IIT Indore - TU9

Research

Workshop

Date 2-3 November 2016

Venue Technische Universität Berlin

Institut für Mathematik

Straße des 17. Juni 136

Berlin Charlottenburg

Room MA 415

Website http://iiti.ac.in/TU9/

Government

Bodies

Embassy of India, Berlin

Participating TU9s

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Contents

Schedule of Events……………………………………………………….…3-5

Abstracts

Karlsruher Institut für Technologie – IIT Indore……………………………11-12

Leibniz Universität Hannover – IIT Indore………………………………………….13

RWTH Aachen – IIT Indore………………………….……………………………….6-7, 18

TU Berlin – IIT Indore………………………….…………………………8-10, 14-15, 17

TU Braunschweig – IIT Indore………………………….………………………………….16

Acknowledgements

We would like to thank Mr. Gurjit Singh, H. E. The Ambassador of

India to Germany, Mr. R. Madhan, Counselor, Science and Technology,

Embassy of India, Berlin, and all other supporting staff at the Embassy

for their continued support.

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Schedule of Events

10 AM on November 2, 2016 (Starts with Tea/Coffee)

Session 1 (Opening: 10:15 AM – 11:00 AM; Chair: Dr. K. Ahuja) o Introduction by Prof. Pradeep Mathur (Director, IIT Indore) and

Mr. Gurjit Singh (Ambassador of India, Berlin)

o Recorded Address by Mr. Prakash Javadekar (MHRD Minister)

o Address by Dr. Martin Goller (DLR - Project Management Agency

/ Head of Unit South Asia, Southeast Asia, BMBF)

Session 2 (Mat. Sci. & Physics: 11:00 AM – 12:15 PM; Chair: Dr. S. K. Singh)

o Surface Morphology of Metal Oxide/Polymer Films by Grazing Incidence X-ray Scattering

Prof. Dr. Uwe Klemradt (RWTH Aachen)

Dr. Sudeshna Chattopadhyay (IIT Indore)

o Novel Phase Change Materials by Design: The Mystery of

Resonance Bonding

Prof. Dr. Matthias Wuttig (RWTH Aachen)

Prof. Dr. Riccardo Mazzarello (RWTH Aachen)

Dr. Anbarasu Manivannan (IIT Indore)

Lunch Break and Discussions (12:15 PM - 1:45 PM)

Session 2 Cont. (Mat. & Phy.: 1:45 PM–2:45 PM; Chair: Dr. S. K. Singh) o Coupled Dynamics on Networks

Dr. Anna Zakharova (TU Berlin)

Dr. Sarika Jalan (IIT Indore)

o Chimera States: Coherence-Incoherence Patterns in Complex

Networks

Prof. Dr. Eckehard Schöll (TU Berlin) Dr. Anna Zakharova (TU Berlin)

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Tea/Coffee (2:45 PM - 3:00 PM)

Session 3 (Chemistry: 3:00 PM - 4:30 PM; Chair: Dr. S. Chattopadhyay) o Homogenous Catalysts based on the Rare-Earth Elements and

related Systems

Prof. Peter W. Roesky (Karlsruher Institut für Technologie)

Dr. Sanjay Kumar Singh (IIT Indore)

o Colloidal Nanoparticles as Model Systems in Catalysis

Dr. Silke Behrens (Karlsruher Institut für Technologie)

Dr. Sanjay Kumar Singh (IIT Indore)

o 1,1'-Disubstituted Ferrocenes Based Molecular Wires

Prof. Dr. Holger Butenschön (Leibniz Universität Hannover) Mr. Ramesh Maragani (IIT Indore)

Session 4 (Discussion: 4:30 PM – 5:30 PM; Chair: Dr. S. Jalan) o Q & A

o Poster session

9 AM on November 3, 2016

Session 5 (Comp. Sci. & Math: 9:00 AM – 10:30 AM; Chair: Dr. M. Anbarasu)

o Eigenvalue Computation and Model Order Reduction in the

Presence of Uncertainties

Prof. Dr. Volker Mehrmann (TU Berlin)

Dr. Safique Ahmad (IIT Indore)

o Short Recurrences, the Faber-Manteuffel Theorem and the Bi-

Lanczos Method

Prof. Dr. Jörg Liesen (TU Berlin)

Dr. Kapil Ahuja (IIT Indore)

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o Preconditioning Strategies for Model Reduction of Second Order

Linear Dynamical Systems

Prof. Dr. Heike Fassbender (TU Braunschweig)

Dr. Kapil Ahuja (IIT Indore)

Tea/Coffee Break (10:30 AM - 10:45 AM)

Session 6 (Mechanical: 10:45 AM – 12:15 PM; Chair: Dr. S. Ahmad) o Combustor Technology: Current Challenges and Research

Prospects

Dr. Lipika Kabiraj (TU Berlin)

Dr. Devendra Deshmukh (IIT Indore)

o Design, Development and Control of a Planar Parallel Manipulator

for Lower Limb Rehabilitation Therapies

Prof. Dr. Burkhard Corves (RWTH Aachen)

Prof. Dr.-Ing. Mathias Hüsing (RWTH Aachen)

Dr. Santhakumar Mohan (IIT Indore)

o Closing remarks by Dr. Anna Zakharova (TU9 Coordinator) and

Dr. Kapil Ahuja (IIT Indore Coordinator)

Lunch Break (12:15 PM - 1:15 PM)

Session 7 (Discussion: 1:15 PM – 4:15 PM; Chair: Dr. A. Zakharova)

o Discussion on Future of IIT Indore-TU9 Collaboration

Date and Venue of the Next Meeting

Financial Support

o Discussion Between Collaborating Groups

Departure

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Abstracts

Prof. Dr. Uwe Klemradt

(RWTH Aachen)

Dr. Sudeshna Chattopadhyay

(IIT Indore)

Title: Surface Morphology of Metal Oxide/Polymer Films by Grazing Incidence X-ray Scattering

Abstract: Semiconducting metal oxides on polymer substrates are promising

candidates for a variety of applications, such as flexible thin film transistors, flat interface nerve electrodes, thin film solar cells and sensors. This is due to large area active polymer films, which can be easily prepared from solution by spin- or

dip-coating techniques on flexible substrates. Within cooperation between RWTH Aachen University and IIT Indore, we studied the direct-current (DC) magnetron sputtering deposition of ZnO and ITO on Polystyrene/Si substrates by X-ray

reflectivity (XRR) and grazing-incidence small-angle X-ray (GISAXS) scattering. Using these techniques, the density profile perpendicular to surface as well as in-

plane surface structures can be analyzed. The data provide detailed insight into the surface morphology and layer formation process of the thin metal films for different thicknesses. Results show that the morphology of the polymer is not

disturbed by the sputtered layer and that closed metal oxide films are formed. By contrast, low temperatures during the sputtering process seem to reduce particle

diffusion leading to partial island growth. Furthermore, aging effects of the samples will be addressed.

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Prof. Dr. Matthias Wuttig

(RWTH Aachen)

Prof. Dr. Riccardo Mazzarello

(RWTH Aachen)

Dr. Anbarasu Manivannan (IIT Indore)

Title: Novel Phase Change Materials by Design: The Mystery of Resonance Bonding

Abstract: Phase change media utilize a remarkable property portfolio including

the ability to rapidly switch between the amorphous and crystalline state, which differ significantly in their properties. This material combination makes them very attractive for data storage applications in rewriteable optical data storage, where

the pronounced difference of optical properties between the amorphous and crystalline state is used. This unconventional class of materials is also the basis

of a storage concept to replace flash memory. This talk will discuss the unique material properties, which characterize phase change materials. In particular, it will be shown that only a rather small group of materials utilizes resonance

bonding, a particular flavour of covalent bonding, which can explain many of the characteristic features of phase change materials. This insight is employed to predict systematic property trends and to explore the limits in stoichiometry for

such memory applications. It will be demonstrated how this concept can be used to tailor the electrical and thermal conductivity of phase change materials. Yet, the discoveries presented here also force us to revisit the concept of resonance

bonding and bring back a history of vivid scientific disputes about ‘the nature of the chemical bond’.

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Dr. Anna Zakharova

(TU Berlin)

Dr. Sarika Jalan

(IIT Indore)

Title: Coupled Dynamics on Networks

Abstract: Realization that same units may have different types of interactions, such as same group of people interacting via a friendship networks and via

Facebook, has led to spurt in activities of modeling real world complex systems under multiplex networks framework. Furthermore, synchronization or coherent behavior is one of the most fascinating phenomena exhibited by chaotically

interacting dynamical units. We investigate synchronization of coupled dynamics on networks and on multiplex networks.

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Prof. Dr. Eckehard Schöll

(TU Berlin)

Dr. Anna Zakharova

(TU Berlin)

Title: Chimera States: Coherence-Incoherence Patterns in Complex Networks

Abstract: Chimera states are intriguing examples of spontaneous symmetry breaking and pattern formation in dynamical networks. They consist of coexisting incongruous domains of spatially coherent (synchronized) and incoherent

(desynchronized) dynamics in systems of nonlocally coupled oscillators, and they have recently been discussed in diverse classical and quantum systems, including neuronal networks, nonlinear chemical and optical systems, and coupled lasers

[1]. We show that a plethora of novel chimera patterns arise if one goes beyond the Kuramoto phase oscillator model and considers coupled amplitude and phase dynamics. For the FitzHugh-Nagumo system [2,3], the Van der Pol oscillator

[4,5], and the Stuart-Landau oscillator with symmetry-breaking coupling [6] various chimera patterns have been found.

Of particular current interest is the influence of complex network connectivities other than simple ring topologies. To test the robustness of chimera patterns, we

study small-world and fractal (hierarchical) topologies [3,5]. This is of relevance in neuroscience since there exists evidence that the connectivity in the brain has a fractal structure. We also address the emergence of coherence-resonance

chimeras in excitable systems in the presence of noise [7]. A second focus of recent research are chimeras in small networks. Chimeras are

generally difficult to observe in small networks due to their short lifetime and erratic drifting of the spatial position of the incoherent domain. We propose a control scheme which can stabilize and fix the position of chimera states in small

networks by symmetric and asymmetric self-adaptive feedback control [8]. Like tweezers, which help to hold tiny objects, our control has two levers: the first one prevents the chimera collapse, whereas the second one stabilizes its lateral

position. The control scheme might be useful in experiments, where usually only small networks can be realized.

This work was supported by DFG in the framework of SFB 910. [1] E.Schöll,S.H.L.Klapp,andP.Hövel(Eds.):Controlofself-organizing

nonlinearsystems(Springer,Berlin,2016);M.J.PanaggioandD.M.Abrams,

Nonlinearity28,R67(2015).

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[2] I.Omelchenko,O.E.Omel'chenko,P.Hövel,andE.Schöll,Phys.Rev.Lett.

110,224101(2013).

[3] I.Omelchenko,A.Provata,J.Hizanidis,E.Schöll,andP.Hövel,Phys.Rev.E91,

022917(2015).

[4] I.Omelchenko,A.Zakharova,P.Hövel,J.Siebert,andE.Schöll,Chaos25,

083104(2015).

[5] S.Ulonska,I.Omelchenko,A.Zakharova,andE.Schöll:Chimerastatesin

hierarchicalnetworksofVanderPoloscillators,arXiv:1603.00171(2016).

[6] A.Zakharova,M.Kapeller,andE.Schöll,Phys.Rev.Lett.112,154101(2014).

[7] N.Semenova,A.Zakharova,V.Anishchenko,andE.Schöll,Phys.Rev.Lett.

117,014102(2016).

[8] I.Omelchenko,O.E.Omel'chenko,A.Zakharova,M.Wolfrum,andE.Schöll,

Phys.Rev.Lett.116,114101(2016).

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Prof. Peter W. Roesky

(Karlsruher Institut für Technologie)

Dr. Sanjay Kumar Singh

(IIT Indore)

Title: Homogenous Catalysts based on the Rare-Earth Elements and related Systems

Abstract: Since the People's Republic of China suddenly cut the export of rare-earths in 2010, the broader public and a number of chemists have become increasingly aware of these elements. In fact, the list of objects around us

containing rare-earth elements is almost endless. Super magnets, nickel-metal hydride batteries for hybrid cars, luminescent materials such as the phosphors in color TVs and in bank notes, MRI contrast agents, and catalysts for the synthesis

of artificial rubber are some prominent examples in which rare-earth elements are involved. Most of the materials in magnetic and optical devices are solid-state compounds. Although catalysts based on the rare-earths have been established

for a long time, they are far less developed than catalysts based on transition metals.

In catalysis, we focused on homogenous catalysts for the hydroamination reaction. Hydroamination is the formal addition of an organic amine N-H bond to an unsaturated carbon-carbon bond in one step to give nitrogen containing

molecules. The catalytic hydroamination reaction is of great interest for academic and industrial research. Here, the synthesis of the first enantiomerically pure

amidinate rare earth metal complexes is shown. Some of these compounds are suitable catalyst for the asymmetric intramolecular hydroamination. Good activity and enantiomeric excess values have been observed.

We are also dealing with catalysts based on zinc and gold nanoparticles. These catalysts will be compared with catalysts based on the rare-earth elements.

Advantages and disadvantages of each system will be discussed.

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Dr. Silke Behrens

(Karlsruher Institut für Technologie)

Dr. Sanjay Kumar Singh

(IIT Indore)

Title: Colloidal Nanoparticles as Model Systems in Catalysis

Abstract: Over the last decades, techniques, which enable the synthesis of

highly uniform nanoparticulate materials (e.g., by reduction of metal salts with diverse reducing agents or the thermal decomposition of organometallic precursors in the presence of stabilizing ligands), have attracted a lot of interest.

Nanoparticles with a predefined size, shape and composition have been made available and thoroughly characterized by various analytical techniques (e.g., transmission electron microscopy, X-ray diffraction analysis). The techniques for

nanoparticle synthesis provide several advantages for the preparation of well-defined catalysts. They may open up not only a path to model systems for contributing to the fundamental understanding of synthesis–structure–activity

relationships but also to the future design of highly active, stable, selective, and cost effective catalysts. Nanoparticles have been exploited for various catalytic chemical processes, including organic synthesis (e.g., cross coupling reactions)

or energy-related catalytic processes (e.g., the single-step dimethyl ether (STD) synthesis). In this context, we have been collaborating with Dr. Sanjay K. Singh of Discipline of Chemistry, Indian Institute of Technology Indore, India for

several years.

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Prof. Dr. Holger Butenschön

(Leibniz Universität Hannover)

Mr. Ramesh Maragani

(IIT Indore)

Title: 1,1'-Disubstituted Ferrocenes Based Molecular Wires

Abstract: Molecular wires are essential building blocks in the concept of

molecular electronics. This field regards molecules as the smallest possible units for electronic devices and has become important in the context of the continuing miniaturization of electronic devices, which now approached principle physical

limitations.[1] Usual molecular wires consist of repetitive units of 1,4-phenylene and

alkynylidene groups, the most popular are oligophenyleneethynylenes (OPEs). The arene rings in these structures may be exchanged for 2,5-thiophenylene units. Usually the ends of these wires bear an "alligator clip", which is a

functional group allowing for the attachment of the wire at an electrode. For these thioacetyl groups are most common for attachment at gold, but other, less sensitive functional groups are being investigated in this context. Our concept

replaces some, not all of the 1,4-phenylene units by 1,1'-ferrocenylidene units. This renders the wires less rigid, the change ads some limited conformational

flexibility comparable to that of a foldable ruler. As a consequence, π,π stacking of more that one wire becomes less likely, and the geometry of the wires may better be adapted to the electrode and device geometry. 1 (R = OMe, OSiMe3)

and 2 are representative compounds in this context.[2, 3]

[1] J.M.Tour,Acc.Chem.Res.2000,33,791-804.

[2] N.Krauße,H.Butenschön,Eur.J.Org.Chem.2014,6686-6695.

[3] I.Baumgardt,H.Butenschön,Eur.J.Org.Chem.2010,1076-1087.

Fe

BuSt

Fe

BuSt

1

Fe

StBuR

R

SFe

SFe

StBu

2

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Prof. Dr. Volker Mehrmann

(TU Berlin)

Dr. Safique Ahmad

(IIT Indore)

Title: Eigenvalue Computation and Model Order Reduction in the Presence of Uncertainties

Abstract: The computation of eigenvalues and eigenvectors of large-scale finite element models or partial differential equation models is an important task in

many areas of science and engineering. But models are only an approximation of a real physical system, and usually in the computation one has measurement errors in the data, discretization errors in time and space, as well as termination

errors in iterations and round-off errors in finite precision arithmetic. Can we nevertheless, despite all these uncertainties, make use of the computational results? How good and trustworthy are the results with respect to the real

physical system and can we realize worst case or average scenarios. We will discuss these questions in the context of eigenvalue problems arising in the reduction of noise in car manufacturing.

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Prof. Dr. Jörg Liesen

(TU Berlin)

Dr. Kapil Ahuja

(IIT Indore)

Title: Short Recurrences, the Faber-Manteuffel Theorem and the Bi-Lanczos Method

Abstract: Due to constant increase in data generated via various mediums,

processing it quickly is becoming increasingly important. The numerical linear algebra for conventional data has to be revisited. One important aspect is efficiently solving linear algebraic systems.

Many iterative solvers for non-symmetric systems are based on the Arnoldi

method or the bi-Lanczos method. The fundamental theorem of Faber and Manteuffel gives conditions under which the Arnoldi recurrence is short and the resulting iterative solver is computational cheap. In this talk we will first describe

these conditions and their implications. Recently, conditions have been derived under which iterative methods based on

the bi-Lanczos method can also be used cheaply. However, these conditions are quite restrictive. The second part of the talk will discuss strategies for finding general conditions for bi-Lanczos along the lines of the Faber-Manteuffel theorem

for Arnoldi.

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Prof. Dr. Heike Fassbender

(TU Braunschweig)

Dr. Kapil Ahuja

(IIT Indore)

Title: Preconditioning Strategies for Model Reduction of Second Order Linear Dynamical Systems

Abstract: Simulations with large dynamical systems can be unmanageable due

to high demands on computational resources. Model reduction techniques are one option to produce a low dimensional system that has same properties as the original system and allows for faster simulation times. We focus on

preconditioners for efficient solution of linear systems arising during model reduction process of second order linear dynamical systems.

We have recently proposed a new preconditioner for a model reduction algorithm (for such dynamical systems). This preconditioner exploits the algorithm as well as the underlying dynamical system structure to perform better than existing

preconditioners. We have also shown that under certain conditions the algorithm under consideration is stable with respect to the error introduced by iterative

methods. Future work includes applying preconditioned iterative methods in other model

reduction algorithms for second order dynamical systems (besides the one we studied). Based upon our studies of these algorithms, we also plan to propose a general class of preconditioners that would work for most model reduction

algorithms for second order linear dynamical systems.

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Dr. Lipika Kabiraj

(TU Berlin)

Dr. Devendra Deshmukh

(IIT Indore)

Title: Combustor Technology: Current Challenges and Research Prospects

Abstract: Sustainable production of energy is a basic requirement for the

society and combustion is one of the various modes of mass energy production. Although, combustor technology has been under constant development for over several decades and is consequently is quite mature, there is still scope for

further development. Part of this development calls for innovative solutions to advance the existing limitations in efficiency, reliability, flexibility, safety, and environmental impact. It is a technological challenge to progress simultaneously

on all fronts because often any modification leading to a gain in one aspect leads also to a concerning disadvantage in one or more of the others.

The talk will be an overview on some of the most important technical challenges associated with combustor technology, in particular, combustion instability, which is an aspect of major research focus at TU Berlin. I will discuss recent advances

on combustion dynamics and introduce our collaboration with IIT Indore in the area of liquid fuel combustion, which will involve combining our expertise on

combustion dynamics with the expertise at IIT Indore on spray dynamics.

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Prof. Dr. Burkhard Corves

(RWTH Aachen)

Prof. Dr.-Ing. Mathias Hüsing

(RWTH Aachen)

Dr. Santhakumar Mohan

(IIT Indore)

Title: Design, Development and Control of a Planar Parallel Manipulator for Lower Limb Rehabilitation Therapies

Abstract: The main objective of our research is to develop an efficient foot-plate based lower limb rehabilitation robot cum a body weight support (BWS)

system. The BWS system helps in simulating the actual process of walking which helps in assisting the patient in regain gait patterns for walking and running. This BWS system can aid us in using the system as a virtual reality simulator wherein

the patient is made to visualize the environment around him, which would benefit the patient in recovering both physiologically and psychologically. The foot plates could be programmed to emulate obstacles in the path, change in

gait patterns from walking to jogging to running with the corresponding change in the environment thus helping the patient in recovering in an augmented

environment. This research work proposes a new vertical planar parallel manipulator along with a RRR serial planar passive orthosis (exoskeleton/supporting system) for sitting/lying type lower limb rehabilitation

therapies. Further, a robust motion control scheme based on a non-singular fast terminal

sliding mode along with a nonlinear disturbance observer is proposed. The effectiveness and usefulness of the proposed manipulator along with the motion controller is demonstrated through the help of computer based numerical

simulations using a clinically recorded gait data and the proposed motion control scheme is also validated on an in-house fabricated prototype through motion control experiments. The controller parameter sensitivity and controller

robustness are analyzed at different working conditions. In comparison to the conventional controllers, the proposed control scheme possess few advantages namely better robustness, less chattering, high precision and fast finite time

convergence, and requires no exact knowledge of the system parameters. From the demonstration, the proposed manipulator has certain advantages over existing stationary lower limb rehabilitation trainers namely, simple design, larger

workspace, higher stiffness, modular design and low cost.