Molecular dynamics modelling of diffusional formation of titanium carbide clusters in iron matrix

Molecular dynamics simulation was employed to study the atomic interactions in titanium carbides and iron matrix containing carbon and titanium, which are significant for understanding the formation of titanium carbide cluster during precipitate process. The atoms trajectory and diffusion coefficients of carbon in titanium carbide were analyzed to provide a vacancy-exchanging mechanism and clarify the carbon concentration dependence of carbon diffusion in titanium carbide. The dependence of the formation of titanium carbide cluster in iron matrix on carbon was determined from the study of atoms diffusivity, cluster formation and formation energy of titanium carbide cluster. The simulation results provided insight into the carbon diffusion process and improved the understanding of the formation of titanium carbide cluster.

A molecular dynamics simulation of alloy carbide clusters formation

 The formation of alloy carbide cluster in ferrite was investigated via molecular dynamics simulation, which disclosed the cluster property and formation mechanism. These together provided a better fundamental understanding of the cluster formation and firm information for the evolution of cluster and precipitate in high-strength low-alloy steel.

Boron carbide reinforced aluminium matrix composite : physical, mechanical characterization and mathematical modelling

This paper investigates the manufacturing of aluminium-boron carbide composites using the stir casting method. Mechanical and physical properties tests to obtain hardness, ultimate tensile strength (UTS) and density are performed after solidification of specimens. The results show that hardness and tensile strength of aluminium based composite are higher than monolithic metal. Increasing the volume fraction of B4C, enhances the tensile strength and hardness of the composite; however over-loading of B4C caused particle agglomeration, rejection from molten metal and migration to slag. This phenomenon decreases the tensile strength and hardness of the aluminium based composite samples cast at 800 °C. For Al-15 vol% B4C samples, the ultimate tensile strength and Vickers hardness of the samples that were cast at 1000 °C, are the highest among all composites. To predict the mechanical properties of aluminium matrix composites, two key prediction modelling methods including Neural Network learned by Levenberg-Marquardt Algorithm (NN-LMA) and Thin Plate Spline (TPS) models are constructed based on experimental data. Although the results revealed that both mathematical models of mechanical properties of Al-B4C are reliable with a high level of accuracy, the TPS models predict the hardness and tensile strength values with less error compared to NN-LMA models.

Quantitative examination of carbide and sulphide precipitates in chemically complex steels processed by direct strip casting

A high strength low alloy steel composition has been melted and processed by two different routes: simulated direct strip casting and slow cooled ingot casting. The microstructures were examined with scanning and transmission electron microscopy, atom probe tomography and small angle neutron scattering (SANS). The formation of cementite (Fe3C), manganese sulphides (MnS) and niobium carbo-nitrides (Nb(C,N)) was investigated in both casting conditions. The sulphides were found to be significantly refined by the higher cooling rate, and developed an average diameter of only 100 nm for the fast cooled sample, and a diameter too large to be measured with SANS in the slow cooled condition (> 1.1 μm). Slow cooling resulted in the development of classical Nb(C,N) precipitation, with an average diameter of 7.2 nm. However, after rapid cooling both the SANS and atom probe tomography data indicated that the Nb was retained in the matrix as a random solid solution. There was also some evidence that O, N and S are also retained in solid solution in levels not found during conventional processing.

The textural properties and microstructure of konjac glucomannan - tungsten gels induced by DC electric fields

Konjac glucomannan - tungsten (KGM-T) gels were successfully prepared under DC electric fields, in the presence of sodium tungstate. The textural properties and microstructure of the gels were investigated by Texture Analyzer, Rheometer and SEM. Based on the response surface methodology (RSM) results, the optimum conditions for KGM-T gel springiness is 0.32% sodium tungstate concentration, 0.54% KGM concentration, 24.66V voltage and 12.37min treatment time. Under these conditions, the maximum springiness value of KGM-T gel is 1.21mm. Steady flow measurement indicated that KGM-T gel showed characteristic non-Newtonian pseudoplastic behaviour, with low flow behaviour indexes in the shear thinning region. SEM demonstrated the porosity of the freeze-dried samples. These findings may pave the way to use DC electric fields for the design and development of KGM gels and to apply KGM gels for practical applications.

Effect of microstructure on the stability of retained austenite in transformation-induced-plasticity steels

Two Fe-0.2C-1.55Mn-1.5Si (in wt pet) steels, with and without the addition of 0.039Nb (in wt pet), were studied using laboratory rolling-mill simulations of controlled thermomechanical processing. The microstructures of all samples were characterized by optical metallography, X-ray diffraction (XRD), and transmission electron microscopy (TEM). The microstructural behavior of phases under applied strain was studied using a heat-tinting technique. Despite the similarity in the microstructures of the two steels (equal amounts of polygonal ferrite, carbide-free bainite, and retained austenite), the mechanical properties were different. The mechanical properties of these transformation-induced-plasticity (TRIP) steels depended not only on the individual behavior of all these phases, but also on the interaction between the phases during deformation. The polygonal ferrite and bainite of the C-Mn-Si steel contributed to the elongation more than these phases in the C-Mn-Si-Nb-steel. The stability of retained austenite depends on its location within the microstructure, the morphology of the bainite, and its interaction with other phases during straining. Granular bainite was the bainite morphology that provided the optimum stability of the retained austenite.

Ferritic nitrocarburising of tool steels

Four different tool steel materials, P20, H13, M2 and D2, were nitrocarburised at 570°C in a fluidised bed furnace. The reactive diffusion of nitrogen and carbon into the various substrate microstructures is compared and related to the different alloy carbide distributions. The effect of carbon bearing gas (carbon dioxide, natural gas) on carbon absorption is reported, as well as its influence on compound layer growth and porosity. Partial reduction of Fe3O4 at the surface resulted in the formation of a complex, epsi-nitride containing oxide layer. In H13, carbon was deeply absorbed throughout the entire diffusion zone, affecting the growth of grain boundary cementite, nitrogen diffusivity and the sharpness of the compound layer: diffusion zone interface. When natural gas was used, carbon became highly concentrated in the compound layer, while surface decarburisation occurred with carbon dioxide. These microstructural effects are discussed in relation to hardness profiles, and compound layer hardness and ductility. The surfaces were characterised using glow discharge optical emission spectroscopy, optical and scanning electron microscopy and X-ray diffraction.

Three-dimensional atom probe analysis of solute distribution in thermomechanically processed TRIP steels

Complex multiphase microstructures were obtained in transformation induced plasticity C–Mn–Si–(Nb–Al–Mo) steels by simulated controlled thermomechanical processing. These microstructures were characterized using transmission electron microscopy, X-ray diffraction and three-dimensional atom probe tomography (APT), which was used to determine the partitioning of elements between different phases and microconstituents. The measured carbon concentration (not, vert, similar0.25 at%) in the ferrite of carbide-free bainite was higher than expected from para-equilibrium between the austenite and ferrite, while the concentrations of substitutional elements were the same as in the parent austenite suggesting that incomplete bainite transformation occurred. In contrast, the distribution of substitutional elements between the ferrite lath and austenite in carbide-containing bainite indicated a complete bainite reaction. The average carbon content in the retained austenite (3.2 ± 1.6 at%) was somewhat higher than the T0 limit. On the basis of the APT measured composition, the calculated Ms temperatures for retained austenite were above room temperature, indicating its low chemical stability.

Effect of process variables on formation of dynamic strain induced ultrafine ferrite during hot torsion testing

Ultrafine grain sizes were produced using hot torsion testing of a 0.11C-1.68Mn-0.20Si (wt-%) steel, with ultrafine ferrite (<1 µm) nucleating intragranularly during testing by dynamic strain induced transformation. A systematic study was made of the effect of isothermal deformation temperature, strain level, strain rate, and accelerated cooling during deformation on the formation of ultrafine ferrite by this process. Decreasing the isothermal testing temperature below the Ae₃ temperature led to a greater driving force for ferrite nucleation and thus more extensive nucleation during testing; the formation of Widmanstätten ferrite prior to, or early during, deformation imposed a lower temperature limit. Increasing the strain above that where ferrite first began 0.8 at 675C and a strain rate of 3 s¯¹ increased the intragranular nucleation of ferrite. Strain rate appeared to have little effect on the amount of ferrite formed. However, slower strain rates led to extensive polygonisation of the ferrite formed because more time was available for ferrite recovery. Accelerated cooling during deformation followed by air cooling to room temperature led to a uniform microstructure consisting of very fine ferrite grains and fine spherical carbides located in the grain boundaries regions. Air cooling after isothermal testing led to carbide bands and a larger ferrite grain size.

Effect of alloying elements on the microstructure property relationship in thermomechanically processed C-Mn-Si TRIP steels

The effect of additions of Nb, Al and Mo to Fe-C-Mn-Si TRIP steel on the final microstructure and mechanical properties after simulated  thermomechanical processing (TMP) has been studied. The laboratory simulations of discontinuous cooling during TMP were performed using a hot rolling mill. All samples were characterised using optical microscopy and image analysis. The volume fraction of retained austenite was ascertained using a heat tinting technique and X-ray diffraction measurements. Room temperature mechanical properties were determined by a tensile test. From this a comprehensive understanding of the structural aspect of the bainite transformation in these types of TRIP steels has been developed. The  results have shown that the final microstructures of thermomechanically processed TRIP steels comprise 50 % of polygonal ferrite, 7 - 12 % of retained austenite, non-carbide bainitic structure and martensite. All steels exhibited a good combination of ultimate tensile strength and total elongation. The microstructure-property examination revealed the relationship between the composition of TRIP steels and their mechanical properties. It has been shown that the addition of Mo to the C-Si-Mn-Nb TRIP steel increases the ultimate tensile strength up to 1020 MPa. The stability of the retained austenite of the Nb-Mo steel was degraded, which led to a decrease in the elongation (24 %). The results have demonstrated that the addition of Al to C-Si-Mn-Nb steel leads to a good combination of strength (∼ 940 MPa) and elongation (∼ 30 %) due to the formation of refined acicular ferrite and granular bainite structure with ∼7 - 8 % of stable retained austenite. Furthermore, it has been found that the addition of Al increases the volume fraction of bainitic ferrite laths. The investigations have shown an interesting result that, in the Nb-Mo-Al steel, Al has a more pronounced effect on the microstructure in comparison with Mo. It has been found that the bainitic structure of the Nb-Mo-Al steel appears to be more granular than in the Nb-Mo steel. Moreover, the volume fraction of the retained austenite increased (12 %) with decreasing bainitic ferrite content. The results have demonstrated that this steel has the best mechanical properties (1100 MPa and 28 % elongation). It has been concluded that the combined effect of Nb, Mo, and Al addition on the dispersion of the bainite, martensite and retained austenite in the ferrite matrix and the morphology of these phases is different than effect of Nb, Mo and Al, separately.

Effect of alloying elements on the microstructure-property relationship in thermomechanically processed C-Mn-Si TRIP steels

The effect of additions of Nb, Al and Mo to Fe-C-Mn-Si TRIP steel on the final microstructure and mechanical properties after simulated thermomechanical processing (TMP) has been studied. The laboratory simulations of discontinuous cooling during TMP were performed using a hot rolling mill. All samples were characterised using optical microscopy and image analysis. The volume fraction of retained austenite was ascertained using a heat tinting technique and X-ray diffraction measurements. Room temperature mechanical properties were determined by a tensile test. From this a comprehensive understanding of the structural aspect of the bainite transformation in these types of TRIP steels has been developed. The results have shown that the final microstructures of thermomechanically processed TRIP steels comprise 50 % of polygonal ferrite, 7 - 12 % of retained austenite, non-carbide bainitic structure and martensite. All steels exhibited a good combination of ultimate tensile strength and total elongation. The microstructure-property examination revealed the relationship between the composition of TRIP steels and their mechanical properties. It has been shown that the addition of Mo to the C-Si-Mn-Nb TRIP steel increases the ultimate tensile strength up to 1020 MPa. The stability of the retained austenite of the Nb-Mo steel was degraded, which led to a decrease in the elongation (24 %). The results have demonstrated that the addition of Al to C-Si-Mn-Nb steel leads to a good combination of strength (∼ 940 MPa) and elongation (∼ 30 %) due to the formation of refined acicular ferrite and granular bainite structure with ∼7 - 8 % of stable retained austenite. Furthermore, it has been found that the addition of Al increases the volume fraction of bainitic ferrite laths. The investigations have shown an interesting result that, in the Nb-Mo-Al steel, Al has a more pronounced effect on the microstructure in comparison with Mo. It has been found that the bainitic structure of the Nb-Mo-Al steel appears to be more granular than in the Nb-Mo steel. Moreover, the volume fraction of the retained austenite increased (12 %) with decreasing bainitic ferrite content. The results have demonstrated that this steel has the best mechanical properties (1100 MPa and 28 % elongation). It has been concluded that the combined effect of Nb, Mo, and Al addition on the dispersion of the bainite, martensite and retained austenite in the ferrite matrix and the morphology of these phases is different than effect of Nb, Mo and Al, separately.

Patterned growth and cathodoluminescence of conical boron nitride nanorods

We demonstrate a simple and effective approach for growing large-scale, high-density, and well-patterned conical boron nitride nanorods. A catalyst layer of Fe(NO₃)₃ was patterned on a silicon substrate by using a copper grid as a mask. The nanorods were grown via annealing milled boron carbide powders at 1300 °C in a flow of nitrogen gas. The as-grown nanorods exhibit uniform morphology and the catalyst pattern precisely defines the position of nanorod deposition. Cathodoluminescence (CL) spectra of the nanorods show two broad emission bands centered at 3.75 and 1.85 eV. Panchromatic CL images reveal clear patterned structure

Conical boron nitride nanorods synthesized via the ball-milling and annealing method

A boron nitride (BN) nanostructure, conical BN nanorod, has been synthesized in a large quantity on Si substrates for the first time via the ball-milling and annealing method. Nitridation of milled boron carbide (B₄C) powders was performed in nitrogen gas at 1300°C on the surface of the substrates to form the BN nanorods. The highly crystallized nanorods consist of conical BN basal layers stacked along the nanorod axis. Ball milling of the B₄C powders can significantly enhance the nitridation of the powders and thus facilitate the formation of nanorods during the annealing process.

One-dimensional nanomaterials synthesized using high-energy ball milling and annealing process

One-dimensional (1D) nanomaterials including nanotubes, nanowires and nanorods have many new properties, functionalities and a large range of promising applications. A major challenge for these future industrial applications is the large-quantity production. We report that the ball milling and annealing process has the potential to achieve the mass production. Several examples including C, BN nanotubes and SiC, Zn nanowires are presented to demonstrate such capability. In addition, both size and structure of 1D nanomaterials can be controlled by varying processing conditions. New growth mechanisms involved in the process have been investigated and the high-energy ball milling has an important role in the formation of these 1D nanomaterials.

Electron backscattering diffraction analysis of an ancient wootz steel blade from central India

The electron backscattering diffraction technique was used to analyse the nature of carbides present in an ancient wootz steel blade. Bulky carbides, pro-eutectoid carbide along the prior austenite grain boundaries and fine spheroidized carbides were detected. Electron backscattering diffraction was employed to understand the texture of these carbides. The orientations of the cementite frequently occur in clusters, which points to a common origin of the members of the cluster. For the bands of coarse cementite, the origin is probably large coarse particles formed during the original cooling of the wootz cake. Pearlite formed earlier in the forging process has led to groups of similarly oriented fine cementite particles. The crystallographic texture of the cementite is sharp whereas that of the ferrite is weak. The sharp cementite textures point to the longevity of the coarse cementite throughout the repeated forging steps and to the influence of existing textured cementite on the nucleation of new cementite during cooling.