The aim of this work is to look into the applicability of Discrete Element Modelling (DEM) coupled to Computational Fluid Dynamics (CFD) to simulate micro-scale colloidal particles immersed in fluid. Numerical methods were implemented through the commercial framework of EDEM2.3. As opposed to dissolved matter, which behaves as a continuum within the fluid medium, particulate matter is made of discrete entities that interact amongst themselves, and with the fluid and any physical boundaries. Particulate matter is ubiquitous in many purification processes that would beneficiate from having an easy way to model particle dynamics immersed in water. In an effort to understand better the dynamics of particle deposition under surface forces and hydraulic forces, a micro-scale numerical model was built adopting both a mechanistic and a statistical approach to represent the forces involved in colloidal suspension. The primary aim of the model was to simulate particle aggregation, deposition and cluster re-suspension in real world micro-systems. Case studies include colloidal flocculation in a constricted tube, and colloidal fouling around membrane filtration feed spacers. This work used a DEM-CFD coupling method that combined the DEM particle flow simulation with hydrodynamics forces from a velocity field computed through CFD. It also implemented boundary-particle and particle-particle interactions by enabling the modelling of surface and interfacial forces. Two kinds of coupling method were considered: two-way and one-way coupling. Two-way coupling is suitable for high particle concentration flow where particle loading affects the hydrodynamics. One-way coupling is suitable for dispersed particle configuration where the flow field is assumed to be undisturbed by the particles. The advantages and drawbacks of both techniques for micron-size particles were investigated. EDEM 2.3 was customised with plug-ins to implement Van der Waals forces and Brownian forces and its post-processing features offered the ability to investigate easily the microparticles behaviour under the influence of fluid forces. In this context, DEM-CFD modelling using EDEM 2.3 represents an improvement on previously published works as it enables higher visibility and reproducibility along with increasing the number of potential users of such modelling. Emphasis was given in presenting original findings and validation results that illustrate DEMCFD applicability, with respect to modelling of hydraulically mediated colloidal surface interaction; while highlighting factors that limit the ability of the technique. For instance, the effect of particle disturbance on the surrounding medium currently proves difficult to model.

Many powders and particulate solids are stored and handled in large quantities across various industries. These solids often encounter handling and storage difficulties that are caused by the material cohesion. The cohesive strength of a bulk material is a function of its past consolidation stress. For example, high material cohesive strength as a result from high storage stresses in a silo can cause ratholing problems during discharge. Therefore, it is essential to consider the stress-history dependence when evaluating such handling behaviour. In recent years the Discrete Element Method (DEM) has been used extensively to study the complex behaviour of granular materials. Whilst extensive DEM studies have been performed on cohesionless solids, much less work exists on modelling of cohesive solids. The commonly used DEM models to model adhesion such as the JKR, DMT and linear cohesion models have been shown to have difficulty in predicting the stress-history dependent behaviour for cohesive solids. DEM modelling of cohesive solid at individual particle level is very challenging. To apply the model at single particle level accurately would require one to determine the model parameters at particle level and consider the enormous complexity of interfacial interaction. Additionally it is computationally prohibitive to model each and every individual particle and cohesion arising from several different phenomena. In this study an adhesive elasto-plastic contact model for the mesoscopic discrete element method (DEM) with three dimensional non-spherical particles is proposed with the aim of achieving quantitative predictions of cohesive powder flowability. Simulations have been performed for uniaxial consolidation followed by unconfined compression to failure using this model. Additionally, the scaling laws necessary to produce scale independent predictions for cohesionless and cohesive solids was also investigated. The influence of DEM input parameters and model implementation have been explored to study the effect of particle (meso-scale) properties on the bulk behaviour in uniaxial test simulation. The DEM model calibration was achieved using the Edinburgh Powder Tester (EPT) – an extended uniaxial tester to measure flowability of bulk solids. The EPT produced highly repeatable flowability measurements and was shown to be a good candidate for DEM model calibration. The implemented contact model has been shown to be capable of predicting the experimental flow function (unconfined compressive strength versus the prior consolidation stress) for a limestone powder which has been selected as a reference solid in the Europe wide PARDEM research network. Contact plasticity in the model is shown to affect the flowability significantly and is thus essential for producing satisfactory computations of the behaviour of a cohesive granular material. The model predicted a linear relationship between a normalized unconfined compressive strength and the product of coordination number and solid fraction. Significantly, it has been found that contribution of adhesive force to the limiting friction has a significant effect on bulk unconfined strength. Failure to include the adhesive contribution in the calculation of the frictional resistance may lead to under-prediction of unconfined strength and incorrect failure mode. The results provide new insights and propose a micromechanical based measure for characterising the strength and flowability of cohesive granular materials. Scaling of DEM input parameters in a 3D simulation of the loading regimes in a uniaxial test indicated that whilst both normal and tangential contact stiffness (loading, unloading, and load dependent) scales linearly with radius of the particle, the adhesive forces scales with the square of the radius of the particles. This is a first step towards a mesoscopic representation of a cohesive powder that is phenomenological based to produce the key bulk characteristics of a granular solid and the results indicate that it has potential to gain considerable computational advantage for large scale DEM simulations. The contact model parameters explored include particle contact normal loading stiffness, tangential stiffness, and contact friction coefficient. The DEM model implementation parameters included numerical time step, strain rate, and boundary condition. Many useful observations have been made with significant implications for the relative importance of the DEM input parameters. Finally the calibration procedure was applied to a spray dried detergent powder and the simulation results are compared to whole spectrum of loading regime in a uniaxial experiment. The experimental and simulation results were found to be in reasonable agreement for the flow function and compression behaviour.

Across industry the majority of raw materials handled are particulate in nature, ranging in size and properties from aggregates to powders. The stress regimes experienced by the granular solids vary and the exhibited bulk behaviours can be complex and unexpected. The prevalence of granular solids makes them an area of interest for industry and researchers alike as many challenges still remain, such as dealing with complex cohesive behaviour in materials, which often gives rise to handling difficulties. Storage and transportation are an important part of the process chain for industries where particulate solids are commonplace. Failure to properly account for the cohesive nature of a particulate solid can be costly as it can easily lead to blockages in a silo such as ratholing or arching near the outlet during discharge. The cohesive strength of a bulk material depends on the consolidation stress it has experienced. As a result, the stress history in the material leading up to a handling scenario needs to be considered when evaluating its handling behaviour. The Discrete Element Method (DEM) has been extensively used to simulate the behaviour of granular materials, however the majority of the focus has been on noncohesive systems. For cohesive solids, it is crucial that the stress history dependent behaviour is adequately captured. Many of the contact models commonly used in DEM simulations to simulate cohesive granular materials such as the JKR model or liquid bridge models are elastic in nature and may not capture the stress history dependent behaviour observed in cohesive particulate solids. A comprehensive study on the effect of cohesion arising from the addition of moisture on the behaviour of two types of LKAB iron ore fines (KPBO and KPRS) has been carried out. The addition of moisture to the sample has been found to have a significant effect on both kinds of fines. KPRS fines were found to have a much higher unconfined strength and flow function at higher moisture contents, and also show a greater increase in cohesion with the addition of moisture, while at moisture contents of less than 2% the KPBO fines demonstrate higher unconfined yield strength. The KPBO fines were also found to achieve a significantly looser initial packing at much lower moisture content when compared to the KPRS fines. The lateral pressure ratio has also been evaluated. In this study a mesoscopic adhesive contact model that accounts for contact plasticity and stress history dependency in the bulk solid, the Edinburgh Elasto-Plastic Adhesion (EEPA) mode, has been presented and mathematically verified. A parametric study of the DEM contact model parameters was conducted to gain a deeper understating of the effect of input parameters on the simulated cohesive bulk behaviour. The EEPA contact model has been used to predict an experimental flow function of KPRS iron ore fines. The contact model has demonstrated the ability to capture the stress history dependent behaviour that exists in cohesive granular solids. The DEM simulations provide a very close match to the experimental flow functions, with the predicted unconfined strengths found to be within the standard deviations of the experimental results. Investigations into the failure mode predicted by the DEM simulations show that the samples are failing from the development of shear planes similar to those observed experimentally. The effect of increasing levels of adhesion has been explored for a flat bottomed silo where the level of adhesion has been varied. The DEM simulations were found to capture the major phenomena occurring in silo discharge including the various flow zones associated with a flat bottomed silo. Funnel flow, the effective transition and mass flow which are associated with a mixed flow pattern were observed in the model silo. The location of the effective transition height was identified: above this was mass flow. The velocity determined from the discharge rate was found to be in excellent agreement with the velocity profiles found in the zones of mass flow. A high velocity core flow zone was observed above the outlet where velocities were greater than 1.25 times the mass flow velocity, VMF. The level of adhesion in the silo was found to affect the discharge rate - a reduced flow rate was found until the eventual blockage of the silo at a high level of adhesion was found. As the level of adhesion increased the probability of arching also increased, and the formation of intermittent arching behaviour was noted in the cases with higher levels of adhesion in the system. The development of both temporary and permanent cohesive arches over the silo outlet were also observed with stopped flow from the silo.

This thesis presents a new bonded particle model that accurately predicts the wideranging behaviour of cementitious materials. There is an increasing use of the Discrete Element Method (DEM) to study the behaviour of cementitious materials such as concrete and rock; the chief advantage of the DEM over continuum-based techniques is that it does not predetermine where cracking and fragmentation initiate and propagate, since the system is naturally discontinuous. The DEM’s ability to produce realistic representations of cementitious materials depends largely on the implementation of an inter-particle bonded-contact model. A new bonded-contact model is proposed, based on the Timoshenko beam theory which considers axial, shear and bending behaviour of inter-particle bonds. The developed model was implemented in the commercial EDEM code, in which a thorough verification procedure was conducted. A full parametric study then considered the uni-axial loading of a concrete cylinder; the influence of the input parameters on the bulk response was used to produce a calibrated model that has been shown to be capable of producing realistic predictions of a wide range of behaviour seen in cementitious materials. The model provides useful insights into the microscopic phenomena that result in the bulk loading responses observed for cementitious materials such as concrete. The new model was used to simulate the loading of a number of deformable structural elements including beams, frames, plates and rings; the numerical results produced by the model provided a close match to theoretical solutions.

Thesis (MScEng)--Stellenbosch University, 2013. / ENGLISH ABSTRACT: Production of graphite dust inside the Pebble Bed Modular Reactor (PBMR) influences the reactor operation negatively. Graphite is used as a moderator in the reactor core and the formation and transportation of graphite dust away from the reactor core decreases the amount of moderator which in turn has a negative impact on the reactor operation. High levels of radioactive dust may also contaminate reactor components which may pose a health risk to maintenance personnel. In this study a pressure vessel was designed and used to measure the wear of a graphite pebble in helium at elevated temperatures. By means of a multi-linear regression analysis a proper mathematical function was established in order to relate graphite wear to certain tribological parameters. These parameters were identified through a literature study. Discrete Element Modelling (DEM) was used to simulate the gravitational flow of graphite pebbles through the reactor core. The experimentally determined mathematical function was incorporated into the DEM simulation to estimate the annual mass of graphite dust to be produced by the PBMR pebble bed as a result of pebble-pebble interaction and pebble-wall interaction during refuelling. / AFRIKAANSE OPSOMMING: Die vorming van grafiet stof binne die korrelbed-modulêre reaktor (PBMR) beïnvloed die werking daarvan negatief. Grafiet word gebruik as 'n moderator in die reaktor kern en die vorming en vervoer van grafietstof weg van die reaktor kern lei tot 'n afname in die hoeveelheid moderator en dit het 'n negatiewe impak op die werking van die reaktor. Hoë vlakke van radioaktiewe grafietstof kontamineer ook reaktorkomponente wat 'n gesondheidsrisiko vir onderhoudspersoneel inhou. In hierdie studie was 'n drukvat ontwerp en gebruik om die slytasie van 'n grafietkorrel in helium by verhoogde temperature te meet. 'n Multi-lineêre regressie analise is dan gebruik om 'n wiskundige funksie daar te stel wat die verband tussen grafietslytasie en die eksperimentele parameters vas stel. Hierdie parameters was met behulp van 'n literatuurstudie geïdentifiseer. Diskrete Element Modellering (DEM) was gebruik om die gravitasionele vloei van grafietkorrels in die reaktor te modelleer. Die eksperimenteel bepaalde wiskundige funksie word in die DEM simulasie ge-inkorporeer om 'n skatting te maak van die jaarlikse massa grafietstof wat gevorm sal word in die PBMR korrelbed as 'n gevolg van korrel-korrel interaksie en korrel-wand interaksie gedurende hersirkulasie.

This thesis presents a computational framework that models the coupled behavior between sand deposits and their surrounding fluid. Particle deposits that form in gas turbine engines and industrial burners, can change flow dynamics and heat transfer, leading to performance degradation and impacting durability. The proposed coupled framework allows insight into the coupled behavior of sand deposits at high temperatures with the flow, which has not been available previously. The coupling is done by using a CFD-DEM framework in which a physics based collision model is used to predict the post-collision state-of-the-sand-particle. The collision model is sensitive to temperature dependent material properties of sand. Particle deposition is determined by the particle's softening temperature and the calculated coefficient of restitution of the collision. The multiphase treatment facilitates conduction through the porous deposit and the coupling between the deposit and the fluid field. The coupled framework was first used to model the behavior of softened sand particles in a laminar impinging jet flow field. The temperature of the jet and the impact surface were varied(T^* = 1000 – 1600 K), to observe particle behavior under different temperature conditions. The Reynolds number(Rejet = 20, 75, 100) and particle Stokes numbers (Stp = 0.53, 0.85, 2.66, 3.19) were also varied to observe any effects the particles' responsiveness had on deposition and the flow field. The coupled framework was found to increase or decrease capture efficiency, when compared to an uncoupled simulation, by as much as 10% depending on the temperature field. Deposits that formed on the impact surface, using the coupled framework, altered the velocity field by as much as 130% but had a limited effect on the temperature field. Simulations were also done that looked at the formation of an equilibrium deposit when a cold jet impinged on a relatively hotter surface, under continuous particle injection. An equilibrium deposit was found to form as deposited particles created a heat barrier on the high temperature surface, limiting more particle deposition. However, due to the transient nature of the system, the deposit temperature increased once deposition was halted. Further particle injection was not performed, but it can be predicted that the formed deposit would begin to grow again. Additionally, a Large-Eddy Simulation (LES) simulation, with the inclusion of the Smagorinsky subgrid model, was performed to observe particle deposition in a turbulent flow field. Deposition of sand particles was observed as a turbulent jet (Re jet=23000,T_jet^*= 1200 K) impinged on a hotter surface(T_surf^*= 1600 K). Differences between the simulated flow field and relevant experiments were attributed to differing jet exit conditions and impact surface thermal conditions. The deposit was not substantive enough to have a significant effect on the flow field. With no difference in the flow field, no difference was found in the capture efficiency between the coupled and decoupled frameworks. / Master of Science

Thesis (MEng)--University of Stellenbosch, 2000. / ENGLISH ABSTRACT: The main goal of the thesis is to validate the ability of discrete element methods (DEM) to predict forced granular flow. Granular flow occurs in a broad spectrum of industrial applications. The thesis focuses on earthmoving processes typical of the mining and agricultural industries. Existing soil mechanics soil-tool models are also investigated and general flow behaviour in and around blades and buckets are established. Soil mechanics theories are used to predict the draft forces on a flat blade moving through granular material. Com and wheat grains are used as material. The rupture (slip) lines in front of the blade are predicted by soil mechanics and compared to experimental results. A two-dimensional test bench is used to visualise the flow of the granular material. Forces and moments that act on the tools are measured. DEM can be used to model industrial granular flow with large displacements. Two types of earthmoving equipment are simulated. The first is a flat blade and the second is a bucket. The forces on these tools are determined using DEM and compared to experimental results. The ability of DEM to predict material compressibility, the flow of material in and around the tools, the rupture lines and the bucket fill rate are investigated. A particle relative displacement method is used to determine the rupture lines. / AFRIKAANSE OPSOMMING: Die hoofdoel van die tesis is om die vermoë van diskrete-element-metodes (DEM) om geforseerde partikelvloei te voorspel, te ondersoek. Partikelvloei word aangetref in 'n breë spektrum van industriële toepassings. Die tesis fokus op grondverskuiwing soos aangetref in myn- en landbouprosesse. Bestaande grondmeganika-modelle word ook ondersoek, asook die algemene gedrag van partikelvloei in en rondom lemme en bakke. Die grondmeganika-modelle word hoofsaaklik gebruik om die kragte op lemme te voorspel. Glip (skuif)-vlakke word ondersoek en vergelyk met eksperimentele resultate. 'n Twee-dimensionele toetsbank word gebruik om die vloei waar te neem. Die kragte en momente op die toerusting word ook gemeet. Mielie- en koringpitte word as materiaal gebruik. DEM kan gebruik word om industriële partikelvloei met groot verplasings te modelleer. Twee tipes toerusting word gesimuleer. Die eerste is 'n plat lem en die tweede 'n bak. Die kragte en momente op dié toerusting word bepaal m.b.V. DEM en dan vergelyk met die eksperimentele resultate. Die vermoë van DEM om materiaalsamedrukking, vloeipatrone, glipvlakke en bakvul-tempo's te voorspel word ondersoek. 'n Partikelrelatiewe- verplasings-metode word gebruik om die glipvlakke te voorspel.

Cette thèse porte sur le problème fondamental du mottage des poudres suite aux mécanismes de transition de phase. Le projet vise à étudier l'impact des facteurs intrinsèques (structure moléculaire des matériaux, propriétés physiques et/ou physicochimiques, etc.) ou des facteurs environnementaux (conditions de stockage ou paramètres de procédé) sur la stabilité de la structure des poudres. Plus précisément, notre étude a mis en évidence le rôle prépondérant du phénomène de cristallisation et des transitions entre les différents polymorphes du lactose. L'accent a été mis sur le rôle des phénomènes de cristallisation et de la transition de phase dans l'apparition du mottage des poudres de lactose. Deux cas ont particulièrement retenu notre attention: (1) des poudres de lactose monohydrate contenant une fraction de particules amorphes et (2) des échantillons de poudre anhydre composés des anomères α et β du lactose. Dans les deux cas, le mottage a été induite par l'exposition des échantillons à l'air humide, soit dans un dispositif de sorption dynamique de vapeur (SPS), soit par des tests accélérés utilisant deux appareils conçus et réalisés dans notre laboratoire (CLAIR & OLAF). Nos résultats ont montré que, dans les deux cas, la principale cause de prise en masse était la formation de lactose monohydrate, qui est la forme la plus stable parmi tous les polymorphes de lactose. Cependant, les mécanismes élémentaires, les étapes limites et la cinétique du processus de transformation étaient différents dans chaque cas. Les paramètres les plus déterminants étaient l’humidité relative et la température alors que la pression n’a pas eu d’effet significatif. La résistance mécanique des échantillons mottés était étroitement liée au taux et à la cinétique de cristallisation. Enfin, des simulations numériques basées sur la méthode des éléments discrets (DEM) de la résistance mécanique des échantillons mottés ont été réalisées. Le modèle permet de décrire le comportement des échantillons mottés soumis à des contraintes mécaniques de compression ou de traction. / This PhD study focuses on the fundamental problem of powder caking due to phase transition mechanisms. The project aims to study the impact of intrinsic factors (molecular structure of materials, physical and/or physicochemical properties, etc.) or environmental factors (storage conditions or process parameters) on the stability of the structure of powders. More precisely, our study has highlighted the preponderant role of the crystallization phenomenon and the transitions taking place between the different polymorphs of lactose. Emphasis was placed on the role of crystallization phenomena and phase transition on the advent of lactose powder caking. Two cases attracted particular attention: (1) lactose monohydrate powders containing a fraction of amorphous particles and (2) anhydrous powder samples composed of ð and anomers of lactose. In both cases, the caking was induced by exposure of the samples to moist air, either in a Dynamic Vapor Sorption device (SPS) or in accelerated caking tests using two home-made equipment (CLAIR & OLAF). Our results showed that in both cases, the main cause of caking was the formation of lactose monohydrate, which is the most stable form among all lactose polymorphs. However, the elementary mechanisms, the limiting steps and the kinetics of the transformation process were different in each case. The more influencing parameters were the relative humidity and the temperature whereas the pressure has no significant effect. The yield stress of caked samples was closely linked with crystallization extent and kinetics. Finally, numerical simulations based on Discrete Element Method (DEM) of mechanical resistance of caked samples were performed using the "beam model". The model allows describing the behavior of the caked samples subjected to compressive or tractive mechanical stresses.

Le formage de matériaux multiphasés comprend des mécanismes complexes en lien avec la rhéologie,la morphologie et la topologie des phases.Du point de vue numérique,la modélisation de ces phénomènes en résolvant les équations aux dérivées partielles (EDP) décrivant le comportement continu des phases n'est pas trivial.En effet,de nombreuses discontinuités associées aux phases se déplacent et peuvent interagir.Ces phénomènes peuvent être conceptuellement déclicats à intégrer au modèlecontinu et coûteux en termes de calcul.Dans cette thèse,la méthode des éléments discrets (DEM) est utilisée pour modéliser phénoménologiquement les déformations finies inélastiques dans les multi-matériaux.Les lois d'interactions attractive-répulsive sont imposées à des particules fictives,dont les ré-arrangements collectifs modélisent les déformations irréversibles de milieux continus.Le comportement numérique des empilements de particules est choisi pourreproduire des traits caractéristiques de la viscoplasticité parfaite etisochore:contrainte d'écoulement,sensibilité à la vitesse de déformation,conservation du volume.Les résultats d'essais de compression de bi-matériaux simples,simulés avec la DEM,sont comparés à la méthode des éléments finis (FEM) et sont en bon accord.Le modèle est entendu pour pouvoir supporter des sollicitations de traction.Une méthode de détection de contacts et d'auto-contacts d'objets physiques estproposée,basée sur l'approximation locale des surfaces libres.Les capacités de la méthodologie globale sont testées sur des mésostructurescomplexes,obtenues par tomographie aux rayons X.La compression à chaud d'un composite métallique dense est modélisée.La co-déformation peut être observées à l'échelle spatiale des phases.Deux cas de matériaux ``poreux'' sont considérés.Premièrement la simulation de la compression puis traction d'alliagesd'aluminium présentant des pores.Ces pores proviennent du coulage du matériau,leur fermeture et ré-ouverture mécanique est modélisée,y compris la coalescence à grande déformation.Deuxièmement la simulation de la compression de mousse métallique de faibledensité.Typiquement utilisée dans le but d'absorber de l'énergie mécanique,la compression jusqu'à densification provoque de nombreuses interactions entreles bras de matière. / Forming of multiphase materials involves complex mechanisms linked with therheology,morphology and topology of the phases.From a numerical point of view,modeling such phenomena by solving the partial differential equation (PDE) system accounting for thecontinuous behavior of the phases can be challenging.The description of the motion and the interaction of numerous discontinuities,associated with the phases,can be conceptually delicate and computationally costly.In this PhD,the discrete element method (DEM) is used to phenomenologically model finite inelastic strain inmulti-materials.This framework,natively suited for discrete phenomena,allows a flexible handling of morphological and topological changes.Ad hoc attractive-repulsive interaction laws are designed betweenfictitious particles,collectively rearranging to model irreversible strain in continuous media.The numerical behavior of a packing of particles can be tuned to mimic keyfeatures of isochoric perfect viscoplasticity:flow stress, strain rate sensitivity, volume conservation.The results for compression tests of simple bi-material configurations,simulated with the DEM,are compared to the finite element method (FEM) and show good agreement.The model is extended to cope with tensile loads.A method for the detection of contact and self-contact events of physicalobjects is proposed,based on a local approximation of the free surfaces.The potential of the general methodology is tested on complex mesostructuresobtained by X-ray tomography.The high temperature compression of a dense metallic composite is modeled.The co-deformation can be observed at the length scale of the phases.Two cases of ``porous'' material are considered.Firstly,the simulation of the compression and the tension of aluminum alloys with poresis investigated.These pores stem from the casting of the material,their closure and re-opening is modeled,including the potential coalescence occurring at large strain.Secondly,the compression of a metallic foam,with low relative density,is modeled.Typically used in energy absorption applications,the compression up to densification involves numerous interactions between thearms.

While tribology involves the study of friction, wear, and lubrication of interacting surfaces, the tribosurfaces are the pair of surfaces in sliding contact with a fluid (or particulate) media between them. The ubiquitous nature of tribology is evident from the usage of its principles in all aspects of life, such as the friction promoting behavior of shoes on slippery water-lubricated walkways and tires on roadways to the wear of fingernails during filing or engine walls during operations. These tribosurface interfaces, due to the small length scales, are difficult to model for contact mechanics, fluid mechanics and particle dynamics, be it via theory, experiments or computations. Also, there is no simple constitutive law for a tribosurface with a particulate media. Thus, when trying to model such a tribosurface, there is a need to calibrate the particulate media against one or more property characterizing experiments. Such a calibrated media, which is the “virtual avatar” of the real particulate media, can then be used to provide predictions about its behavior in engineering applications. This thesis proposes and attempts to validate an approach that leverages experiments and modeling, which comprises of physics-based modeling and machine learning enabled surrogate modeling, to study particulate media in two key particle matrix industries: metal powder-bed additive manufacturing (in Part II), and energy resource rock drilling (in Part III). The physics-based modeling framework developed in this thesis is called the Particle-Surface Tribology Analysis Code (P-STAC) and has the physics of particle dynamics, fluid mechanics and particle-fluid-structure interaction. The Computational Particle Dynamics (CPD) is solved by using the industry standard Discrete Element Method (DEM) and the Computational Fluid Dynamics (CFD) is solved by using finite difference discretization scheme based on Chorin's projection method and staggered grids. Particle-structure interactions are accounted for by using a state-of-the art Particle Tessellated Surface Interaction Scheme and the fluid-structure interaction is accounted for by using the Immersed Boundary Method (IBM). Surrogate modeling is carried out using back propagation neural network. The tribosurface interactions encountered during the spreading step of the powder-bed additive manufacturing (AM) process which involve a sliding spreader (rolling and sliding for a roller) and particulate media consisting of metal AM powder, have been studied in Part II. To understand the constitutive behavior of metal AM powders, detailed rheometry experiments have been conducted in Chapter 5. CPD module of P-STAC is used to simulate the rheometry of an industry grade AM powder (100-250microns Ti-6Al-4V), to determine a calibrated virtual avatar of the real AM powder (Chapter 6). This monodispersed virtual avatar is used to perform virtual spreading on smooth and rough substrates in Chapter 7. The effect of polydispersity in DEM modeling is studied in Chapter 8. A polydispersed virtual avatar of the aforementioned AM powder has been observed to provide better validation against single layer spreading experiments than the monodispersed virtual avatar. This experimentally validated polydispersed virtual avatar has been used to perform a battery of spreading simulations covering the range of spreader speeds. Then a machine learning enabled surrogate model, using back propagation neural network, has been trained to study the spreading results generated by P-STAC and provide much more data by performing regression. This surrogate model is used to generate spreading process maps linking the 3D printer inputs of spreader speeds to spread layer properties of roughness and porosity. Such maps (Chapters 7 and 8) can be used by a 3D-printer technician to determine the spreader speed setting which corresponds to the desired spread layer properties and has the maximum spread throughout. The tribosurface interactions encountered during the drilling of energy resource rocks which involve a rotary and impacting contact of the drill bit with the rock formation in the presence of drilling fluids have been studied in Part III. This problem involves sliding surfaces with fluid (drilling mud) and particulate media (intact and drilled rock particles). Again, like the AM powder, the particulate media, viz. the rock formation being drilled into, does not have a simple and a well-defined constitutive law. An index test detailed in ASTM D 5731 can be used as a characterization test while trying to model a rock using bonded particle DEM. A model to generate weak concrete-like virtual rock which can be considered to be a mathematical representation of a sandstone has been introduced in Chapter 10. Benchtop drilling experiments have been carried out on two sandstones (Castlegate sandstone from the energy rich state of Texas and Crab Orchard sandstone from Tennessee) in Chapter 11. Virtual drilling has been carried out on the aforementioned weak concrete-like virtual rock. The rate of penetration (RoP) of the drill bit has been found to be directly proportional to the weight on bit (WoB). The drilling in dry conditions resulted in a higher RoP than the one which involved the use of water as the drilling fluid. P-SATC with the bonded DEM and CFD modules was able to predict both these findings but only qualitatively (Chapter 11)