B-MRS (SBPMat) newsletter. English edition. Year 3, issue 8.


Brazilian Materials Research Society (SBPMat) newsletter

News update from Brazil for the Materials community

English edition. Year 3, issue 8. 
XV Brazil-MRS (SBPMat) Meeting - Campinas (SP), Sept 25-29, 2016 

1,909 abstracts have been accepted to be presented at the XV SBPMat/ Brazil-MRS Meeting. 

Registration: Registration for the event is open. Here.

Awards. In addition to the Bernhard Gross Award, this year there will also be an ACS award (American Chemical Society). The winners have to be present at the closing ceremony in order to receive the prizes (Sept 29, from 11h45 to 14h00).

Program. The short and full (symposium by symposium) versions are available on the website. Here.

Special Sessions – Science Lunch “Research in Germany”, Sept 26, from 12h00 to 14h00. This session will bring together scientists and funding agencies from Germany to discuss research opportunities in that country. Limited availability. Learn more and complete your registration free of charge, here.

Special Sessions – Meet the Editors, Sept 27, from 12h00 to 14h00. The round table “Meet the editors” will host Paul Weiss (editor-in-chief of ACS Nano), Susan Sinnott (editor-in-chief of Computational Materials Science), Ifor Samuel (editor-in-chief of Synthetic Metals) and Tim Smith (IOP Publishing director) who will discuss scientific publication. Limited availability. Free registration in the registration form of the meeting, where activities can be selected. 

Special Sessions – Materials Research and Innovation, Sept 28, from 12h00 to 14h00. This panel will bring together representatives of Mahle, Braskem and Inova-Unicamp, who will present cases of university-industry collaboration for R&D in Brazil and discuss the role of materials research in innovation. Limited availability. Free registration in the registration form of the meeting, where activities can be selected. 

Tutorials: Two tutorials will be offered on Sept 25 from 14h00 to 17h00 to those registered at the event, at no extra cost. One tutorial is on computer simulations of atomic systems using Reactive Force Fields (theory and practice). The second, organized by Professor Valtencir Zucolotto, will address the capabilities required to make high-impact science, including scientific writing. Free registration in the registration form of the meeting, where activities can be selected. 

Publication of contributions: The papers presented at the XV Brazil-MRS Meeting may be submitted by their authors for peer review for publication in IOP scientific journals. More info.

Plenary sessions:  View the abstracts of the plenary lectures and the memorial lecture of our event and bios of the scientists presenting them. Here.

Exhibition: It will comprise 43 stands.

Accommodation and tickets: See the list of the travel agency “Follow Up” with hotels, hostels, guesthouses and the forms to book flights. Here. 

Vacation packages: The Follow Up website also suggests tour packages for before and after the event. Here.

Venue: See video of the city of Campinas and folder about the Expo Dom Pedro convention center. 

Organizers: This edition of the event is coordinated by Prof. Ana Flávia Nogueira (Unicamp, Institute of Chemistry) and Prof. Mônica Alonso Cotta (Unicamp, “Gleb Wataghin” Institute of Physics). See who are the members of the local committee and view the photos of the organizers. Here.

SBPMat news
SBPMat is pleased to announce that the XVI SBPMat/ Brazil-MRS Meeting will be held in Gramado (RS) from 24 to 28 10 to 14 September 2017.
Featured paper 

A study developed in Brazil by means of computer simulations showed that a defect in two-dimensional bismuth nanoribbon atom network generates conductive states in regions of the nanoribbons that should be in an insulating state. This work contributes to the study of a class of recently discovered materials, the topological insulators, and it was published in the scientific journal Nano Letters. See our story about the paper. 

People in the Materials Community
Professor Victor Carlos Pandolfelli (DEMa-UFSCar) was chosen to serve as one of the editors-in-chief of the journal Ceramics International (Elsevier). More.
Interviews with plenary speakers of the XV Brazil-MRS Meeting
Imagine yourself inserting in a computer the material properties you desire for a specific application and obtaining the project of the most appropriate material. This is a promise of Computational Materials Science, and it will be addressed by Prof. Susan Sinnott in a plenary lecture of the XV Brazil-MRS Meeting. Sinnott is Professor and Director of the Department of Materials Science and Engineering at Pennsylvania State University (USA) and editor-in-chief of the journal Computational Materials Science. Her scientific production, with more than 10,000 citations, includes important contributions to the development of simulation tools for heterogeneous material systems at the atomic scale. See our interview with the scientist. 


Reading tips

Research carried out with the participation of Brazilian scientists advances in the understanding of magnetic noise, which generates imperfections in magnetic materials applications (based on paper of Physical Review Letters). Here.

  • XV Brazil-MRS Meeting (XV Encontro da SBPMat). Campinas, SP (Brazil). September, 25 to 29, 2016. Site. 
  • Aerospace Technology 2016. Stockholm (Sweden). October, 11 to 12, 2016. Site.
  • AutoOrg 2016. 5th Meeting on self-assembly structures in solutions and at interfaces. Florianópolis, SC (Brazil). November, 2 to 4, 2016. Site. 
  • I Simpósio Nacional de Nanobiotecnologia; II Workshop de Nanobiotecnologia da UFMG – Avanços & Aplicações. Belo Horizonte, MG (Brazil). December, 1 to 2, 2016. Site.

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Interviews with plenary speakers of the XV Brazil-MRS Meeting: Susan Sinnott (Penn State, USA).

susan sinnottComputational methods make a difference when the challenge is to develop a new material for a given technology or to adjust material properties to fit a specific application.

In the end of September, the computational materials scientist Susan Sinnott will talk about this topic of her expertise in a plenary lecture at the XV Brazil-MRS Meeting. Sinnott is Professor and Department Head of Materials Science and Engineering at Pennsylvania State University (USA). She is also the editor-in-chief of “Computational Materials Science” (Elsevier).

Susan Sinnott received her B.S. degree in Chemistry (with honors) from the University of Texas in 1987 and her doctoral degree in Physical Chemistry from Iowa State University in 1993. Then she worked as a postdoctoral associate at the U.S. Naval Research Laboratory until 1995. After that, she became a faculty member of the University of Kentucky. In 2000, she began her tenure at the University of Florida (UF). In 2012, she was named the Alumni Professor of Materials Science and director of the Cyberinfrastructure for Atomistic Materials Science at UF. In 2013, she was president of the American Vacuum Society (AVS). In 2015, she joined the Pennsylvania State University (Penn State).

Susan Sinnott is the author of more than 210 refereed journal papers and 8 book chapters. She has over 10,000 citations and an h-index of 46, according to Google Scholar.

She is a Fellow of the Materials Research Society, American Physical Society, American Ceramic Society, American Vacuum Society, and American Association for the Advancement of Science.

In the XV Brazil-MRS Meeting, Susan Sinnott will not only deliver the plenary lecture “Role of Atomic-Scale Modeling in Materials Design and Discovery”, but also take part in the roundtable “Meet the editors” to discuss scientific publication issues. Besides her position as editor-in-chief of “Computational Materials Science”, this scientist serves as associate editor, principle editor and divisional associated editor for other journals.

Here follows a short interview with the scientist.

SBPMat newsletter: – In your opinion, what are your most significant contributions to the field of materials modeling?  Explain them very briefly and, if possible, share references of resulting publications or patents, products etc.

Susan Sinnott: – My research program uses computational atomistic methods to design and investigate materials. This area has seen tremendous growth in the last two decades because of a combination of factors, including the increasing availability and low cost of fast computers, the refinement of atomistic methods, the shrinking of device dimensions, and the improved ability of experimentalists to study materials at the nanometer scale. It approaches well-established continuum level modeling (such as finite element analysis) and fluid dynamics at high length scales (100s-1000s nanometers), and overlaps with traditional physics and chemistry at small length scales (1-10 nanometers).

A major contribution from my research group is the development of inventive methods to enable the modeling of new material systems at the atomic level. In particular, my collaborators and I developed a new empirical, reactive potential for molecular dynamics simulations that allows for the modeling of heterogeneous material systems at the atomic scale, something that has traditionally only been possible with computationally intensive first principles methods such as density functional theory. This method has allowed us to investigate such otherwise intractable problems as Cu thin film growth on ZnO surfaces, and model the catalytic activity of metal clusters on oxide surfaces. These potentials have been incorporated into an open-source massively parallel molecular dynamics software developed at Sandia National Laboratory to make them available to the modeling community.

Some relevant publications are:

  • “Simulating Multifunctional Structures”, S.R. Phillpot and S.B. Sinnott, Science 325, 1634-1635 (2009).
  • “Classical atomistic simulations of surfaces and heterogeneous interfaces with charge-optimized many body potentials”, T. Liang, T-R. Shan, Y.-T. Cheng, B.D. Devine, M. Noordhoek, Y. Li, Z. Lu, S.R. Phillpot, and S.B. Sinnott, Materials Science and Engineering Reports 74, 255-279 (2013).

SBPMat newsletter: – In the abstract of your plenary lecture, you mention the concept of “materials by design”. Could you explain this idea in a few words? Today, is “materials by design” a fact or a promise?

Susan Sinnott: – The ability to design a material with desired properties a priori using computational methods has been a promise of the field of computational materials science for many years. This promise relies on designing materials that do not currently exist or with properties that are desired from compositions that are largely unknown. The day that we can input the properties desired for a given part or device into a computer and have it predict the composition and microstructure or morphology needed to produce those properties has not yet arrived but remains the ultimate goal of “materials by design” initiatives. Currently, the integration of computational and experimental approaches is more complete than ever before. This enables computational materials science methods to make predictions that can be subsequently validated, and for experimental observations to be explained. Advances depend on continued improvements in the accuracy and predictability of computational methods along with continuing improvements in the linkages of the computational results to data from experimental characterization and production methods. An integral component to the new paradigm for materials design and discovery is the production and integration of datasets from calculations, simulations, experiments, or a combination of all of these. Therefore the seamless integration of database mining and materials informatics methods with conventional experimental and computational materials science methods is required. Lastly, the materials community must reach a critical comfort level and associated understanding of the strengths and limitations of coupling these methods so that such comparisons can be made on a routine basis.

A relevant paper that discusses these ideas in more detail is:

“Material design and discovery with computational materials science”, S.B. Sinnott, Journal of Vacuum Science and Technology A 31, 050812 (2013)

SBPMat newsletter: – If you desire, leave an invitation for our readers to go to your plenary lecture at the XV Brazil-MRS Meeting.

Susan Sinnott: – I invite you to find out more at my plenary lecture at the XV Brazil-MRS Meeting.

Link to the abstract of Susan Sinnott´s plenary lecture at the XV Brazil-MRS Meeting: http://sbpmat.org.br/15encontro/speakers/abstracts/10.pdf