Modeling the evolution of natural cliffs subject to weathering. 2, Discrete element approach

The evolution of slopes subjected to weathering has been modeled by assuming Mohr-Coulomb behavior and by using a numerical approach based on the discrete element method (DEM). According to this method, soil and/or rock are represented by an assembly of bonded particles. Particle bonds are subject to progressive weakening, and so the material weathering and removal processes are modeled. Slope instability and material movement follow the decrease of material strength in space and time with the only assumption concerning the weathering distribution within the slope. First, the case of cliffs subject to strong erosion (weathering-limited conditions) and uniform weathering was studied to compare the results of the DEM approach with the limit analysis approach. Second, transport-limited slopes subject to nonuniform slope weathering were studied. Results have been compared with experimental data and other geomorphologic models from the literature (Fisher-Lehmann and Bakker–Le Heux). The flux of material from the slope is modeled assuming degradation both in space and time

Molecular dynamics simulation: a tool for exploration and discovery using simple models

Emergent phenomena share the fascinating property of not being obvious consequences of the design of the system in which they appear. This characteristic is no less relevant when attempting to simulate such phenomena, given that the outcome is not always a foregone conclusion. The present survey focuses on several simple model systems that exhibit surprisingly rich emergent behavior, all studied by MD simulation. The examples are taken from the disparate fields of fluid dynamics, granular matter and supramolecular self-assembly. In studies of fluids modeled at the detailed microscopic level using discrete particles, the simulations demonstrate that complex hydrodynamic phenomena in rotating and convecting fluids, the Taylor-Couette and Rayleigh-B\'enard instabilities, can not only be observed within the limited length and time scales accessible to MD, but even quantitative agreement can be achieved. Simulation of highly counterintuitive segregation phenomena in granular mixtures, again using MD methods, but now augmented by forces producing damping and friction, leads to results that resemble experimentally observed axial and radial segregation in the case of a rotating cylinder, and to a novel form of horizontal segregation in a vertically vibrated layer. Finally, when modeling self-assembly processes analogous to the formation of the polyhedral shells that package spherical viruses, simulation of suitably shaped particles reveals the ability to produce complete, error-free assembly, and leads to the important general observation that reversible growth steps contribute to the high yield. While there are limitations to the MD approach, both computational and conceptual, the results offer a tantalizing hint of the kinds of phenomena that can be explored, and what might be discovered when sufficient resources are brought to bear on a problem.Comment: 21 pages, 20 figures (v2 - minor text addition

Characterization of Porous Media and Refractory Materials

Because of its unique advantages on energy savings and casting complex shaper, Lost Foam Casting (LFC) has been widely used as a replacement to the conventional techniques (sand and investment castings). In order to continuously improve the quality of the Lost Foam Casting process for reducing scrap rate and increasing energy savings, the US Department of Energy through its National Industrial Competitiveness through Energy, Environment, and Economics (NICEEE) program sponsored the present study to develop new characterization techniques for enhancing the understanding of the fundamental properties of the refractory materials used in The Lost Foam Casting process. In this study, new techniques are proposed to characterize the refractory materials’ properties such as particle size, particle shape, rheological behavior, transport properties, microstructure, thickness, as well as packing properties. The rheological properties of the refractory coating slurries are characterized by a series of laboratory experiments using a rotational rheometer including the creep and recovery test, the thixotropic loop test, and oscillatory tests. A number of commercial particle sizing instruments based on different theoretical backgrounds are investigated for evaluating a suitable technique for reliable characterization of slurries used in this research. A quantitative approach to characterize particle shape is also investigated for particles in the refractory coating slurry. This study also proposes a new apparatus to evaluate the transport properties and microstructure of the refractory coatings. The proposed interpretation method of measured gas flow data considers the “slippage” and inertia effects that occur in measuring gas permeability of porous materials. The microstructure information obtained from the proposed technique is found to be well correlated with the transport properties of the porous coating materials. A procedure using a three-dimensional computational fluid dynamics code (FLOW3D) is developed to simulate experimental gas flow data for solving complex boundary value problems. This paper also presents a novel coating thickness measurement system for the dry refractory LFC coatings. By comparing a number of commercially available refractory coatings, it is found that the coating thickness on the expandable polystyrene foam patterns is not uniform and depends on the coating type, topography of the foam surface, and coating properties such as surface tension, thixotropic loop area, mean particle size diameter, and viscosity. In this study, the effects of dilution and dispersion on the coating properties such as transport properties and microstructures are also investigated. Results show that the dilution and dispersion have opposing influences on the pore size and transport properties. The pore characterization technique developed in this study is used to determine the effects of drying (oven versus air dry) on the pore size and transport properties. In addition, this study also includes another part of the permeability system, the un-bonded granular materials used in the Lost Foam Casting process. Three types of particle sizing techniques (sieve analysis, Laser Light Scattering and Imaging Analysis) are used to characterize the particle size and shape information of two types of un-bonded granular materials (sand and mullite). A three-dimensional (3-D) computer program is developed to simulate the packing behavior of granular materials at a loose state using a “drop and roll” method. This study provides a systematic characterization of the LFC refractory coating slurries, dried refractory coating, and the granular media. This study also demonstrates the application of proposed characterization techniques for coating quality control using statistical process control charts. In addition, numerical models are also developed to predict the coating performance such as its coating thickness and transport properties. The results from this study are likely to have a significant impact on improving the Lost Foam Casting process. The characterization tools developed in this study are being currently used in a large Lost Foam Casting foundry for improving the process at production scale

Bonded-cell model for particle fracture

Particle degradation and fracture play an important role in natural granular flows and in many applications of granular materials. We analyze the fracture properties of two-dimensional disklike particles modeled as aggregates of rigid cells bonded along their sides by a cohesive Mohr-Coulomb law and simulated by the contact dynamics method. We show that the compressive strength scales with tensile strength between cells but depends also on the friction coefficient and a parameter describing cell shape distribution. The statistical scatter of compressive strength is well described by the Weibull distribution function with a shape parameter varying from 6 to 10 depending on cell shape distribution. We show that this distribution may be understood in terms of percolating critical intercellular contacts. We propose a random-walk model of critical contacts that leads to particle size dependence of the compressive strength in good agreement with our simulation data

Development of lightweight thermal insulation materials for rigid heat shields Final summary report, 25 Jun. 1964 - 25 Sep. 1966

Lightweight ceramic foam for thermal insulation heat shields of launch structure

A New Framework Based on a Discrete Element Method to Model the Fracture Behavior for Brittle Polycrystalline Materials

This work aims to develop and implement a linear elastic grain-level micromechanical model based on the discrete element method using bonded contacts and an improved fracture criteria to capture both intergranular and transgranular microcrack initiation and evolution in polycrystalline ceramics materials. Gaining a better understanding of the underlying mechanics and micromechanics of the fracture process of brittle polycrystalline materials will aid in high performance material design. Continuum mechanics approaches cannot accurately simulate the crack propagation during fracture due to the discontinuous nature of the problem. In this work we distinguish between predominately intergranular failure (along the grain boundaries) versus predominately transgranular failure (across the grains) based on grain orientation and microstructural parameters to describe the contact interfaces and present the first approach at fracturing discrete elements. Specifically, the influence of grain boundary strength and stiffness on the fracture behavior of an idealized ceramic material is studied under three different loading conditions: uniaxial compression, brazilian, and four-point bending. Digital representations of the sample microstructures for the test cases are composed of hexagonal, prismatic, honeycomb-packed grains represented by rigid, discrete elements. The principle of virtual work is used to develop a microscale fracture criteria for brittle polycrystalline materials for tensile, shear, torsional and rolling modes of intergranular motion. The interactions between discrete elements within each grain are governed by traction displacement relationships