scholarly journals Materials informatics and sustainability—The case for urgency

2021 ◽  
Vol 2 ◽  
Author(s):  
Hannah R. Melia ◽  
Eric S. Muckley ◽  
James E. Saal
Keyword(s):  
Data Science ◽  
Materials Science ◽  
Advanced Materials ◽  
Materials Informatics ◽  
Design Development ◽  
Cultural Resistance ◽  
Scientific Methods ◽  
Skill Gaps ◽  
Digital Twins ◽  
Global Environmental

Abstract The development of transformative technologies for mitigating our global environmental and technological challenges will require significant innovation in the design, development, and manufacturing of advanced materials and chemicals. To achieve this innovation faster than what is possible by traditional human intuition-guided scientific methods, we must transition to a materials informatics-centered paradigm, in which synergies between data science, materials science, and artificial intelligence are leveraged to enable transformative, data-driven discoveries faster than ever before through the use of predictive models and digital twins. While materials informatics is experiencing rapidly increasing use across the materials and chemicals industries, broad adoption is hindered by barriers such as skill gaps, cultural resistance, and data sparsity. We discuss the importance of materials informatics for accelerating technological innovation, describe current barriers and examples of good practices, and offer suggestions for how researchers, funding agencies, and educational institutions can help accelerate the adoption of urgently needed informatics-based toolsets for science in the 21st century.

Data-driven visualization schema of a materials informatics curriculum: Convergence of materials science and information science

MRS Advances ◽  
2020 ◽  
Vol 5 (7) ◽  
pp. 293-303
Author(s):  
Erik Einarsson ◽  
Olga Wodo ◽  
Prathima C. Nalam ◽  
Scott R. Broderick ◽  
Kristofer G. Reyes ◽  
...  
Keyword(s):  
Data Science ◽  
Information Science ◽  
Materials Science ◽  
Student Assessment ◽  
Critical Element ◽  
Illustrative Case ◽  
Materials Informatics ◽  
Curriculum Assessment ◽  
Illustrative Case Study

AbstractIn addition to student assessment, curriculum assessment is a critical element to any pedagogy. It helps the educator assess the teaching of concepts, determine what may be lacking, and make changes for continual improvement. Meaningful assessment can be complicated when disciplines converge or when new approaches are implemented. To facilitate this, we present a network-based visualization schema to represent a materials informatics curriculum that combines materials science and data science concepts. We analyze the curriculum using network representations and relevant concepts from graph theory. This reveals established connections, linkages between materials science and data science, and the extent to which different concepts are connected. We also describe how some materials science topics are introduced from a data perspective, and present an illustrative case study from the curriculum.

Intellectual Community as a Bridge of Interdisciplinary Graduate Education in Materials Data Science

MRS Advances ◽  
2020 ◽  
Vol 5 (7) ◽  
pp. 355-362
Author(s):  
Chi-Ning Chang ◽  
Clinton A. Patterson ◽  
Willie C. Harmon ◽  
Debra A. Fowler ◽  
Raymundo Arroyave
Keyword(s):  
Data Science ◽  
Graduate Program ◽  
Materials Science ◽  
Training Model ◽  
Materials Informatics ◽  
Materials Development ◽  
Intellectual Community ◽  
Interdisciplinary Learning ◽  
Interdisciplinary Approaches ◽  
Materials Genome

AbstractRecognizing materials development was advancing slower than technological needs, the 2011 the Materials Genome Initiative (MGI) advocated interdisciplinary approaches employing an informatics framework in materials discovery and development. In response, an interdisciplinary graduate program, funded by the National Science Foundation, was designed at the intersection of materials science, materials informatics, and engineering design, aiming to equip the next generation of scientists and engineers with Material Data Science. Based on the 4- year implementation experience, this report demonstrates how intellectual communities bridge students interdisciplinary learning processes and support a transition from disciplinary grounding to interdisciplinary learning and research. We hope this training model can benefit other interdisciplinary graduate programs, and produce a more productive and interdisciplinary materials workforce.

Merging Materials and Data Science: Opportunities, Challenges, and Education in Materials Informatics

MRS Advances ◽  
2020 ◽  
Vol 5 (7) ◽  
pp. 329-346 ◽  
Author(s):  
Thomas J. Oweida ◽  
Akhlak Mahmood ◽  
Matthew D. Manning ◽  
Sergei Rigin ◽  
Yaroslava G. Yingling
Keyword(s):  
Data Science ◽  
Materials Science ◽  
Optimization Techniques ◽  
Materials Informatics ◽  
Science And Engineering ◽  
Educational Challenges ◽  
Engineering Problems ◽  
Materials Science And Engineering ◽  
Materials Genome ◽  
Materials Genome Initiative

ABSTRACTSince the launch of the Materials Genome Initiative (MGI) the field of materials informatics (MI) emerged to remove the bottlenecks limiting the pathway towards rapid materials discovery. Although the machine learning (ML) and optimization techniques underlying MI were developed well over a decade ago, programs such as the MGI encouraged researchers to make the technical advancements that make these tools suitable for the unique challenges in materials science and engineering. Overall, MI has seen a remarkable rate in adoption over the past decade. However, for the continued growth of MI, the educational challenges associated with applying data science techniques to analyse materials science and engineering problems must be addressed. In this paper, we will discuss the growing use of materials informatics in academia and industry, highlight the need for educational advances in materials informatics, and discuss the implementation of a materials informatics course into the curriculum to jump-start interested students with the skills required to succeed in materials informatics projects.

scholarly journals Enabling deeper learning on big data for materials informatics applications

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Dipendra Jha ◽  
Vishu Gupta ◽  
Logan Ward ◽  
Zijiang Yang ◽  
Christopher Wolverton ◽  
...  
Keyword(s):  
Neural Networks ◽  
Big Data ◽  
Deep Learning ◽  
Deep Neural Networks ◽  
Materials Science ◽  
Prediction Models ◽  
Model Performance ◽  
Materials Informatics ◽  
Learning Framework ◽  
Significant Attention

AbstractThe application of machine learning (ML) techniques in materials science has attracted significant attention in recent years, due to their impressive ability to efficiently extract data-driven linkages from various input materials representations to their output properties. While the application of traditional ML techniques has become quite ubiquitous, there have been limited applications of more advanced deep learning (DL) techniques, primarily because big materials datasets are relatively rare. Given the demonstrated potential and advantages of DL and the increasing availability of big materials datasets, it is attractive to go for deeper neural networks in a bid to boost model performance, but in reality, it leads to performance degradation due to the vanishing gradient problem. In this paper, we address the question of how to enable deeper learning for cases where big materials data is available. Here, we present a general deep learning framework based on Individual Residual learning (IRNet) composed of very deep neural networks that can work with any vector-based materials representation as input to build accurate property prediction models. We find that the proposed IRNet models can not only successfully alleviate the vanishing gradient problem and enable deeper learning, but also lead to significantly (up to 47%) better model accuracy as compared to plain deep neural networks and traditional ML techniques for a given input materials representation in the presence of big data.

scholarly journals Hydropower, Geothermal, and Ocean Energy

MRS Bulletin ◽  
2008 ◽  
Vol 33 (4) ◽  
pp. 389-395 ◽  
Author(s):  
Ralph E.H. Sims
Keyword(s):  
Renewable Energy ◽  
Large Scale ◽  
New Technologies ◽  
Materials Science ◽  
Development Stage ◽  
Design Development ◽  
Ocean Energy ◽  
Improve Design ◽  
And Performance ◽  
Improve Reliability

AbstractSome forms of renewable energy have long contributed to electricity generation, whereas others are just emerging. For example, large-scale hydropower is a mature technology generating about 16% of global electricity, and many smaller scale systems are also being installed worldwide. Future opportunities to improve the technology are limited but include upgrading of existing plants to gain greater performance efficiencies and reduced maintenance. Geothermal energy, widely used for power generation and direct heat applications, is also mature, but new technologies could improve plant designs, extend their lifetimes, and improve reliability. By contrast, ocean energy is an emerging renewable energy technology. Design, development, and testing of a myriad of devices remain mainly in the research and development stage, with many opportunities for materials science to improve design and performance, reduce costly maintenance procedures, and extend plant operating lifetimes under the harsh marine environment.

scholarly journals Up Close: Center for Advanced Materials at Lawrence Berkeley Laboratory

MRS Bulletin ◽  
1986 ◽  
Vol 11 (4) ◽  
pp. 27-27 ◽  
Author(s):  
John J. Gilman
Keyword(s):  
Materials Science ◽  
Magnetic Moments ◽  
National Laboratory ◽  
National Policy ◽  
Chemical Properties ◽  
Educational Process ◽  
University Of California ◽  
Advanced Materials ◽  
Lawrence Berkeley Laboratory ◽  
The University

The boundaries between the present performance of materials and the requirements of device designers have for centuries been moving forward. The steps taken to draw these two together are sometimes large; more often they are small. As they occur, we find materials that are stronger, have larger magnetic moments, have higher electron mobilities, etc. Each time the property profile improves, understanding of the physical and chemical properties advances, and new engineering devices based on the improved profile are invented and developed.The purpose of the Center for Advanced Materials (CAM) at the Lawrence Berkeley Laboratory (LBL) is to enhance the inter-play between advances in the property profiles of materials and advances in the chemical and physical understanding of them. For this purpose, the location of CAM can be described as ideal. The proximity of this national laboratory to the campus of the University of California at Berkeley provides an unusually rich intellectual setting for the Center. It also provides unique opportunities for the University students and faculty who conduct materials-related research. Indeed, the arrangement should be a model for similar organizations, and it represents a solid method for strengthening materials science and technology throughout the nation.National policy in critical materials has given the national laboratories—including LBL—strong direction and incentive to collaborate with industry and the research universities. This incentive led to the establishment of CAM in order to build on the symbiosis between LBL and the University of California at Berkeley. It strives to extend this symbiosis by bringing industry into the ongoing educational process and by making its special facilities more readily available to industrial researchers.

Materials Science vs. Data Science

2019 ◽  
pp. 3-12
Author(s):  
Jeffrey P. Simmons ◽  
Lawrence F. Drummy ◽  
Charles A. Bouman ◽  
Marc De Graef
Keyword(s):  
Data Science ◽  
Materials Science

scholarly journals Fabien Girardin (English version)

Mosaic ◽  
2012 ◽  
Author(s):  
Paco González
Keyword(s):  
User Experience ◽  
Data Science ◽  
Research Practice ◽  
Design Development ◽  
English Version ◽  
Urban Informatics ◽  
Near Future

Fabien Girardin is a co-founder of the Near Future Laboratory a thinking, making, design, development and research practice speculating on the near future possibilities for digital worlds. He is active in the domains of user experience, data science and urban informatics.

Five-Membered Hetarene N-Oxides: Recent Advances in Synthesis and Reactivity

Synthesis ◽  
2021 ◽  
Author(s):  
Leonid Fershtat ◽  
Fedor Teslenko
Keyword(s):  
Transition Metal ◽  
Medicinal Chemistry ◽  
Materials Science ◽  
State Of The Art ◽  
Short Review ◽  
Advanced Materials ◽  
Metal Free ◽  
Recent Advances ◽  
Application Potential ◽  
Metal Catalyzed

Five-membered heterocyclic N-oxides attracted special attention due to their strong application potential in medicinal chemistry and advanced materials science. In this regard, novel methods for their synthesis and functionalization are constantly required. In this short review, recent state-of-the-art achievements in the chemistry of isoxazoline N-oxides, 1,2,3-triazole 1-oxides and 1,2,5-oxadiazole 2-oxides are briefly summarized. Main routes to transition-metal-catalyzed and metal-free functionalization protocols along with mechanistic considerations are outlined. Transformation patterns of the hetarene N-oxide rings as precursors to other nitrogen heterocyclic systems are also presented.

Development of Ips Learning Module Based on Islamic Integration and Science In Grade VII Students SMP Muhammadiyah Enrekang

2021 ◽  
Vol 8 (1) ◽  
pp. 1
Author(s):  
Tri Wijaya Darwis ◽  
Muhammad Ibrahim ◽  
Suparman Suparman ◽  
Putriyani Samsul
Keyword(s):  
Learning Outcomes ◽  
Materials Science ◽  
Field Tests ◽  
Design Development ◽  
Development Models ◽  
Post Test ◽  
Development Approach ◽  
High Level ◽  
Module Development ◽  
Expert Validation

The IPS module development based on Islamic integration and science in SMP Muhammadiyah Enrekang based on: First, no SCIENCE teaching materials have the concept of Islamic integration and science. Second, no teaching material guides students to obtain IPS' idea confidence in Allah SWT. Third, the results of studying IPS are some students who have not achieved KKM scores. The purpose of this development are to: (1) design the of Islamic-based IPS modules and human materials science, place and environment in grade VII students of SMP Muhammadiyah Enrekang, (2) explain the effectiveness Islamic-based IPS modules to improve learning outcomes. This research used a Research and Development approach with ADDIE (Analysis, Design, Development, Implementation, and Evaluation) development models. An explanation of the module's level of interest was used in the questionnaire tested in the experiment class. Meanwhile, the influence of modules on improving students' learning outcomes uses pre-test post-test control design groups. The development results showed that: (1) specifications of IPS modules based on Islamic integration and science in the form of print media. This module developed using evidence sourced from the Qur'an. The learning results intended to achieve 2013 curriculum and as a means for students to increase their confidence in Allah SWT through integration with the evidence of the Qur'an; (2) the effectiveness and convenience of IPS module based on Islamic integration and science showed that this module has a high level of feasibility, effectiveness, and interest. 84% level material validation results evidence this, 71% level learning expert validation, 95% level language validation, 90% learning expert validation. The results of field tests on grade VII students of SMP Muhammadiyah Enrekang showed a high level of effectiveness through the works of independent sample t-test obtained t count=6.41and t tabel=2.0322. Because of the t count > table, Ho is rejected, and Ha is accepted

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