TY - JOUR A1 - Müller-Iden, Jens A1 - Dünnweber, Jan A1 - Gorlatch, Sergei A1 - Alt, Martin A1 - Fujita, Hamido A1 - Funyu, Yutaka T1 - Clayworks: Toward user-oriented software for collaborative modeling JF - Knowledge-Based Systems N2 - We consider the development of software systems that integrate collaborative real-time modeling and distributed computing. Our main goal is user-orientation: we need a collaborative workspace for geographically dispersed users with a seamless access of every user to high-performance servers. This paper presents a particular prototype, Clayworks, that allows modeling of virtual clay objects and running computation-intensive deformation simulations for objects crashing into each other. In order to integrate heterogeneous computational resources, we adopt modern Grid middleware and provide the users with an intuitive graphical interface. Simulations are parallelized using a higher-order component (HOC) which abstracts over the web service resource framework (WSRF) used to interconnect our worksuite to the computation server. Clayworks is a representative of a large class of demanding systems which combine collaborative, user-oriented modeling with performance-critical computations, e.g., crash-tests or simulations of biological population evolution. KW - User-oriented software development KW - Collaborative environments KW - Real-time modeling KW - High-performance simulation Y1 - 2008 U6 - https://doi.org/10.1016/j.knosys.2008.12.001 VL - 22 IS - 3 SP - 209 EP - 215 PB - Elsevier CY - Oxford, UK ER - TY - CHAP A1 - Müller, Jens A1 - Alt, Martin A1 - Dünnweber, Jan A1 - Gorlatch, Sergei T1 - Clayworks BT - A System for Collaborative Real-Time Modeling and High-Performance Simulation T2 - IEEE International Conference on e-Science and Grid Computing (e-Science'06), 2nd, 4-6 Dec 2006, Amsterdam, Netherlands N2 - Clayworks is a software system which integrates collaborative real-time modeling and distributed computing. It addresses the challenge of developing a collaborative workspace with a seamless access to high-performance servers. Clayworks allows modeling of virtual clay objects and running computation-intensive deformation simulations for objects crashing into each other. To integrate heterogeneous computational resources, we adopted modern Grid middleware and provided the users with an intuitive graphical interface. We parallelized the computation of simulations using a Higher-Order Component (HOC) which abstracts over the Globus Web service resource framework (WSRF) used to interconnect our worksuite to the computation server. Clayworks is a representative of a large class of demanding systems which combine collaborative modeling with performance-critical computations, e.g., crash-tests or simulations for biological population evolution. KW - Collaboration KW - Real time systems KW - Computational modeling KW - Collaborative work KW - Biology computing KW - Biological system modeling KW - Deformable models KW - Computer crashes KW - Software systems KW - Concurrent computing Y1 - 2006 SN - 0-7695-2734-5 U6 - https://doi.org/10.1109/E-SCIENCE.2006.261188 ER - TY - JOUR A1 - Wolfgramm, Alex A1 - Abb, Valerius A1 - Samp, Artur A1 - Samp, Rafal A1 - Hoffmann, Jens Christoph A1 - Müller, Rainer A1 - Kammler, Martin T1 - Structural and functional evolution of HKUST-1 nanoparticles induced by ball milling JF - Next Materials N2 - In this study, the effect of post-synthetic ball milling on the structural and functional properties of as-synthesized nanoparticles of the copper-based metal-organic framework (MOF) HKUST-1 was investigated for the first time. Nanoparticles were synthesized using sodium formate as a capping agent. The crystalline particles were subjected to a controlled ball milling process, which induced significant structural changes. Powder X-ray diffraction (PXRD) revealed a reduction in crystallite size from 91 nm to 21 nm and the introduction of microstrain, partially disrupting the MOF's long-range crystalline order, as evidenced by peak broadening and the diminished intensity of high-angle reflections. Particle morphology pre- and post-milling was further studied with scanning electron microscopy (SEM) imaging, verifying a narrow particle size distribution of ± 22 nm after milling. Fourier-transform infrared spectroscopy (FTIR) indicated protonation of carboxylate groups in the larger pores of the framework, likely due to moisture incorporation during milling. Brunauer-Emmett-Teller (BET) surface area analysis showed a substantial decrease in specific surface area from 521 m²/g to 226 m²/g, suggesting a partial collapse of the porous framework. We discuss the applicability of ball milling as a versatile means of post-synthetic approach to reduce MOF particle sizes, a key element in the preparation of MOF-based thin films using inks or polymers. KW - Ball milling KW - Copper-based metal-organic framework KW - HKUST-1 KW - Nitrogen adsorption Y1 - 2026 U6 - https://doi.org/10.1016/j.nxmate.2025.101544 N1 - Corresponding author der OTH Regensburg: Alex Wolfgramm VL - 10 PB - Elsevier ER -