Mechanical properties of nanocrystalline materials

https://www.onlinelibrary.wiley.com/doi/pdf/10.1002/anie.200351577

Daylight photocatalysis by carbon-modified titanium dioxide

At the atomic-cluster scale, pure boron is markedly similar to carbon, forming simple planar molecules and cage-like fullerenes. Theoretical studies predict that two-dimensional (2D) boron sheets will adopt an atomic configuration similar to that of boron atomic clusters. We synthesized atomically thin, crystalline 2D boron sheets (i.e., borophene) on silver surfaces under ultrahigh-vacuum conditions. Atomic-scale characterization, supported by theoretical calculations, revealed structures reminiscent of fused boron clusters with multiple scales of anisotropic, out-of-plane buckling. Unlike bulk boron allotropes, borophene shows metallic characteristics that are consistent with predictions of a highly anisotropic, 2D metal.

Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs

This article presents an overview of the developments in stainless steels made since the 1990s. Some of the new applications that involve the use of stainless steel are also introduced. A brief introduction to the various classes of stainless steels, their precipitate phases and the status quo of their production around the globe is given first. The advances in a variety of subject areas that have been made recently will then be presented. These recent advances include (1) new findings on the various precipitate phases (the new J phase, new orientation relationships, new phase diagram for the Fe–Cr system, etc.); (2) new suggestions for the prevention/mitigation of the different problems and new methods for their detection/measurement and (3) new techniques for surface/bulk property enhancement (such as laser shot peening, grain boundary engineering and grain refinement). Recent developments in topics like phase prediction, stacking fault energy, superplasticity, metadynamic recrystallisation and the calculation of mechanical properties are introduced, too. In the end of this article, several new applications that involve the use of stainless steels are presented. Some of these are the use of austenitic stainless steels for signature authentication (magnetic recording), the utilisation of the cryogenic magnetic transition of the sigma phase for hot spot detection (the Sigmaplugs), the new Pt-enhanced radiopaque stainless steel (PERSS) coronary stents and stainless steel stents that may be used for magnetic drug targeting. Besides recent developments in conventional stainless steels, those in the high-nitrogen, low-Ni (or Ni-free) varieties are also introduced. These recent developments include new methods for attaining very high nitrogen contents, new guidelines for alloy design, the merits/demerits associated with high nitrogen contents, etc.

Recent developments in stainless steels

: The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg

Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields

Phenomena of metal dusting on iron and nickel (and their alloys) were studied by characterizing both microstructure and nanochemistry of the reaction zones using TEM and AEM techniques. While in case of iron a metastable carbide (cementite) is formed nickel directly disintegrates. In the chromium-rich steel HK40 and the chromium-rich Ni-base alloy Inconel 600 some microstructural chromium dependent features were observed with protective effects against metal dusting. Independent of these differences, in all groups of materials a fundamental common starting mechanism on the atomic scale could be deduced, which first of all comprises the arrangement of basal graphite lattice planes perpendicularly oriented to the carbide (or metal) surface acting as active sites in the disintegration process.

Micromechanisms of metal dusting on Fe‐base and Ni‐base alloys

We report on electrical and microscopic investigations aimed to clarify the origin of near-interface traps (NITs) in metal–silicon dioxide–4H-silicon carbide structures. Using capacitance–voltage and thermal dielectric relaxation current (TDRC) analysis we investigated NITs close to the 4H-SiC conduction-band edge in differently prepared thermal and deposited oxides and found that the traps give rise to two characteristic TDRC signatures belonging to two groups of trap levels. The total trapped charge exceeds 1×1013cm−2. The observed density and energy distribution of these traps are nearly identical in all thermal and deposited oxides investigated, suggesting that the NITs belong to intrinsic defects at the SiO2∕SiC interface which are readily formed during oxide deposition or thermal oxidation of 4H-SiC. Using high-resolution electron microscopy combined with nanochemical analysis (electron energy-loss near-edge spectroscopy and energy-filtered transmission electron microscopy) we investigated the SiO2∕...

Interfaces between 4H-SiC and SiO2: Microstructure, nanochemistry, and near-interface traps

Via catalyst-assisted pyrolysis, Si3N4 and SiC nanowires were produced on the cell walls of polymer-derived ceramic foams. The pyrolysis atmosphere and temperature were the main parameters affecting their development: silicon nitride single-crystal nanowires formed under nitrogen, while silicon carbide ones were produced under argon, and their amount increased with the increasing pyrolysis temperature. Brunauer–Emmett–Teller analysis showed that the presence of the nanowires afforded high specific surface area (SSA) values to the macroporous ceramic foams, ranging from 10 to 110 m2/g. Co-containing samples developed higher SSA values, especially after pyrolysis at 1400°C in N2, than samples containing Fe as a catalyst. The differences were explained in terms of morphology (diameter and assemblage), which depended on the processing conditions and the catalyst type (Co or Fe).

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Growth of One‐Dimensional Nanostructures in Porous Polymer‐Derived Ceramics by Catalyst‐Assisted Pyrolysis. Part I: Iron Catalyst

The synthesis of trimethylsilyl-substituted poly(titaniumcarbodiimide) as a novel precursor for titanium carbonitride based ceramic materials is described. The precursor and the subsequent processing steps (cross-linking and pyrolysis) are characterized by IR and Raman spectroscopy, thermal gravimetric analysis and simultaneous mass spectroscopy, electron microscopy and powder X-ray diffraction measurements. The novel polymer is formed by the reaction of TiCl4 or Ti(NEt2)4 with bis(trimethylsilyl)carbodiimide. Subsequent pyrolysis at 1000 °C in argon results in the formation of a ceramic composite material consisting of nanocrystalline TiCN and amorphous SiCN as constituting phases. Using Ti(NEt2)4 as a starting reagent instead of TiCl4, chlorine contamination of the ceramic material can be avoided. The different molecular vibration modes of the metal–nitrogen, metal–carbon and nitrogen–carbon bonds in poly(titaniumcarbodiimides) with trimethylsilyl substituents were calculated using quantum mechanical methods, providing a comprehensive understanding of the measured spectra. Copyright © 2001 John Wiley & Sons, Ltd.

Synthesis of polymeric precursors for the formation of nanocrystalline Ti-C-N/amorphous Si-C-N composites

The presence of easy-diffusion paths is veryimportant for fast formation or healing of a protectiveCr-rich oxide scale for resistance of chromia-formingsteels against metal dusting. Such easy-diffusion paths, grain boundaries, subboundaries, anddislocations are provided by a fine-grainmicrostructure, cold and/or surface working —polishing, grinding, machining, sand blasting. Theirimportance and effectiveness are demonstrated by various laboratory resultsand also by a failure case and their appearance is shownby TEM studies on ground steel specimens.

Jörg Woltersdorf

Papers

Micromechanisms of metal dusting on Fe‐base and Ni‐base alloys

Interfaces between 4H-SiC and SiO2: Microstructure, nanochemistry, and near-interface traps

Growth of One‐Dimensional Nanostructures in Porous Polymer‐Derived Ceramics by Catalyst‐Assisted Pyrolysis. Part I: Iron Catalyst

Synthesis of polymeric precursors for the formation of nanocrystalline Ti-C-N/amorphous Si-C-N composites

Effects of grain size, cold working, and surface finish on the metal-dusting resistance of steels