Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir

For simulation studies of (macro) molecular liquids it would be of significant interest to be able to adjust or increase the level of resolution within one region of space, while allowing for the free exchange of molecules between open regions of different resolution or representation. We generalize the adaptive resolution idea and suggest an interpretation in terms of an effective generalized grand canonical approach. The method is applied to liquid water at ambient conditions

Hamiltonian adaptive resolution simulation for molecular liquids

Adaptive resolution schemes allow the simulation of a molecular fluid treating simultaneously different subregions of the system at different levels of resolution. In this work we present a new scheme formulated in terms of a global Hamiltonian. Within this approach equilibrium states corresponding to well defined statistical ensembles can be generated making use of all standard Molecular Dynamics or Monte Carlo methods. Models at different resolutions can thus be coupled, and thermodynamic equilibrium can be modulated keeping each region at desired pressure or density without disrupting the Hamiltonian framework.Comment: 11 pages, 3 Figure

2020-2021 John Oliveira String Competition - Semi-final and Final Rounds

Semi-finalists (Listed alphabetically) Kayla Bryan, violin Benjamin Kremer, violin Sebastian Orellana, violin Davron Ziyodjonov, cello Final Rounds Saturday, March 20, 2021 at 7:30 P.M. | Live-streamed from Amarnick-Goldstein Concert Hall Benjamin Kremer, violin Davron Ziyodjanov, cellohttps://spiral.lynn.edu/conservatory_john-oliveira/1006/thumbnail.jp

Smart Products for Smart Production – A Use Case Overview

Industry 4.0 is driven by Cyber-Physical Systems and Smart Products. Smart Products provide a value to both its users and its manufacturers in terms of a closer connection to the customer and his data as well as the provided smart services. However, many companies, especially SMEs, struggle with the transformation of their existing product portfolio into smart products. In order to facilitate this process, this paper presents a set of smart product use-cases from a manufacturer’s perspective. These use-cases can guide the definition of a smart product and be used during its architecture development and realization. Initially the paper gives an introduction in the field of smart products. After that the research results, based on case-study research, are presented. This includes the methodological approach, the case-study data collection and analysis. Finally, a set of use-cases, their definitions and components are presented and highlighted from the perspective of a smart product manufacturer

Proposing a Solution for a Self-Managed Data-Ecosystem in Production: Use-Case-Driven IT-OT-Integration with an Event-Driven IT-Architecture

With the development of publicly accessible broker systems within the last decade, the complexity of data-driven ecosystems is expected to become manageable for self-managed digitalisation. Having identified event-driven IT-architectures as a suitable solution for the architectural requirements of Industry 4.0, the producing industry is now offered a relevant alternative to prominent third-party ecosystems. Although the technical components are readily available, the realisation of an event-driven IT-architecture in production is often hindered by a lack of reference projects, and hence uncertainty about its success and risks. The research institute FIR and IT-expert synyx are thus developing an event-driven IT-architecture in the Center Smart Logistics' producing factory, which is designed to be a multi-agent testbed for members of the cluster. With the experience gained in industrial projects, a target IT-architecture was conceptualised that proposes a solution for a self-managed data-ecosystem based on open-source technologies. With the iterative integration of factory-relevant Industry 4.0 use cases, the target is continuously realised and validated. The paper presents the developed solution for a self-managed event-driven IT-architecture and presents the implications of the decisions made. Furthermore, the progress of two use cases, namely an IT-OT-integration and a smart product demonstrator for the research project BlueSAM, are presented to highlight the iterative technical implementability and merits, enabled by the architecture

Event-driven IT-architectures as enabler for Industry 4.0

Originating in 2011, Industry 4.0 describes the digital revolution of industry and has since become a collective term for smart, mutable and data driven factories. During the last decade systemic and methodical solutions were designed and implemented that enable corresponding data driven use cases for producers. Today's system providers offer complex data ecosystems in which data-driven use cases are built-in and implementers offer focused digitalisation projects to rapidly address quick wins. While an assessment of expectations around Industry 4.0 results in requirements within the domains of modifiability, connectivity, data and organisation for an IT-architecture, many such solutions are found to be violating essential requirements as systemic flexibility and data-availability. Not only is this a relevant matter for architectural purists, but it highlights real problems that industry is still facing while applying digitalisation measures in pursuit of Industry 4.0. While event-driven architectures go back to the design of modern operating systems, the emergence of powerful, resilient and cheap broker-technologies has risen the polarity of event-driven IT-architectures for businesses in the last decade. Although its occurrence is predominantly represented in ecommerce, finance and insurance, many prominent manufactures have since begun their transformation into an event-driven IT-architecture. Reasons for this architectural adaptation include exceptional data availability, resilience, scalability and especially data sovereignty. An assessment of event-driven IT-architecture's properties and implications reveals an excellent fit for the architectural requirements of Industry 4.0. In this work the subject of Industry 4.0 is analysed along literature to derive a collective understanding of expectations from a factory implementing Industry 4.0. Subsequently, IT-architectural requirements are derived that describe an architecture capable of satisfying these expectations. Then event-driven IT-architectures are analysed regarding their structural composition and capabilities. Finally, the fit of event-driven IT-architecture is evaluated against the architectural requirements of Industry 4.0, discussing congruence and divergence

2022-2023 Master Class - Ida Kavafian (Violin)

https://spiral.lynn.edu/conservatory_masterclasses/1243/thumbnail.jp

Anomalous Dynamics of Translocation

We study the dynamics of the passage of a polymer through a membrane pore (translocation), focusing on the scaling properties with the number of monomers $N$. The natural coordinate for translocation is the number of monomers on one side of the hole at a given time. Commonly used models which assume Brownian dynamics for this variable predict a mean (unforced) passage time $\tau$ that scales as $N^2$, even in the presence of an entropic barrier. However, the time it takes for a free polymer to diffuse a distance of the order of its radius by Rouse dynamics scales with an exponent larger than 2, and this should provide a lower bound to the translocation time. To resolve this discrepancy, we perform numerical simulations with Rouse dynamics for both phantom (in space dimensions $d=1$ and 2), and self-avoiding (in $d=2$) chains. The results indicate that for large $N$, translocation times scale in the same manner as diffusion times, but with a larger prefactor that depends on the size of the hole. Such scaling implies anomalous dynamics for the translocation process. In particular, the fluctuations in the monomer number at the hole are predicted to be non-diffusive at short times, while the average pulling velocity of the polymer in the presence of a chemical potential difference is predicted to depend on $N$.Comment: 9 pages, 9 figures. Submitted to Physical Review

Crossroads between contrastive linguistics, translation studies and machine translation: TC3-II

Contrastive Linguistics (CL), Translation Studies (TS) and Machine Translation (MT) have common grounds: They all work at the crossroad where two or more languages meet. Despite their inherent relatedness, methodological exchange between the three disciplines is rare. This special issue touches upon areas where the three fields converge. It results directly from a workshop at the 2011 German Association for Language Technology and Computational Linguistics (GSCL) conference in Hamburg where researchers from the three fields presented and discussed their interdisciplinary work. While the studies contained in this volume draw from a wide variety of objectives and methods, and various areas of overlaps between CL, TS and MT are addressed, the volume is by no means exhaustive with regard to this topic. Further cross-fertilisation is not only desirable, but almost mandatory in order to tackle future tasks and endeavours, and this volume is committed to bringing these three fields even closer together