Materials Literature
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The pressure-driven phase transformation from the sphalerite (B3) to rock salt (B1) crystal structures is studied in “constant stress” molecular dynamics simulations of ionic nanocrystals. Direct observation and calculated diffraction patterns confirm the transition. The mechanism is described and is shown to have con…
The sliding in a Ni symmetrical tilt grain boundary, $\ensuremath{\Sigma}5$ (012) [100], is investigated by modified Parrinello-Rahman molecular dynamics which deals with the thermodynamic ensemble characterized by the number of atoms $N$, temperature $T$, and the shear stress $\mathbf{t}$. It is found that the grain…
Abstract A series of nanocomposite hydrogels used for bioadhesive were prepared from acrylic acid, poly(ethylene glycol) methyl ether acrylate, and intercalated hydrotalcite (HT) by photopolymerization. The microstructures of the intercalated HT and sample gels were identified by X‐ray diffraction (XRD). The results s…
DNA molecules are useful building blocks and nanotemplates for controllable fabrication of various bioinorganic nanostructures due to their unique physical-chemical properties and recognition capabilities and the synthetic availability of desired nucleotide sequences and length. We have synthesized novel DNA complexes…
A series of nine porphyrin analogues have been synthesized using the "3 + 1" variant on the MacDonald condensation. Tripyrrane-type systems with a centrally unsubstituted pyrrole, furan, or thiophene ring were prepared using conventional methods, and these were condensed with indene-1,3-dicarbaldehyde, 5-formylsalicyl…
In this work, we demonstrate the synthesis of arrays of 1.5 mm long, aligned, straight single-walled nanotubes fabricated using a single furnace with methane and H2 as the feedstock. The growth of the nanotubes was terminated only by the presence of a neighboring catalyst site.
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Using optical spectroscopy with diffraction limited spatial resolution, the possibility of measuring the luminescence from single impurity centers in a semiconductor is demonstrated. Selectively studying individual centers that are formed by two neighboring nitrogen atoms in GaAs makes it possible to unveil their othe…
Abstract Microcellular foaming of low‐ T g biodegradable and biocompatible polycaprolactone (PCL) in supercritical CO 2 has been studied. The purpose is to apply microcellular materials to drug containers and medical materials for artificial skin or bone. Effects of a series of variable factors on the foam structures,…
We studied the linear and nonlinear optical responses in the one-dimensional (1D) Mott insulators of the halogen $(X)$-bridged nickel compounds (the $\mathrm{Ni}X$-chain compounds), $[{\mathrm{Ni}(\mathrm{chxn})}_{2}X]$${Y}_{2}$ [$X,Y=\mathrm{Cl}$; $X,Y=\mathrm{Br}$; $X=\mathrm{Cl}$, $Y={\mathrm{NO}}_{3}$: (chxn)=cycl…
The complexation of poly(methacrylic acid) (PMAA) brushes prepared by the “grafting from” technique with silver, calcium, copper, aluminum, and lanthanum ions was studied. XP and IR spectra confirmed the formation of stable complexes. The IR spectra revealed different coordination geometries depending on the nature of…
Abstract Oxygen transport was coupled with other methods to study the relationship of gas barrier to solid state structure in the PET blown bottle wall. Commercial 2‐L carbonated soft drink bottles blown under different process conditions were studied. Crystallinity determinations from heat of melting, density, glycol…
A fiber specimen of B-amylose was prepared from enzymatically synthesized amylose, which is a purely linear 1,4-linked poly-α- d -glucose. X-ray crystal structure analysis was carried out by using the newly collected intensity data, which was estimated by using imaging plate according to the new procedure. The molecul…
Three new azulene-based substituted pyridinium cations, azulene-1-azo( N -methyl-4‘-pyridinium) ( 1 + ), azulene-1-[( E )-2-( N -methyl-4‘-pyridinium)ethenyl] ( 2 + ), and azulene-1-azo[( N -methyl-5‘-quinolinium)] ( 3 + ) were synthesized, and their crystal structures solved by X-ray diffraction. A set of crystallogr…
We use Brownian dynamics simulations in combination with the umbrella sampling technique to study the effect of shear flow on homogeneous crystal nucleation. We find that a homogeneous shear rate leads to a significant suppression of the crystal nucleation rate and to an increase of the size of the critical nucleus. A…
Molecular dynamics simulations are used to study mechanical energy dissipation in carbon nanotube oscillators of lengths of tens of nanometers. The principal source of friction is found to be the ends of the tubes and hence dynamical friction is virtually independent of the overlap area between tubes. As a result of t…
In this paper, we report a process control strategy for the production of metastable α-form glycine crystals of a desired mean mass size by manipulating the alternating temperature profile and the final termination temperature. The seed crystals of the α-form glycine introduced were grown successfully to the size of t…
The synthesis of several end-functionalized poly(2-isopropyl-2-oxazolines) (P i PrOx) has been achieved via cationic ring-opening polymerization of 2-isopropyl-2-oxazoline. Poly(2-isopropyl-2-oxazolines) bearing primary amino groups at one chain end (Me-P i PrOx-NH 2, with M n ranging from 3600 to 9700) were obtained…
Cr $2p$ core excited x-ray absorption and x-ray magnetic circular dichroism (XMCD) spectra of ferromagnetic ${\mathrm{Cr}}_{1\text{\penalty1000-\hskip0pt}\ensuremath{\delta}}\mathrm{Te}$ with several concentrations of $\ensuremath{\delta}=0.11--0.33$ and ferrimagnetic ${\mathrm{Cr}}_{5}{\mathrm{S}}_{6}$ have been meas…
We present here a new determination of the quadrupole moment Q of hyperfine-probe-nuclei states of three different In isotopes: the 5+ 192 keV excited state of 114In (probe for Nuclear Orientation experiments), the 9/2+ ground state of 115In (Nuclear Magnetic and Nuclear Quadrupole Resonance probe) and the 3/2+ 659 ke…