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Ensuring Access to Safe and Nutritious Food for All Through the Transformation of Food Systems
Chiral active fluids: Odd viscosity, active turbulence, and directed flows of hydrodynamic microrotors
While the number of publications on rotating active matter has rapidly increased in recent years, studies on purely hydrodynamically interacting rotors on the microscale are still rare, especially from the perspective of particle based hydrodynamic simulations. The work presented here targets to fill this gap. By means of high-performance computer simulations, performed in a highly parallelised fashion on graphics processing units, the dynamics of ensembles of up to 70,000 rotating colloids immersed in an explicit mesoscopic solvent consisting out of up to 30 million fluid particles, are investigated. Some of the results presented in this thesis have been worked out in collaboration with experimentalists, such that the theoretical considerations developed in this thesis are supported by experiments, and vice versa. The studied system, modelled in order to resemble the essential physics of the experimentally realisable system, consists out of rotating magnetic colloidal particles, i.e., (micro-)rotors, rotating in sync to an externally applied magnetic field, where the rotors solely interact via hydrodynamic and steric interactions. Overall, the agreement between simulations and experiments is very good, proving that hydrodynamic interactions play a key role in this and related systems.
While already an isolated rotating colloid is driven out of equilibrium, only collections of two or more rotors have experimentally shown to be able to convert the rotational energy input into translational dynamics in an orbital rotating fashion. The rotating colloids inject circular flows into the fluid, such that detailed balance is broken, and it is not a priori known whether equilibrium properties of colloids can be extended to isolated rotating colloids. A joint theoretical and experimental analysis of isolated, pairs, and small groups of hydrodynamically interacting rotors is given in chapter 2. While the translational dynamics of isolated rotors effectively resemble the dynamics of non-rotating colloids, the orbital rotation of pairs of rotors can be described with leading order hydrodynamics and a two-dimensional analogy of FaxĂ©nâs law is derived.
In chapter 3, a homogeneously distributed ensemble of rotors (bulk) as a realisation of a chiral active fluid is studied and it is explicitly shown computationally and experimentally that it carries odd viscosity. The mutual orbital translation of rotors and an increase of the effective solvent viscosity with rotor density lead to a non-monotonous behaviour of the average translational velocity. Meanwhile, the rotor suspension bears a finite osmotic compressibility resulting from the long-ranged nature of hydrody- namic interactions such that rotational and odd stresses are transmitted through the solvent also at small and intermediate rotor densities. Consequently, density inhomogeneities predicted for chiral active fluids with odd viscosity can be found and allow for an explicit measurement of odd viscosity in simulations and experiments. At intermediate densities, the collective dynamics shows the emergence of multi-scale vortices and chaotic motion which is identified as active turbulence with a self-similar power-law decay in the energy spectrum, showing that the injected energy on the rotor scale is transported to larger scales, similar to the inverse energy cascade of clas- sical two-dimensional turbulence. While either odd viscosity or active turbulence have been reported in chiral active matter previously, the system studied here shows that the emergence of both simultaneously is possible resulting from the osmotic compressibility and hydrodynamic mediation of odd and active stresses. The collective dynamics of colloids rotating out of phase, i.e., where a constant torque instead of a constant angular velocity is applied, is shown to be qualitatively very similar. However, at smaller densities, local density inhomogeneities imply position dependent angular velocities of the rotors resulting from inter-rotor friction.
While the friction of a quasi-2D layer of active colloids with the substrate is often not easily modifiable in experiments, the incorporation of substrate friction into the simulation models typically implies a considerable increase in computational effort. In chapter 4, a very efficient way of incorporating the friction with a substrate into a two-dimensional multiparticle collision dynamics solvent is introduced, allowing for an explicit investigation of the influences of substrate on active dynamics. For the rotor fluid, it is explicitly shown that the influence of the substrate friction results in a cutoff of the hydrodynamic interaction length, such that the maximum size of the formed vortices is controlled by the substrate friction, also resulting in a cutoff in the energy spectrum, because energy is taken out of the system at the respective length. These findings are in agreement with the experiments.
Since active particles in confinement are known to organise in states of collective dynamics, ensembles of rotationally actuated colloids are studied in circular confinement and in the presence of periodic obstacle lattices in chapters 5 and 6, respectively. The results show that the chaotic active turbulent transport of rotors in suspension can be enhanced and guided resulting from edge flows generated at the boundaries, as has recently been reported for a related chiral active system. The consequent collective rotor dynamics can be regarded as a superposition of active turbulent and imposed flows, leading to on average stationary flows. In contrast to the bulk dynamics, the imposed flows inject additional energy into the system on the long length scales, and the same scaling behaviour of the energy spectrum as in bulk is only obtained if the energy injection scales, due to the mutual generation of rotor translational dynamics throughout the system and the edge flows, are well separated. The combination of edge flow and entropic layering at the boundaries leads to oscillating hydrodynamic stresses and consequently to an oscillating vorticity profile. In the presence of odd viscosity, this consequently leads to non-trivial steady-state density modulations at the boundary, resulting from a balance of osmotic pressure and odd stresses.
Relevant for the efficient dispersion and mixing of inert particles on the mesoscale by means of active turbulent mixing powered by rotors, a study of the dynamics of a binary mixture consisting out of rotors and passive particles is presented in chapter 7. Because the rotors are not self-propelled, but the translational dynamics is induced by the surrounding rotors, the passive particles, which do not inject further energy into the system, are transported according to the same mechanism as the rotors. The collective dynamics thus resembles the pure rotor bulk dynamics at the respective density of only rotors. However, since no odd stresses act between the passive particles, only mutual rotor interactions lead to odd stresses leading to the accumulation of rotors in the regions of positive vorticity. This density increase is associated with a pressure increase, which balances the odd stresses acting on the rotors. However, the passive particles are only subject to the accumulation induced pressure increase such that these particles are transported into the areas of low rotor concentration, i.e., the regions of negative vorticity. Under conditions of sustained vortex flow, this results in segregation of both particle types.
Since local symmetry breaking can convert injected rotational into translational energy, microswimmers can be constructed out of rotor materials when a suitable breaking of symmetry is kept in the vicinity of a rotor. One hypothetical realisation, i.e., a coupled rotor pair consisting out of two rotors of opposite angular velocity and of fixed distance, termed a birotor, are studied in chapter 8. The birotor pumps the fluid into one direction and consequently translates into the opposite direction, and creates a flow field reminiscent of a source doublet, or sliplet flow field. Fixed in space the birotor might be an interesting realisation of a microfluidic pump. The trans- lational dynamics of a birotor can be mapped onto the active Brownian particle model for single swimmers. However, due to the hydrodynamic interactions among the rotors, the birotor ensemble dynamics do not show the emergence of stable motility induced clustering. The reason for this is the flow created by birotor in small aggregates which effectively pushes further arriving birotors away from small aggregates, which eventually are all dispersed by thermal fluctuations
Information-Theoretic GAN Compression with Variational Energy-based Model
We propose an information-theoretic knowledge distillation approach for the
compression of generative adversarial networks, which aims to maximize the
mutual information between teacher and student networks via a variational
optimization based on an energy-based model. Because the direct computation of
the mutual information in continuous domains is intractable, our approach
alternatively optimizes the student network by maximizing the variational lower
bound of the mutual information. To achieve a tight lower bound, we introduce
an energy-based model relying on a deep neural network to represent a flexible
variational distribution that deals with high-dimensional images and consider
spatial dependencies between pixels, effectively. Since the proposed method is
a generic optimization algorithm, it can be conveniently incorporated into
arbitrary generative adversarial networks and even dense prediction networks,
e.g., image enhancement models. We demonstrate that the proposed algorithm
achieves outstanding performance in model compression of generative adversarial
networks consistently when combined with several existing models.Comment: Accepted at Neurips202
A study of uncertainty quantification in overparametrized high-dimensional models
Uncertainty quantification is a central challenge in reliable and trustworthy
machine learning. Naive measures such as last-layer scores are well-known to
yield overconfident estimates in the context of overparametrized neural
networks. Several methods, ranging from temperature scaling to different
Bayesian treatments of neural networks, have been proposed to mitigate
overconfidence, most often supported by the numerical observation that they
yield better calibrated uncertainty measures. In this work, we provide a sharp
comparison between popular uncertainty measures for binary classification in a
mathematically tractable model for overparametrized neural networks: the random
features model. We discuss a trade-off between classification accuracy and
calibration, unveiling a double descent like behavior in the calibration curve
of optimally regularized estimators as a function of overparametrization. This
is in contrast with the empirical Bayes method, which we show to be well
calibrated in our setting despite the higher generalization error and
overparametrization
A Decision Support System for Economic Viability and Environmental Impact Assessment of Vertical Farms
Vertical farming (VF) is the practice of growing crops or animals using the vertical dimension via multi-tier racks or vertically inclined surfaces. In this thesis, I focus on the emerging industry of plant-specific VF. Vertical plant farming (VPF) is a promising and relatively novel practice that can be conducted in buildings with environmental control and artificial lighting. However, the nascent sector has experienced challenges in economic viability, standardisation, and environmental sustainability. Practitioners and academics call for a comprehensive financial analysis of VPF, but efforts are stifled by a lack of valid and available data.
A review of economic estimation and horticultural software identifies a need for a decision support system (DSS) that facilitates risk-empowered business planning for vertical farmers. This thesis proposes an open-source DSS framework to evaluate business sustainability through financial risk and environmental impact assessments. Data from the literature, alongside lessons learned from industry practitioners, would be centralised in the proposed DSS using imprecise data techniques. These techniques have been applied in engineering but are seldom used in financial forecasting. This could benefit complex sectors which only have scarce data to predict business viability.
To begin the execution of the DSS framework, VPF practitioners were interviewed using a mixed-methods approach. Learnings from over 19 shuttered and operational VPF projects provide insights into the barriers inhibiting scalability and identifying risks to form a risk taxonomy. Labour was the most commonly reported top challenge. Therefore, research was conducted to explore lean principles to improve productivity.
A probabilistic model representing a spectrum of variables and their associated uncertainty was built according to the DSS framework to evaluate the financial risk for VF projects. This enabled flexible computation without precise production or financial data to improve economic estimation accuracy. The model assessed two VPF cases (one in the UK and another in Japan), demonstrating the first risk and uncertainty quantification of VPF business models in the literature. The results highlighted measures to improve economic viability and the viability of the UK and Japan case.
The environmental impact assessment model was developed, allowing VPF operators to evaluate their carbon footprint compared to traditional agriculture using life-cycle assessment. I explore strategies for net-zero carbon production through sensitivity analysis. Renewable energies, especially solar, geothermal, and tidal power, show promise for reducing the carbon emissions of indoor VPF. Results show that renewably-powered VPF can reduce carbon emissions compared to field-based agriculture when considering the land-use change.
The drivers for DSS adoption have been researched, showing a pathway of compliance and design thinking to overcome the âproblem of implementationâ and enable commercialisation. Further work is suggested to standardise VF equipment, collect benchmarking data, and characterise risks. This work will reduce risk and uncertainty and accelerate the sectorâs emergence
Multiscale Modelling of Self-assembly in Soft Matter
This thesis presents all-atom molecular dynamics simulations and the development of coarse-grained models for various classes of liquid crystals. The overall aim was to parametrise chemically specific models, propagating information between different resolutions through multiscale modelling approaches, to investigate hierarchical self-assembly in soft matter systems. Common coarse-graining methods were assessed in terms of their representability
and transferability for applications involving thermotropic calamitic and discotic mesogens, and lyotropic chromonic liquid crystals.
Extensive all-atom simulations were performed on: bent liquid crystal dimers, such as CB7CB; ionic cyanine dyes in aqueous solution (PIC, PCYN, TTBC and BIC); a chromonic
perylene bisimide dye (PER); and its thermotropic discotic analogue (PEROEG). These serve as references to parametrise/validate lower resolution models and to provide insights into these systems at the molecular level. For CB7CB, the twist-bend nematic (NTB) phase is observed and characterised. The self-assembly of cyanine dyes and chromonic mesogens was studied by calculating , and for the association of -mers (where = 2, 3 or 4). Structures of H-aggregate stacks, with shift and Y junction defects, and J-aggregates with a brickwork arrangement were detected.
Coarse-graining approaches including iterative Boltzmann inversion (IBI), multiscale coarse-graining (MS-CG) in the form of hybrid force matching (FM) and the Martini 3 force field were utilised for the aforementioned systems. A FM model of CB7CB demonstrates high representability and transferability; the NTB phase is captured and the full
phase diagram can be explored via heating or cooling. An optimised Martini model correctly exhibits the chromonic nematic and hexagonal phases for PER at the expected concentrations. For PEROEG, an IBI model was found to be superior in modelling the columnar-hexagonal phase. This thesis discusses, in detail, the successes and failures of
the various coarse-graining strategies. While successful coarse-graining of liquid crystals remains a challenge, this thesis demonstrates that, with the right choice of method,
high-quality coarse-grained models can be developed for both thermotropic and lyotropic systems
Special Topics in Information Technology
This open access book presents thirteen outstanding doctoral dissertations in Information Technology from the Department of Electronics, Information and Bioengineering, Politecnico di Milano, Italy. Information Technology has always been highly interdisciplinary, as many aspects have to be considered in IT systems. The doctoral studies program in IT at Politecnico di Milano emphasizes this interdisciplinary nature, which is becoming more and more important in recent technological advances, in collaborative projects, and in the education of young researchers. Accordingly, the focus of advanced research is on pursuing a rigorous approach to specific research topics starting from a broad background in various areas of Information Technology, especially Computer Science and Engineering, Electronics, Systems and Control, and Telecommunications. Each year, more than 50 PhDs graduate from the program. This book gathers the outcomes of the thirteen best theses defended in 2020-21 and selected for the IT PhD Award. Each of the authors provides a chapter summarizing his/her findings, including an introduction, description of methods, main achievements and future work on the topic. Hence, the book provides a cutting-edge overview of the latest research trends in Information Technology at Politecnico di Milano, presented in an easy-to-read format that will also appeal to non-specialists
Micro-Electro Discharge Machining: Principles, Recent Advancements and Applications
Micro electrical discharge machining (micro-EDM) is a thermo-electric and contactless process most suited for micro-manufacturing and high-precision machining, especially when difficult-to-cut materials, such as super alloys, composites, and electro conductive ceramics, are processed. Many industrial domains exploit this technology to fabricate highly demanding components, such as high-aspect-ratio micro holes for fuel injectors, high-precision molds, and biomedical parts.Moreover, the continuous trend towards miniaturization and high precision functional components boosted the development of control strategies and optimization methodologies specifically suited to address the challenges in micro- and nano-scale fabrication.This Special Issue showcases 12 research papers and a review article focusing on novel methodological developments on several aspects of micro electrical discharge machining: machinability studies of hard materials (TiNi shape memory alloys, Si3N4âTiN ceramic composite, ZrB2-based ceramics reinforced with SiC fibers and whiskers, tungsten-cemented carbide, Ti-6Al-4V alloy, duplex stainless steel, and cubic boron nitride), process optimization adopting different dielectrics or electrodes, characterization of mechanical performance of processed surface, process analysis, and optimization via discharge pulse-type discrimination, hybrid processes, fabrication of molds for inflatable soft microactuators, and implementation of low-cost desktop micro-EDM system
Modeling, Simulation and Data Processing for Additive Manufacturing
Additive manufacturing (AM) or, more commonly, 3D printing is one of the fundamental elements of Industry 4.0. and the fourth industrial revolution. It has shown its potential example in the medical, automotive, aerospace, and spare part sectors. Personal manufacturing, complex and optimized parts, short series manufacturing and local on-demand manufacturing are some of the current benefits. Businesses based on AM have experienced double-digit growth in recent years. Accordingly, we have witnessed considerable efforts in developing processes and materials in terms of speed, costs, and availability. These open up new applications and business case possibilities all the time, which were not previously in existence. Most research has focused on material and AM process development or effort to utilize existing materials and processes for industrial applications. However, improving the understanding and simulation of materials and AM process and understanding the effect of different steps in the AM workflow can increase the performance even more. The best way of benefit of AM is to understand all the steps related to thatâfrom the design and simulation to additive manufacturing and post-processing ending the actual application.The objective of this Special Issue was to provide a forum for researchers and practitioners to exchange their latest achievements and identify critical issues and challenges for future investigations on âModeling, Simulation and Data Processing for Additive Manufacturingâ. The Special Issue consists of 10 original full-length articles on the topic
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