Materials Literature
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This work presents coalescence of air bubbles and stability of foams in aqueous solutions of polyoxyethylene (4) lauryl ether (Brij 30), polyoxyethylene (23) lauryl ether (Brij 35), and polyoxyethylene (20) oleyl ether (Brij 98). Adsorption of these surfactants at the air−water interface was also studied. The surface…
Static high pressure diamond anvil cell experiments were performed on three polycrystalline Zr samples having varying interstitial impurity concentrations. Systematic increase in transition pressure with the increase in the amount of interstitial impurities is observed for the martensitic α →ω structural phase transit…
Abstract Four new heteropolyanions {[PMo 12 Sb 2 O 40 ][Cu(Im) 2 ] 2 } · Im ( 1 ), {[PMo 12 Sb 2 O 40 ][(Cd(Phen) 2 ) 2 Cl]} ( 2 ), [Cu(Phen) 2 ] 2 [PMo 12 Sb 2 O 40 ] ( 3 ) and [Cd(bpy) 4 (H 2 O) 2 ][PMo 12 Sb 2 O 40 ] · bpy · 2H 2 O ( 4 ) (Im = imidazole, Phen = 1,10‐phenanthroline, bpy = 4,4′‐bipyridine) have been…
We present a first-principles-based, multiscale single-crystal plasticity model for fcc metals and apply it to nickel. The model consists of a phase field approach to dislocation dynamics (PFDD) with all its input parameters obtained from equilibrium and nonequilibrium molecular-dynamics (MD) simulations. The atomisti…
A new Kolsky tension bar has been re-designed and developed at Sandia National Laboratories, CA. The new design uses the concept that a solid striker is fired to impact an end cap attached to the open end of the gun barrel to generate dynamic tensile loading. The gun barrel here serves as part of the loading device. T…
We studied the role of different Se precursors for PbSe nanorod (NR) synthesis, focusing on phosphine chemistry to understand precursor decomposition. After characterizing the morphology of PbSe nanocrystals (NCs) and NRs with absorption spectra and TEM analyses, we used 31P NMR to correlate morphology with precursor…
This work is a theoretical study of 40-atom Pt–Au clusters which are of interest owing to the electronic shell closure of 40-atom noble metal clusters and the current focus on bimetallic Pt–Au clusters as catalysts. The methodology is a complementary combination of a genetic algorithm search for an empirical potential…
The exchange of lithium for univalent copper in CuNbO 3 has been investigated. A new form of LiNbO 3 with a lamellar structure has been synthesized from the topotactic reaction between CuNbO 3 and a molten salt corresponding to the eutectic “LiCl/LiNO 3 ”. This compound crystallizes in the P 2 1 / a space group with a…
First principles calculations based on density functional theory are carried out to study the effect of lithium functionalization of experimentally synthesized BC 3 nanotube on charge transfer, electrostatic potential, and hydrogen storage. Electron-deficient BC 3 nanotube is found to promote charge transfer from Li t…
When treating metastatic tumors, chemoresistance can cause problems. A report in this issue of Science Translational Medicine demonstrates the potential of nanodiamond carriers (2 to 8 nanometers) for treating cancers with drug-efflux-based chemoresistance. Nanodiamond-mediated delivery of the chemotherapeutic doxorub…
Refinement of macromolecular models from X-ray crystallography experiments benefits from prior chemical knowledge at all resolutions. As the quality of the prior chemical knowledge from quantum or classical molecular physics improves, in principle so will resulting structural models. Due to limitations in computer per…
In the present work, we report a new manganese single-chain magnet built from tetranuclear Mn(II)(2)Mn(III)(2) mixed-valence units linked by end-on azido and oximato bridges. All of the intra- and intercluster interactions involve end-on azido bridges, resulting in one ferromagnetic chain of ferromagnetic clusters wit…
Bioengineering approaches have been intensively applied to create small diameter vascular grafts using artificial materials. However, a fully successful, high performing and anti-thrombogenic structure has not been achieved yet. In this study, we have designed and fabricated a novel non-woven fibrous vascular graft wi…
Ceria-supported copper is a wonderful catalyst for the water−gas shift (WGS) reaction which has been demonstrated experimentally. Using first-principles calculations based on density functional theory (DFT), we identify the mechanisms for the growth of small Cu clusters (Cu x, x = 1−4) on ceria and the dissociation of…
High-quality InP/ZnS core-shell nanocrystal quantum dots (NQDs) were synthesized as a heavy-metal-free alternative to the gain media of cadmium-based colloidal nanoparticles. Upon UV excitation, amplified spontaneous emission (ASE) and optical gain were observed, for the first time, in close-packed InP/ZnS core-shell…
Nanocomposites offer unique capabilities of controlling thermal transport through the manipulation of various structural aspects of the material. However, measurements of the thermal properties of these composites are often difficult, especially porous nanomaterials. Optical measurements of these properties, although…
Two new barium borogermanates with two types of novel structures, namely, Ba 3 [Ge 2 B 7 O 16 (OH) 2 ](OH)(H 2 O) and Ba 3 Ge 2 B 6 O 16, have been synthesized by hydrothermal or high-temperature solid-state reactions. They represent the first examples of alkaline-earth borogermanates. Ba 3 [Ge 2 B 7 O 16 (OH) 2 ](OH)…
We prove that CdS nanocrystals can be thermodynamically stabilized in both wurtzite and zinc-blende crystallographic phases at will, just by the proper choice of the capping ligand. As a striking demonstration of this, the largest CdS nanocrystals (∼15 nm diameter) ever formed with the zinc-blende structure have been…
A facile approach to prepare CdSe/ZnS quantum dot-encapsulated chitosan hybrid nanospheres (CS-QD) is developed by utilizing ethanol-aided counterion complexation in aqueous solution. The obtained CS-QD hybrid nanospheres have not only the loading space provided by the chitosan spherical matrix for loading multiply QD…
Solid lipid nanoparticles (SLNs) are submicrometer (1-1000 nm) colloidal carriers developed in the past decade as an alternative system to traditional carriers (emulsions, liposomes, and polymeric nanoparticles) for intravenous applications. Because of their potential as drug carriers, there is much interest in unders…