Delamination Fracture Related to Tempering in a High-Strength Low-Alloy Steel

The delamination or splitting of mechanical test specimens of rolled steel plate is a phenomenon that has been studied for many years. In the present study, splitting during fracture of tensile and Charpy V-notch (CVN) test specimens is examined in a high-strength low-alloy plate steel. It is shown that delamination did not occur in test specimens from plate in the as-rolled condition, but was severe in material tempered in the temperature range 500 °C to 650 °C. Minor splitting was seen after heating to 200 °C, 400 °C, and 700 °C. Samples that had been triple quenched and tempered to produce a fine equiaxed grain size also did not exhibit splitting. Microstructural and preferred orientation studies are presented and are discussed as they relate to the splitting phenomenon. It is concluded that the elongated as-rolled grains and grain boundary embrittlement resulting from precipitates (carbides and nitrides) formed during reheating were responsible for the delamination.

Pretreatment Effect on Pt/CeO2 Catalyst in the Selective Hydrodechlorination of Trichloroethylene

Pt-ceria catalysts present different surface chemistries depending on the preparation method and the pretreatment. The catalytic behavior of Pt/CeO2 catalysts in the hydrodechlorination of trichloroethylene (TCE) to ethylene was examined as a function of the pretreatment conditions and the noble metal precursor salts. Using FTIR and X-ray photoelectron spectroscopy, significant differences were observed in the surface properties of Pt/CeO2 prepared from the H2PtCl6 precursor after different pretreatment procedures (i.e.. reduction or oxidation-reduction). These surface changes are related to chloride residues from the synthesis. Strong changes were observed in the selectivity of the catalysts to ethylene depending on the pretreatment conditions. The 0.5%Pt/CeO2 catalyst showed a 13% selectivity toward ethylene after reduction, whereas alter oxidation, followed by reduction, the selectivity increased up to 85% at the same conversion level. This effect was only observed when a chloride-containing precursor was used in the preparation. In this way, it is demonstrated that the use of a Cl-containing Pt precursor and an air treatment prior to reduction strongly improves the ethylene selectivity of Pt-CeO2 dechlorination catalysts. This can be explained by formation or a CeOCl phase during the synthesis that decomposes upon air tempering, producing oxygen vacancies on the ceria support. We propose that these oxygen vacancies are active for cleaving off Cl from the TCE. Pt then supplies II to clean-off Cl as HCl. Reaction of TCE on Pt produces rather ethane, so Pt may be partly Cl-poisoned for the hydrodechlorination reaction but not for II, dissociation or CO adsorption.

Fracture surface, impact energy and hardness of Ni-free high-Mn steels

Two manganese steels were investigated: Fe-19.7%Mn (VM339A) and Fe-19.7%Mn stabilized with 0.056%C, 0.19%Ti and 0.083%Al (VM339B). The toughness of VM339A was higher than VM339B, but VM339B had higher hardness. Tempering does not affect the toughness of the alloys. SEM images of the fracture surface for both the alloys revealed ductile fractures. A further alloy with a lower manganese content, Fe-8.46%Mn-0.24%Nb-0.038%C, and thus even lower cost than the conventional 3.5Ni cryogenic steel, was tested for its impact toughness after heat treatment at 600°C, giving promising results.

Using sketch-map coordinates to analyze and bias molecular dynamics simulations

When examining complex problems, such as the folding of proteins, coarse grained descriptions of the system drive our investigation and help us to rationalize the results. Oftentimes collective variables (CVs), derived through some chemical intuition about the process of interest, serve this purpose. Because finding these CVs is the most difficult part of any investigation, we recently developed a dimensionality reduction algorithm, sketch-map, that can be used to build a low-dimensional map of a phase space of high-dimensionality. In this paper we discuss how these machine-generated CVs can be used to accelerate the exploration of phase space and to reconstruct free-energy landscapes. To do so, we develop a formalism in which high-dimensional configurations are no longer represented by low-dimensional position vectors. Instead, for each configuration we calculate a probability distribution, which has a domain that encompasses the entirety of the low-dimensional space. To construct a biasing potential, we exploit an analogy with metadynamics and use the trajectory to adaptively construct a repulsive, history-dependent bias from the distributions that correspond to the previously visited configurations. This potential forces the system to explore more of phase space by making it desirable to adopt configurations whose distributions do not overlap with the bias. We apply this algorithm to a small model protein and succeed in reproducing the free-energy surface that we obtain from a parallel tempering calculation.

Probing the Unfolded Configurations of a β-Hairpin Using Sketch-Map

This work examines the conformational ensemble involved in β-hairpin folding by means of advanced molecular dynamics simulations and dimensionality reduction. A fully atomistic description of the protein and the surrounding solvent molecules is used, and this complex energy landscape is sampled by means of parallel tempering metadynamics simulations. The ensemble of configurations explored is analyzed using the recently proposed sketch-map algorithm. Further simulations allow us to probe how mutations affect the structures adopted by this protein. We find that many of the configurations adopted by a mutant are the same as those adopted by the wild-type protein. Furthermore, certain mutations destabilize secondary-structure-containing configurations by preventing the formation of hydrogen bonds or by promoting the formation of new intramolecular contacts. Our analysis demonstrates that machine-learning techniques can be used to study the energy landscapes of complex molecules and that the visualizations that are generated in this way provide a natural basis for examining how the stabilities of particular configurations of the molecule are affected by factors such as temperature or structural mutations.

Investigation of the solid-liquid phase transition of carbon at 150 GPa with spectrally resolved X-ray scattering

We have resolved the solid-liquid phase transition of carbon at pressures around 150GPa. High-pressure samples of different temperatures were created by laser-driven shock compression of graphite and varying the initial density from 1.30g/cm³ to 2.25g/cm³. In this way, temperatures from 5700K to 14,500K could be achieved for relatively constant pressure according to hydrodynamic simulations. From measuring the elastic X-ray scattering intensity of vanadium K-alpha radiation at 4.95keVat a scattering angle of 126°, which is very sensitive to the solid-liquid transition, we can determine whether the sample had transitioned to the fluid phase. We find that samples of initial density 1.3g/cm³ and 1.85g/cm³ are liquid in the compressed states, whereas samples close to the ideal graphite crystal density of 2.25g/cm³ remain solid, probably in a diamond-like state.

The impact toughness of a nitride-strengthened martensitic heat resistant steel

The nitride-strengthened martensitic heat resistant steel is precipitation strengthened only by nitrides. In the present work, the effect of nitride precipitation behavior on the impact toughness of an experimental steel was investigated. Nitrides could hardly be observed when the steel was tempered at 650°C. When the tempering temperature was increased to 700°C and 750°C, a large amount of nitrides were observed in the matrix. It was surprising to reveal that the impact energy of the half-size samples greatly increased from several Joules to nearly a hundred Joules. The ductile-brittle transition temperature (DBTT) was also discovered to decrease from room temperature to −50°C when the tempering temperature was increased from 650°C to 750°C. The nitride precipitation with increasing tempering temperature was revealed to be responsible for the improved impact toughness.

Predicting axial velocity profiles within a diffusing marine propeller jet

A full understanding of the hydrodynamic processes within the jet produced by a manoeuvring ship’s propeller is essential in the development and maintenance of ports, docks and harbours. In this study the predominant axial velocity component of a diffusing propeller jet was studied. The flow fields formed by four propellers, each operating at four power levels (speeds of rotation), were investigated under bollard pull conditions within a large free surface tank using Laser Doppler Anemometry. Comparison were made to existing methodologies by which a prediction of the magnitudes of the axial velocity can be made, and where deficient modifications to the methodologies have been developed. The jets were found to produce a maximum axial velocity along the initial efflux plane at a location near the blade mid-span. The position and magnitude of the axial velocity was seen to decrease as the jet entrained more flow and transitioned from the zone of flow establishment into the zone of established flow.

LSQ13fn: A type II-Plateau supernova with a possibly low metallicity progenitor that breaks the standardised candle relation∗

We present optical imaging and spectroscopy of supernova (SN) LSQ13fn, a type II supernova with several hitherto-unseen properties. Although it initially showed strong symmetric spectral emission features attributable to He ii, N iii, and C iii, reminiscent of some interacting SNe, it transitioned into an object that would fall more naturally under a type II-Plateau (IIP) classification. However, its spectral evolution revealed several unusual properties: metal lines appeared later than expected, were weak, and some species were conspicuous by their absence. Furthermore, the line velocities were found to be lower than expected given the plateau brightness, breaking the SN IIP standardised candle method for distance estimates. We found that, in combination with a short phase of early-time ejecta-circumstellar material interaction, metal-poor ejecta, and a large progenitor radius could reasonably account for the observed behaviour. Comparisons with synthetic model spectra of SNe IIP of a given progenitor mass would imply a progenitor star metallicity as low as 0.1 Z_⊙. LSQ13fn highlights the diversity of SNe II and the many competing physical effects that come into play towards the final stages of massive star evolution immediately preceding core-collapse.

Effect of Single and Double Austenitization heat treatments on the Microstructure and Hardness of AISI D2 Tool Steel

This investigation is concerned with the study of effect of Double Austenitization (DA) and Single Austenitization (SA) heat treatment processes on microstructure and mechanical property of AISI D2type cold worked tool steel. To maximize hardness, tool steels are used in a quenched and tempered condition. This involves heating the material to the austenitizing temperature (∼850−1100 °C), quenching at an appropriate rate to form martensite, and tempering to reduce the retained austenite content and induce toughness. The merits of DA treatment isto promote dissolution of carbides at the same time proscribe grain coarsening significantly was attempted in D2 tool steel. The study has found that DA treatment has induced high hardness with insignificant growth in grains. The increase in hardness is attributed to increase in carbon content in matrix due to dissolution of carbides; whereas finer grains due to role of inclusions.

Effect of Single and Double Austenitization heat treatments on the Microstructure and Hardness of AISI D2 Tool Steel

This investigation is concerned with the study of effect of Double Austenitization (DA) and Single Austenitization (SA) heat treatment processes on microstructure and mechanical property of AISI D2type cold worked tool steel. To maximize hardness, tool steels are used in a quenched and tempered condition. This involves heating the material to the austenitizing temperature (∼850−1100 °C), quenching at an appropriate rate to form martensite, and tempering to reduce the retained austenite content and induce toughness. The merits of DA treatment isto promote dissolution of carbides at the same time proscribe grain coarsening significantly was attempted in D2 tool steel. The study has found that DA treatment has induced high hardness with insignificant growth in grains. The increase in hardness is attributed to increase in carbon content in matrix due to dissolution of carbides; whereas finer grains due to role of inclusions.