Time reversibility of the discrete element method

An algorithm is presented for discrete element method simulations of energy-conserving systems of frictionless, spherical particles in a reversed-time frame. This algorithm is verified, within the limits of round-off error, through implementation in the LAMMPS code. Mechanisms for energy dissipation such as interparticle friction, damping, rotational resistance, particle crushing, or bond breakage cannot be incorporated into this algorithm without causing time irreversibility. This theoretical development is applied to critical-state soil mechanics as an exemplar. It is shown that the convergence of soil samples, which differ only in terms of their initial void ratio, to the same critical state requires the presence of shear forces and frictional dissipation within the soil system.     

Fabrication of Cu/graphite film/Cu sandwich composites with ultrahigh thermal conductivity for thermal management applications

Effective thermal management of electronic integrated devices with high powder density has become a serious issue, which requires materials with high thermal conductivity (TC). In order to solve the problem of weak bonding between graphite and Cu, a novel Cu/graphite film/Cu sandwich composite (Cu/GF/Cu composite) with ultrahigh TC was fabricated by electro-deposition. The micro-riveting structure was introduced to enhance the bonding strength between graphite film and deposited Cu layers by preparing a rectangular array of micro-holes on the graphite film before electro-deposition. TC and mechanical properties of the composites with different graphite volume fractions and current densities were investigated. The results showed that the TC enhancement generated by the micro-riveting structure for Cu/GF/Cu composites at low graphite content was more effective than that at high graphite content, and the strong texture orientation of deposited Cu resulted in high TC. Under the optimizing preparing condition, the highest in-plane TC reached 824.3 W·m⁻¹·K⁻¹, while the ultimate tensile strength of this composite was about four times higher than that of the graphite film.     

Excellent destabilization effect and ideal desorption temperature in the hydride Mg2FeH6 substituted with yttrium; a first principles study

We investigated some properties of the hydride Mg₂FeH₆ substituted with yttrium by a first principles calculation. Some experimental results showed that 4d transition metal, yttrium serves as a good catalyst for magnesium based hydrogen storage alloys, but there are a few theoretical studies about magnesium based hydrides substituted with it. Mg₂FeH₆ is regarded as a cheaper material than pure MgH₂, while it is crystalized into Fm3m structure (space group 225). Although it has high hydrogen storage capacity, many investigations have not been devoted to it due to its extremely high thermodynamic stability. The yttrium substituted Mg₂FeH₆ exhibits very low energy of formation, and its desorption temperature, 75 °C is very suitable for practical hydrogen storage applications. Our results showed that Mg₂FeH₆ is destabilized effectively by yttrium substitution and introducing vacancy defects has additive effect to the improvement of dehydrogenation performance.     

Influence of pores arrangement on stability of photonic structures during sintering

Discrete Element Method (DEM) has been used for numerical investigation of sintering-induced structural deformations occurring in inverse opal photonic structures. The influence of the initial arrangement of template particles on the stability of highly porous inverse opal α-Al₂O₃ structures has been analyzed. The material transport, densification, as well as formation of defects and cracks have been compared for various case studies. Three different stages of defects formation have been distinguished starting with local defects ending with intrapore cracks. The results show that the packing of the template particles defined during the template self-assembly process play a crucial role in the later structural deformation upon thermal exposure. The simulation results are in very good agreement with experimental data obtained from SEM images and previous studies by ptychographic X-ray tomography.     

All-printed and highly stable organic resistive switching device based on graphene quantum dots and polyvinylpyrrolidone composite

We propose all printed and highly stable organic resistive switching device (ORSD) based on graphene quantum dots (G-QDs) and polyvinylpyrrolidone (PVP) composite for non-volatile memory applications. It is fabricated by sandwiching G-QDs/PVP composite between top and bottom silver (Ag) electrodes on a flexible substrate polyethylene terephthalate (PET) at ambient conditions through a cost effective and eco-friendly electro-hydrodynamic (EHD) technique. Thickness of the active layer is measured around 97 nm. The proposed ORSD is fabricated in a 3 × 3 crossbar array. It operates switching between high resistance state (HRS) and low resistance state (LRS) with OFF/ON ratio ∼14 for more than 500 endurance cycles, and retention time for more than 30 days. The switching voltage for set/reset of the devices is ±1.8 V and the bendability down to 8 mm diameter for 1000 cycles are tested. The elemental composition and surface morphology are characterized by XPS, FE-SEM, and microscope.     

Carbon nanotube filter for heavy metal ion adsorption

This study investigated carbon nanotube filtration technology using catalyst particles supported on silicalite-1–biomorphic carbon materials (BCMs). Aqueous solutions of Mn(II), Cu(II), Cr(III), Cd(II), and Pb(II) were used to test the efficiency of heavy metal ions removal. Carbon nanotubes (CNTs) were synthesized and grown on BCMs by the chemical vapor deposition method catalyzed with the catalyst (Co, Fe, and Ni). The synthesized CNTs with Co– and Fe– nanoparticles were typically multi-walled carbon nanotubes, and they showed good crystallinity (I_D/I_G = 1.05) and yield of (11.10 and 8.86) %. The removal efficiency of Mn(II), Cu(II), Cr(III), Cd(II), and Pb(II) ions using Co-catalyzed CNT filter was 97.57%, 98.01%, 97.89%, 97.42%, and 99.99%, respectively.     

Fully coupled LES-DEM of particle interaction and agglomeration in a turbulent channel flow

Coupled large eddy simulation and the discrete element method are applied to study turbulent particle–laden flows, including particle dispersion and agglomeration, in a channel. The particle–particle interaction model is based on the Hertz–Mindlin approach with Johnson–Kendall–Roberts cohesion to allow the simulation of van der Waals forces in a dry air flow. The influence of different particle surface energies, and the impact of fluid turbulence, on agglomeration behaviour are investigated. The agglomeration rate is found to be strongly influenced by the particle surface energy, with a positive relationship observed between the two. Particle agglomeration is found to be enhanced in two separate regions within the channel. First, in the near-wall region due to the high particle concentration there driven by turbophoresis, and secondly in the buffer region where the high turbulence intensity enhances particle–particle interactions.     

Correlation between motion of source bender element and feedback signal induced by self-monitoring

Since the introduction of bender element tests to soil testing, the reliability of the estimated travel time has been the most serious problem. The author has previously shown a potential solution whereby removing the response of the bender element subsystem from the whole response could dramatically improve the accuracy of the travel time estimation. In order to lay the foundation for estimating the response of the bender element subsystem, this paper examines the correlation between the displacements of the element and the induced feedback signals by employing a self-monitoring element. The response of the self-monitoring element is modeled as a transfer function involving two internal transfer functions that relate the input signals to the displacements and the displacements to the feedback signals, respectively. Using a laser displacement sensor, the displacements are directly measured through the entire surface and reveal the three-dimensional bending motion of the element oscillating in both longitudinal and width directions. The feedback signals are similar to, but inconsistent with, the tip displacements, and an attempt is made to correct the feedback signals. Finally, a conclusion is given on the potential for estimating the response of the bender element subsystem using the self-monitoring element.     

A stiffness parameter and truncation error criterion for adaptive path following in structural mechanics

We explore a truncation error criterion to steer adaptive step length refinement and coarsening in incremental-iterative path following procedures, applied to problems in large-deformation structural mechanics. Elaborating on ideas proposed by Bergan and collaborators in the 1970s, we first describe an easily computable scalar stiffness parameter whose sign and rate of change provide reliable information on the local behavior and complexity of the equilibrium path. We then derive a simple scaling law that adaptively adjusts the length of the next step based on the rate of change of the stiffness parameter at previous points on the path. We show that this scaling is equivalent to keeping a local truncation error constant in each step. We demonstrate with numerical examples that our adaptive method follows a path with a significantly reduced number of points compared to an analysis with uniform step length of the same fidelity level. A comparison with Abaqus illustrates that the truncation error criterion effectively concentrates points around the smallest-scale features of the path, which is generally not possible with automatic incrementation solely based on local convergence properties.