Microstructure and some properties of powder-pack borided Ti–5Mo–5V–8Cr–3Al alloy with special attention to the microstructure at the interface TiB/substrate

The borided layer was prepared on the surface of the Ti–5Mo–5V–8Cr–3Al alloy by powder-pack boriding at 1000°C-10h. SEM, EPMA and TEM were used to investigate the effects of alloying elements (Al, V, Mo and Cr) on the growth of TiB whiskers in the borided Ti–5Mo–5V–8Cr–3Al alloy. Wear properties of borided Ti–5Mo–5V–8Cr–3Al alloy were investigated using dry reciprocating friction tests. SEM results show that the thickness of boride layer in Ti–5Mo–5V–8Cr–3Al alloy is thinner than that in the Cp-Ti. This is attributed to the enrichment of alloying elements especially V in TiB/substrate by TEM, which hinders the diffusion of B atoms, thus resulting in the short and thick TiB whiskers in Ti–5Mo–5V–8Cr–3Al alloy. Borided Ti–5Mo–5V–8Cr–3Al alloy has the better wear resistance than as-received alloy.     

Realizing fragment spawning and fragment growth in the parallelized Discrete Element Method (DEM) during modelling of comminution

The particle based Discrete Element Method (DEM) can be applied to examine comminution processes. In this study, a DEM framework has been extended to model particle breakage without mass loss. After a breakage event occurs, spherical particles, as often considered in the DEM, are replaced by size reduced spherical fragments. During the following time steps, the fragments grow to their desired sizes, so that the mass loss can be counterbalanced. Previously defined overlaps with adjacent unbroken and broken particles (fragments) as well as walls are allowed. The breakage model has been realized in a parallelized DEM framework because comminution processes are often attributed to large numbers of particles and by parallelization the computational time can be reduced efficiently. An oedometer (one-dimensional compression in axial direction of a confined particle bed) has been modelled to investigate the parallelization efficiency and the influence of the permitted overlaps during the growth process on the growth duration. A simplified roller mill has been considered to examine the applicability of the breakage procedure considering parallelization. The results show that parallelization reduces computational time considerably. The breakage procedure is suitable to model comminution processes involving even densely packed particle systems and is superior to existing approaches.     

Ontology-based approach for the provision of simulation knowledge acquired by Data and Text Mining processes

Numerical simulation techniques such as Finite Element Analyses are essential in today's engineering design practices. However, comprehensive knowledge is required for the setup of reliable simulations to verify strength and further product properties. Due to limited capacities, design-accompanying simulations are performed too rarely by experienced simulation engineers. Therefore, product models are not sufficiently verified or the simulations lead to wrong design decisions, if they are applied by less experienced users. This results in belated redesigns of already detailed product models and to highly cost- and time-intensive iterations in product development.Thus, in order to support less experienced simulation users in setting up reliable Finite Element Analyses, a novel ontology-based approach is presented. The knowledge management tools developed on the basis of this approach allow an automated acquisition and target-oriented provision of necessary simulation knowledge. This knowledge is acquired from existing simulation models and text-based documentations from previous product developments by Text and Data Mining. By offering support to less experienced simulation users, the presented approach may finally lead to a more efficient and extensive application of reliable FEA in product development.     

单立柱堆垛机有限元振动分析

针对单立柱堆垛机运行过程中加减速对立柱产生的振动激励问题,以某单立柱堆垛机为研究对象进行有限元振动分析。建立该堆垛机的有限元仿真模型,基于不同加减速策略进行对比分析。分析结果表明,十五段S形加减速策略对单立柱堆垛机的振动激励最小,能够提高堆垛机的定位效率。     

Influences of gallium substitution on the phase stability,mechanical strength and cellular response of β-tricalcium phosphate bioceramics

β-tricalcium phosphate (β-TCP), a well-accepted synthetic bone grafting biomaterial, is confronted with limitations of poor phase stability and lacking the capacity to mediate the biological functions. In the current study, gallium (Ga) was substituted for calcium in the β-TCP, and the influences of Ga substitution on the phase stability, compressive strength and cellular response of β-TCP bioceramics were investigated. The results indicated that substitution of at least 2.5 mol% Ga for calcium prevented the β-TCP from transforming into α-TCP at 1250 °C. The β-TCP bioceramics substituted with 2.5 mol% Ga attained the highest compressive strength. The β-TCP bioceramics substituted with 2.5 and 5 mol% Ga showed good cytocompatibility, and suppressed in vitro osteoclastic activity as well as osteoblastic differentiation. Considering the favorable mechanical strength and the inhibitory effect on the osteoclastic activity, the β-TCP bioceramics substituted with 2.5 mol% Ga are promising for treating the bone defect in the pathological state of excessively rapid bone resorption.     

Anchor plate bearing capacity in flexible mesh facings

This work addresses the problem of the loading capacity of an anchor plate coupled with a steel wire mesh in soil retaining applications. The interaction mechanism between the flexible mesh facing, the underlying soil layer and the plate is studied starting from the results of several laboratory punch tests involving both the plate and the mesh only, and the whole soil-mesh-plate system. The experimental tests have been reproduced by adopting a 3D discrete element model where also the wire mesh is discretized as an assembly of interconnected nodal particles. The interaction between these particles is ruled by elasto-plastic tensile force–displacement laws in which a distortion is introduced in a stochastic manner to account for the wires’ geometrical irregularities. The mesh model is then validated with reference to a set of punch tests in which the shape and size of the punching element as well as the nominal wire diameter were varied. Subsequently, the model is extended to a punch against soil test configuration permitting an insight into the nontrivial local mechanism between the mesh facing and the underlying granular layer. The good agreement between the numerical predictions and the experimental observations at the laboratory scale allowed us to extend the model towards more realistic field conditions for which the role of the mesh panel boundary conditions, the mesh mechanical properties, the soil mechanical properties and the anchor plate geometry is investigated.     

Effect of scandium and zirconium alloying on microstructure and gaseous hydrogen storage properties of YFe3

RM₃ compounds (R = rare earth metals, M = transition metals) have rarely been studied for gaseous hydrogen storage applications because of unfavorable thermodynamics. In this work, the hydrogen storage properties of a single-phase YFe₃ alloy were improved by non-stoichiometric composition and alloying with Sc and Zr. Only the Y_1.1–ySc_yFe₃ (y = 0.22, 0.33) alloys consist of a single rhombohedral phase. The Sc substitution for Y leads to the reduction in the unit cell volume of the YFe₃ phase, and thus significantly increases the dehydriding equilibrium pressure and decreases the dehydrogenation temperature. The alloy Y_0.77Sc_0.33Fe₃ delivers a decomposition enthalpy change of 33.54 kJ/mol and a lowest dehydrogenation temperature of 135 °C, in comparison with 38.99 kJ/mol and 165 °C for the alloy Y_1.1Fe₃. The Zr substitution causes a similar thermodynamic destabilization effect, but the composition and microstructure of Y–Zr–Fe alloys need to be further optimized.     

High-pressure hydrogen storage performances of ZrFe2 based alloys with Mn,Ti, and V addition

The microstructure of ZrFe₂-based alloys were modified by alloying with the Mn, Ti, and V, aiming to obtain proper hydriding/dehydriding plateau features for the high-pressure application. The multi-component ZrFe₂-based alloys show a wide tunable range in the plateau pressure via the interaction of Ti, Mn, and V. Further, the V addition plays the best role to improve the hysteresis in absorption-desorption isotherms, while the proper addition amount Ti helps to realize a low plateau slope as well as a high plateau pressure. Among the investigated alloys, Zr_1.05Fe_1.6Mn_0.4 shows a relatively high dehydriding pressure of 20.58 atm at 298 K, while Zr_1.05Fe_1.7Mn_0.2V_0.1 with C15 structure shows the lowest hysteresis. Overall, too much of Ti and Mn would promote the transformation of the C15 to C14 structure with large hysteresis and low plateau pressure.     

Development of machine learning models to enhance element-doped g-C3N4 photocatalyst for hydrogen production through splitting water

Elemental doping has been widely adopted to enhance the photoactivity of graphitic carbon nitride (g-C₃N₄). Correlating photocatalytic performance with experimental conditions could improve upon the current trial-and-error paradigm, but it remains a formidable challenge. In this study, we have developed machine learning (ML) models to link experimental parameters with hydrogen (H₂) production rate over element-doped graphitic carbon nitride (D-g-C₃N₄). Material synthesis parameters, material properties, and H₂ production conditions are fed to the ML models, and the H₂ production rate is derived as the output. The trained ML models are effective in predicting the H₂ production rate using experimental data, as demonstrated by a satisfactory correlation coefficient for the test data. Sensitivity analysis is performed on input features to elucidate the ambiguous relationship between H₂ production rate and experimental conditions. The ML model can not only identify important features that are well-recognized and widely investigated in the literature, which supports the efficacy of the developed models but also reveals insights on less explored parameters that might also demonstrate significant impacts on photocatalytic performance. The method described in the present study provides valuable insights for the design of elemental doping strategies for g-C₃N₄ to improve the H₂ production rate without conducting time-consuming and expensive experiments. Our models may be used to revolutionize future catalyst design.