulgaris L.): Effects of Cooking by Aline P. Oliveira, Geyssa Ferreira Andrade, Bianca S. O. Mateó, Juliana Naozuka

“…The total concentration of proteins was determined by Bradford method; Cu and Fe associated with phaseolin and other proteins were obtained by graphite furnace atomic absorption spectrometry and by flame atomic absorption spectrometry, respectively. …”
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Book review: Shock-Induced Chemistry by Toshimori Sekine by Youjun Zhang

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Recent Developments in the Speciation and Determination of Mercury Using Various Analytical Techniques by Lakshmi Narayana Suvarapu, Sung-Ok Baek

“…This paper reviews the speciation and determination of mercury by various analytical techniques such as atomic absorption spectrometry, voltammetry, inductively coupled plasma techniques, spectrophotometry, spectrofluorometry, high performance liquid chromatography, and gas chromatography. …”
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NANOSTRUCTURAL PROCESSES OF MELTING, CRYSTALLIZATION AND MODIFYINGS OF METALS by V. Yu. Stetsenko

“…It is shown that melting, crystallization and modifying of metals are difficult nanostructural processes. The nanocrystals and atoms of metals, the centers of crystallization of dendrites, surface-active elements, gases modifying elements, poorly soluble impurity elements in solid metal generally participate in these processes. …”
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Extracting rates and activation free energies of martensitic transitions using nanomechanical force statistics: theory, models, and analysis by Arijit Maitra, M. P. Gururajan

“…Extensive sampling of the critical forces was performed using nonequilibrium molecular dynamics simulations of an atomic model of single-crystalline titanium nickel. …”
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Effect of Deposit on the Evaporation Rate of Adhered Salt in Uranium Dendrite by Sang Woon Kwon, Si Woo Park, Sung Jai Lee

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Electronic Structure of Hydrogenated and Surface-Modified GaAs Nanocrystals: Ab Initio Calculations by Hamsa Naji Nasir, Mudar A. Abdulsattar, Hayder M. Abduljalil

“…This is attributed to the broken symmetry and surface passivating atoms that split surface degenerate states and adds new levels inside and around the valence band. …”
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A Simple Method for Patterning Nanoparticles on Planar Surfaces by Getachew Tizazu

“…This paper describes a simple method to pattern nanoparticles on planar surfaces using the antifouling property of poly(ethylene glycol) monolayers deposited from a solution on the native oxide of titanium. Atomic force microcopy was used to pattern the poly(ethylene glycol) monolayers producing protein active sites on the protein-resistant surface. …”
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Design of Pd-Based Bimetallic Catalysts for ORR: A DFT Calculation Study by Lihui Ou

“…The surface segregation energy of Pd is primarily determined by the surface energy and the atomic radius of M. The metals M which have smaller atomic radius and higher surface energy would tend to favor the surface segregation of Pd in corresponding Pd-M alloys.…”
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Engineering insights into heater design for oxygen reduction in CZ silicon growth by Amir Reza Ansari Dezfoli

“…With the optimal heater design, an oxygen reduction of 6 Ppma (parts per million atoms) was achieved by simply altering the heater design configuration.…”
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Assessment of TRACE CCFL Model with SBLOCA Experiment of IIST Facility by Jung-Hua Yang, Jong-Rong Wang, Hao-Tzu Lin, Chunkuan Shih

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Collective Modes of an Ultracold 6Li-40K Mixture in an Optical Lattice by Z. G. Koinov

“…A low-energy theory of the Nambu-Goldstone excitation spectrum and the corresponding speed of sound of an interacting Fermi mixture of Lithium-6 and Potassium-40 atoms in a two-dimensional optical lattice at finite temperatures with the Fulde-Ferrell order parameter has been formulated. …”
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Economic Viability of Metallic Sodium-Cooled Fast Reactor Fuel in Korea by S. K. Kim, W. I. Ko, Yoon Hee Lee

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Theoretical Study of the Chemical Properties and the Reaction Pathway of Decarbonylative Alkylative Esterification of Styrenes with Aliphatic Aldehydes by Meysam Madahi, Dadkhoda Ghazanfari, Sayed Ali Ahmadi

“…The localized orbital locator, electron location function analysis, and quantum theory of atoms in the molecule have been used to study the active sites for interactions between reactants. …”
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