Materials Literature
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Chemisorption of small molecules is often used as a probe for By probing the surface properties of transition metal oxides. the interaction of molecules with the surface, information is often obtained on the oxidation state, the coordination symmetry, the degree of coordination unsaturation of the surface cations, the…
This article reviews published data on the mechanical properties of additively manufactured metallic materials. The additive manufacturing techniques utilized to generate samples covered in this review include powder bed fusion (e.g., EBM, SLM, DMLS) and ...Read More
▪ Abstract The phase-field method has recently emerged as a powerful computational approach to modeling and predicting mesoscale morphological and microstructure evolution in materials. It describes a microstructure using a set of conserved and ...Read More
A stochastic model for pit initiation is developed, involving as parameters an initiation frequency for pit nuclei, a death probability for unstable pits, and a critical age which defines the transition between a stable and an unstable pit. Emphasis is placed on validating methods for data analysis to recover the para…
A method is presented for finding particular normal modes for large molecules such as proteins and nucleic acids. The method is based on an iterative approach that extracts eigenvectors of interest from the full second-derivative matrix. Application of the method to the interdomain (hinge-bending) motion of lysozyme y…
We present ab initio Hartree–Fock and valence effective Hamiltonian (VEH) calculations on polyparaphenylene, polypyrrole, and polythiophene dimers and polymer chains. These polymeric materials are among the most studied compounds in the field of conducting polymers. We examine, as a function of the torsion angle betwe…
A simple, sensitive, and quantitative procedure is described for the measurement of collagen and protein content in tissue sections prepared from formalin-fixed paraffin-embedded samples. The method can detect as little as 5.7 micrograms of collagen per mg of protein. It is based on the selective binding of Sirius red…
The current state of experimental and theoretical research into cooperative phenomena in crystals containing off-center ions is reviewed. This field has attracted considerable attention in recent years because of the general interest in disordered systems, including spin glasses of which dipole glass is the electric a…
This review describes the present status of research on the blue phase of cholesteric liquid crystals—a phase state of liquid crystals with unusual properties, whose order parameter exhibits three-dimensional spatial periodicity and which appears in a narrow temperature interval (of the order of 1°). Experimental resu…
Tight divalent metal binding sites in Escherichia coli F1-adenosinetriphosphatase (F1-ATPase) were studied. Native enzyme contained two Mg per F1, confirming previous results. All of the Mg may be replaced by Co or Mn using a dissociation-repolymerization procedure. The substituted enzymes are homogeneous and contain…
The electrical small-polaron (SP) conductivity of Fe 3 O 4 is calculated above the Verwey transition taking into account the polaronic short-range order. It is shown that the conductivity results from the superposition of SP band and SP hopping conduction. Concerning the DC conductivity below room temperature, the SP…
The authors present electronic-structure calculations on chain-like compounds modelling the various microscopic components present in hydrogenated amorphous carbon (a-C:H) films. They demonstrate that the electronic properties are mainly governed by the graphitic component. They describe the influence of polyethylenic…
We show that in contrast to the secondary-electron intensity distribution, the spin polarization, P(E), yields useful information about the electron-electron interaction. The ratio of lifetimes of majority- to minority-spin electrons can be determined directly from the measured values of P(E) by ${\mathrm{\ensuremath{…
By analyzing interference structures in low-energy electron-transmission spectra, we made a direct experimental determination of the electronic band structure in the (111) direction of argon films and possibly in the same direction for methane films in the energy range 0--10 eV relative to vacuum.
A new ordered state characterized by sharp electron diffraction spots showing an arrangement with a twelvefold symmetry axis inconsistent with the existence of a Bravais lattice has been found in small particles of Ni-Cr. Electron microscopic high-resolution structure images of these particles reveal that this orderin…
The nature of chain folding in polymers and the determination of the chain length at which folding occurs have been central questions in polymer science. The study of the formation of lamellar polymer crystals through chain folding has received a new impetus as a result of the recent synthesis of normal alkanes of str…
Abstract Detrital clay minerals alter systematically during burial diagenesis. Smectites evolve via intermediate ‘illite-smectites’ to illite. Trioctahedral ‘smectite-chlorites’ or ‘vermiculite-chlorites’ evolve towards true (polytype Ib) chlorites. In other reactions, authigenic clays (kaolinite, illite, chlorite) pr…
A new theory is presented for describing band gaps and electronic structures of transition-metal compounds. A theoretical phase diagram is presented in which both the metallic sulfides and insulating oxides and halides occur in a quite natural manner.
For pt.I see ibid., vol.18, p.3943 (1985). The results in the preceding paper concerning the variation of the thermal conductivity, lambda , of six potassium and rubidium halides with temperature and pressure are analysed using a Leibfried-Schlomann formulation for the phonon-phonon scattering. The concept of a refere…
Abstract Bei dem Minimum der Liquidus‐Kurve bei 494 K und 50 Mol‐% KNO 3 handelt es sich um ein Pseudo‐Eutektikum, da die Subsolidusphase im gesamten Konzentrationsbereich aus Mischkristallen besteht.