Dynamics and Topology of Flexible Chains: Knots in Steady Shear Flows

We use numerical simulations of a bead-spring model chain to investigate the evolution of the conformation of long and flexible elastic fibers in a steady shear flow. In particular, for rather open initial configurations, and by varying a dimensionless elastic parameter, we identify two distinct conformational modes with different final size, shape, and orientation. Through further analysis we identify slipknots in the chain. Finally, we provide examples of initial configurations of an "open" trefoil knot that the flow unknots and then knots again, sometimes repeating several times. These changes in topology should be reflected in changes in bulk rheological and/or transport properties.Comment: 22 pages, 12 figure

Extracting physical chemistry from mechanics: a new approach to investigate DNA interactions with drugs and proteins in single molecule experiments

In this review we focus on the idea of establishing connections between the mechanical properties of DNAligand complexes and the physical chemistry of DNA-ligand interactions. This type of connection is interesting because it opens the possibility of performing a robust characterization of such interactions by using only one experimental technique: single molecule stretching. Furthermore, it also opens new possibilities in comparing results obtained by very different approaches, in special when comparing single molecule techniques to ensemble-averaging techniques. We start the manuscript reviewing important concepts of the DNA mechanics, from the basic mechanical properties to the Worm-Like Chain model. Next we review the basic concepts of the physical chemistry of DNA-ligand interactions, revisiting the most important models used to analyze the binding data and discussing their binding isotherms. Then, we discuss the basic features of the single molecule techniques most used to stretch the DNA-ligand complexes and to obtain force x extension data, from which the mechanical properties of the complexes can be determined. We also discuss the characteristics of the main types of interactions that can occur between DNA and ligands, from covalent binding to simple electrostatic driven interactions. Finally, we present a historical survey on the attempts to connect mechanics to physical chemistry for DNA-ligand systems, emphasizing a recently developed fitting approach useful to connect the persistence length of the DNA-ligand complexes to the physicochemical properties of the interaction. Such approach in principle can be used for any type of ligand, from drugs to proteins, even if multiple binding modes are present

An Efficient Pipeline to Obtain 3D Model for HBIM and Structural Analysis Purposes from 3D Point Clouds

The aim of this work is to identify an efficient pipeline in order to build HBIM (heritage building information modelling) and create digital models to be used in structural analysis. To build accurate 3D models it is first necessary to perform a geomatics survey. This means performing a survey with active or passive sensors and, subsequently, accomplishing adequate post-processing of the data. In this way, it is possible to obtain a 3D point cloud of the structure under investigation. The next step, known as "scan-to-BIM (building information modelling)", has led to the creation of an appropriate methodology that involved the use of Rhinoceros software and a few tools developed within this environment. Once the 3D model is obtained, the last step is the implementation of the structure in FEM (finite element method) and/or in HBIM software. In this paper, two case studies involving structures belonging to the cultural heritage (CH) environment are analysed: a historical church and a masonry bridge. In particular, for both case studies, the different phases were described involving the construction of the point cloud and, subsequently, the construction of a 3D model. This model is suitable both for structural analysis and for the parameterization of rheological and geometric information of each single element of the structure

Developing a parametric system for pointe shoe customization

A Pointe Shoe is worn by ballet dancers while performing “en pointe”. This fundamental ballet technique, which is performed by rising to the tips of the toes, enables dancers to create the illusion of incredible lightness and sylph-like appearance. However, pointe work causes pain, blisters, calluses, and disfigurement of the feet. Dancers, pointe shoe fitters, and podiatrists agree that finding Pointe Shoes which fit correctly and adjust throughout your career could help to avoid feet injuries. The different parts of the shoe require different performance, depending on the different parts of the foot. Each dancer has particular feet, with variations of toe length and shape, arch flexibility, and mechanical strength. Instead of having the dancer’s feet adjusted on the point shoes, the idea is to have the shoes, uniquely ‘adapt’ according to the morphology of the feet. The foot is not just a passive weight-bearer, it must assume positions and execute movements beyond its normal limits. Therefore, the parameters to take in account are classified in anatomical, mechanical, assembly and material. From the study, it is deduced that the above parameters may be the key to define a proposal for a solution to the design of Pointe shoe.Las puntas se usan durante la actuación "en pointe". Esta fundamental técnica de ballet, que se realiza levantándose a los dedos del pie, permite a los bailarines, crear la ilusión de una ligereza increíble y el aspecto de sílfide. Sin embargo, bailando en puntas causa dolor, ampollas, callos, y desfiguración de pies, comúnmente conocida entre los bailarines. Estas heridas pueden evitarse si los pies están mejor soportados. Bailarines, zapateros de punta, y podólogos están de acuerdo en que tener las zapatillas de punta que se adaptan y ajustan correctamente, a lo largo de carrera podrían ayudar a evitar las heridas en los pies. Cada bailarín tiene los pies únicos, con las variaciones de longitud de los dedos del pie y de su forma, la flexibilidad del arco, y la resistencia mecánica. En lugar de ajustar los pies del bailarín en las zapatillas de puntas, la idea es diseñar zapatos, que pueden "adaptarse" en forma única, según la morfología de los pies y también de la fuerza de los bailarines. El pie no es solo un portador pasivo de peso, debe asumir posiciones y ejecutar movimientos más allá de sus límites normales. Por tanto, los parámetros a tener en cuenta se clasifican en anatómicos, mecánicos, de montaje y material. Del estudio se deduce que los parámetros anteriores pueden ser la clave para definir una propuesta de solución al diseño de Pointe.Postprint (published version

Origami surfaces for kinetic architecture

This thesis departs from the conviction that spaces that can change their formal configuration through movement may endow buildings of bigger versatility. Through kinetic architecture may be possible to generate adaptable buildings able to respond to different functional solicitations in terms of the used spaces. The research proposes the exploration of rigidly folding origami surfaces as the means to materialize reconfigurable spaces through motion. This specific kind of tessellated surfaces are the result of the transformation of a flat element, without any special structural skill, into a self-supporting element through folds in the material, which gives them the aptitude to undertake various configurations depending on the crease pattern design and welldefined rules for folding according to rigid kinematics. The research follows a methodology based on multidisciplinary, practical experiments supported on digital tools for formal exploration and simulation. The developed experiments allow to propose a workflow, from concept to fabrication, of kinetic structures made through rigidly folding regular origami surfaces. The workflow is a step-by-step process that allows to take a logical path which passes through the main involved areas, namely origami geometry and parameterization, materials and digital fabrication and mechanisms and control. The investigation demonstrates that rigidly folding origami surfaces can be used as dynamic structures to materialize reconfigurable spaces at different scales and also that the use of pantographic systems as a mechanism associated to specific parts of the origami surface permits the achievement of synchronized motion and possibility of locking the structure at specific stages of the folding.A presente tese parte da convicção de que os espaços que são capazes de mudar a sua configuração formal através de movimento podem dotar os edifícios de maior versatilidade. Através da arquitectura cinética pode ser possível a geração de edifícios adaptáveis, capazes de responder a diferentes solicitações funcionais, em termos do espaço utilizado. Esta investigação propõe a exploração de superfícies de origami, dobráveis de forma rígida, como meio de materialização de espaços reconfiguráveis através de movimento. Este tipo de superfícies tesseladas são o resultado da transformação de um elemento plano, sem capacidade estrutural que, através de dobras no material, ganha propriedades de auto-suporte. Dependendo do padrão de dobragem e segundo regras de dobragem bem definidas de acordo com uma cinemática rígida, a superfície ganha a capacidade de assumir diferentes configurações. A investigação segue uma metodologia baseada em experiências práticas e multidisciplinares apoiada em ferramentas digitais para a exploração formal e simulação. Através das experiências desenvolvidas é proposto um processo de trabalho, desde a conceptualização à construção, de estruturas cinéticas baseadas em superfícies dobráveis de origami rígido de padrão regular. O processo de trabalho proposto corresponde a um procedimento passo-apasso que permite seguir um percurso lógico que atravessa as principais áreas envolvidas, nomeadamente geometria do origami e parametrização, materiais e fabricação digital e ainda mecanismos e controle. A dissertação demonstra que as superfícies de origami dobradas de forma rígida podem ser utilizadas como estruturas dinâmicas para materializar espaços reconfiguráveis a diferentes escalas. Demonstra ainda que a utilização de sistemas pantográficos como mecanismos associados a partes específicas da superfície permite atingir um movimento sincronizado e a possibilidade de bloquear o movimento em estados específicos da dobragem

Geometry-based structural analysis and design via discrete stress functions

This PhD thesis proposes a direct and unified method for generating global static equilibrium for 2D and 3D reciprocal form and force diagrams based on reciprocal discrete stress functions. This research combines and reinterprets knowledge from Maxwell’s 19th century graphic statics, projective geometry and rigidity theory to provide an interactive design and analysis framework through which information about designed structural performance can be geometrically encoded in the form of the characteristics of the stress function. This method results in novel, intuitive design and analysis freedoms. In contrast to contemporary computational frameworks, this method is direct and analytical. In this way, there is no need for iteration, the designer operates by default within the equilibrium space and the mathematically elegant nature of this framework results in its wide applicability as well as in added educational value. Moreover, it provides the designers with the agility to start from any one of the four interlinked reciprocal objects (form diagram, force diagram, corresponding stress functions). This method has the potential to be applied in a wide range of case studies and fields. Specifically, it leads to the design, analysis and load-path optimisation of tension-and compression 2D and 3D trusses, tensegrities, the exoskeletons of towers, and in conjunction with force density, to tension-and-compression grid-shells, shells and vaults. Moreover, the abstract nature of this method leads to wide cross-disciplinary applicability, such as 2D and 3D discrete stress fields in structural concrete and to a geometrical interpretation of yield line theory

Geometrie

The program covered a wide range of new developments in geometry. To name some of them, we mention the topics “Metric space geometry in the style of Alexandrov/Gromov”, “Polyhedra with prescribed metric”, “Willmore surfaces”, “Constant mean curvature surfaces in three-dimensional Lie groups”. The official program consisted of 21 lectures and included four lectures by V. Schroeder (Zürich) and S. Buyalo (Sankt-Petersburg) on “Asymptotic geometry of Gromov hyperbolic spaces”

Advances in Human-Protein Interaction - Interactive and Immersive Molecular Simulations

International audienc

Intelligent Machining Systems

Machining is one of the most widespread manufacturing processes and plays a critical role in industries. As a matter of fact, machine tools are often called mother machines as they are used to produce other machines and production plants. The continuous development of innovative materials and the increasing competitiveness are two of the challenges that nowadays manufacturing industries have to cope with. The increasing attention to environmental issues and the rising costs of raw materials drive the development of machining systems able to continuously monitor the ongoing process, identify eventual arising problems and adopt appropriate countermeasures to resolve or prevent these issues, leading to an overall optimization of the process. This work presents the development of intelligent machining systems based on in-process monitoring which can be implemented on production machines in order to enhance their performances. Therefore, some cases of monitoring systems developed in different fields, and for different applications, are presented in order to demonstrate the functions which can be enabled by the adoption of these systems. Design and realization of an advanced experimental machining testbed is presented in order to give an example of a machine tool retrofit aimed to enable advanced monitoring and control solutions. Finally, the implementation of a data-driven simulation of the machining process is presented. The modelling and simulation phases are presented and discussed. So, the model is applied to data collected during an experimental campaign in order to tune it. The opportunities enabled by integrating monitoring systems with simulation are presented with preliminary studies on the development of two virtual sensors for the material conformance and cutting parameter estimation during machining processes