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Lubrication Chemistry Viewed from DFT-Based Concepts and Electronic Structural Principles
Int. J. Mol. Sci. 2004, 5, 13-34 International Journal of Molecular Sciences ISSN 1422-0067 © 2004 by MDPI www.mdpi.org/ijms/ Lubrication Chemistry Viewed from DFT-Based Concepts and Electronic Structural Principles Li Shenghua*, Yang He and Jin Yuansheng State Key Laboratory of Tribology, Tsinghua University, Beijing 100084, P.R. China Tel.: +86 (10) 62772509, Fax: +86 (10) 62784691, E-mail: [email protected] URL: http://www.pim.tsinghua.edu.cn/sklt/sklt.html *Author to whom correspondence should be addressed. Received: 16 April 2003 / Accepted: 16 October 2003 / Published: 26 December 2003 Abstract: Fundamental molecular issues in lubrication chemistry were reviewed under categories of solution chemistry, contact chemistry and tribochemistry. By introducing the Density Functional Theory(DFT)-derived chemical reactivity parameters (chemical potential, electronegativity, hardness, softness and Fukui function) and related electronic structural principles (electronegativity equalization principle, hard-soft acid-base principle, and maximum hardness principle), their relevancy to lubrication chemistry was explored. It was suggested that DFT, theoretical, conceptual and computational, represents a useful enabling tool to understand lubrication chemistry issues prior to experimentation and the approach may form a key step in the rational design of lubrication chemistry via computational methods. It can also be optimistically anticipated that these considerations will gestate unique DFT-based strategies to understand sophisticated tribology themes, such as origin of friction, essence of wear, adhesion in MEMS/NEMS, chemical mechanical polishing in wafer manufacturing, stress corrosion, chemical control of friction and wear, and construction of designer tribochemical systems. Keywords: Lubrication chemistry, DFT, chemical reactivity indices, electronic structural principle, tribochemistry, mechanochemistry. -
Implementing NIR for Polymer Production Process Monitoring Dr
Implementing NIR for Polymer Production Process Monitoring Dr. Hari Narayanan, Senior Product Manager – Spectroscopy, Metrohm USA Inc Introduction while at the bench or pilot plant level it can be used to Polymers are a very important class of organic materials, optimize reaction conditions. Finally, when used in a widely used in many fields due to their unique properties complete feedback-control-loop at the industrial reactor such as tensile strength and viscoelastic behavior under level, significant improvement in product quality can be deformation. With more stringent demands on the quality expected, as well as savings of non-renewable resources, of polymer products and pressure to reduce cost in energy, reactor and personnel time. Creating an effective production and processing, the need for fast, accurate and NIR implementation strategy depends on the type of reliable monitoring methods is greater than ever. polymerization process, the properties of interest, and measurement conditions. Analytical methods, which require time-consuming and intensive sample preparation, are difficult to implement Polymerization Processes effectively in a process or quality control environment, NIR spectroscopy can be used for bulk, solution, emulsion and waste precious time and materials. Efficient process and suspension polymerization monitoring, providing control demands a measurement technique which is information on copolymer composition and distribution, rapid, requires little or no sample preparation and minimal monomer conversion, molecular weight averages, average technical expertise. It should be reliable, rugged and easily particle sizes and more. automated. Bulk polymerization Near-infrared (NIR) spectroscopy meets those needs by In bulk polymerization, the reaction is carried out in the being both rapid and precise. -
The Role of Nanotechnology in Chemical Substitution
EUROPEAN PARLIAMENT Scientific Technology Options Assessment S T O A The role of Nanotechnology in Chemical Substitution STUDY IPOL/A/STOA/ST/2006-029 PE 383.212 This project was commissioned by STOA under Framework Contract IP/A/STOA/FWC/2005-28). The associated workshop, "The Role of Nanotechnology in Chemical Substitution" was organised by the European Parliament in Brussels on 13 September 2006. Only published in English. Authors: ETAG European Technology Assessment Group Institute for Technology Assessment and Systems Analysis (ITAS), Karlsruhe Danish Board of Technology (DBT), Copenhagen Flemish Institute for Science and Technology Assessment (viWTA), Brussels Parliamentary Office of Science and Technology (POST), London Rathenau Institute, The Hague Dr. Ulrich Fiedeler, ITAS E-mail: [email protected] Administrator: Mr. Miklos Györffi Policy Department A: Economic and Scientific Policy DG Internal Policies European Parliament Rue Wiertz 60 - ATR 00K076 B-1047 Brussels Tel: +32 (0)2 283 25 05 Fax: +32 (0)2 284 49 84 E-mail: [email protected] Manuscript completed in April 2007. The opinions expressed in this document do not necessarily represent the official position of the European Parliament. Reproduction and translation for non-commercial purposes are authorised provided the source is acknowledged and the publisher is given prior notice and receives a copy. E-mail: poldep- [email protected]. IP/A/STOA/ST/2006-029 PE 383.212 TABLE OF CONTENTS 1 EXECUTIVE SUMMARY..............................................................................................................ii -
Chemical Engineering Curriculum
CHEMICAL ENGINEERING CURRICULUM Fall Term Spring Term First Year EGGG 101 Introduction to Engineering (FYE) 2 CHEG 112 Introduction to Chemical Engineering 3 CHEM 111 General Chemistry 3 CHEM 112 General Chemistry 3 MATH 242 Analytic Geometry & Calculus B 4 MATH 243 Analytic Geometry & Calculus C 4 CISC 106 General Computer Science for Engineers 3 PHYS 207 Fundamentals of Physics I 4 ENGL 110 Critical Reading and Writing 3 Breadth Requirement Elective 1 3 15 17 Second Year CHEG 231 Chemical Engineering Thermodynamics 3 CHEG 325 Chemical Engineering Thermodynamics 3 CHEM 220 Quantitative Analysis 3 CHEG 304 Random Variability in Chemical Processes 3 CHEM 221 Quantitative Analysis Laboratory 1 CHEM 444 Physical Chemistry 3 PHYS 208 Fundamentals of Physics II 4 CHEM 445 Physical Chemistry Laboratory ( a ) 0/1 MSEG 302 Materials Science for Engineers 3 MATH 305 Applied Math for Chemical Engineering 3 Breadth Requirement Elective 2 3 Breadth Requirement Elective 3 3 17 15/16 Third Year CHEG 332 Chemical Engineering Kinetics 3 CHEG 342 Heat and Mass Transfer 3 CHEG 341 Fluid Mechanics 3 CHEG 345 Chemical Engineering Laboratory I 3 CHEM 331 Organic Chemistry I 3 CHEM 332 Organic Chemistry ( b ) or 3 CHEM 333 Organic Chemistry Laboratory 1/2 CHEM 527 Introduction to Biochemistry Technical Elective 1 3 Breadth Requirement Elective 4 3 Technical Elective 2 3 CHEG Elective 1 3 16/17 15 Fourth Year CHEG 431 Chemical Process Design 1 3 CHEG 432 Chemical Process Design 2 (DLE) 3 CHEG 401 Chemical Process Dynamics and Control 3 CHEG Elective 3 3 CHEG 445 Chemical Engineering Laboratory II 3 Technical Elective 3 3 CHEG Elective 2 3 Technical Elective 4 or CHEG Elective 4 3 Breadth Requirement Elective 5 3 Breadth Requirement Elective 6 3 15 15 Total Credit Hours 126 ( a ) If CHEM 333 is taken for two credits, CHEM 445 is not required. -
The Use of Artificial Intelligence in Tribology—A Perspective
lubricants Perspective The Use of Artificial Intelligence in Tribology—A Perspective Andreas Rosenkranz 1,*, Max Marian 2,* , Francisco J. Profito 3, Nathan Aragon 4 and Raj Shah 4 1 Department of Chemical Engineering, Biotechnology and Materials, University of Chile, Santiago 7820436, Chile 2 Engineering Design, Friedrich-Alexander-University Erlangen-Nuremberg (FAU), 91058 Erlangen, Germany 3 Department of Mechanical Engineering, Polytechnic School, University of São Paulo, São Paulo 17033360, Brazil; fprofi[email protected] 4 Koehler Instrument Company, Holtsville, NY 11742, USA; [email protected] (N.A.); [email protected] (R.S.) * Correspondence: [email protected] (A.R.); [email protected] (M.M.) Abstract: Artificial intelligence and, in particular, machine learning methods have gained notable attention in the tribological community due to their ability to predict tribologically relevant pa- rameters such as, for instance, the coefficient of friction or the oil film thickness. This perspective aims at highlighting some of the recent advances achieved by implementing artificial intelligence, specifically artificial neutral networks, towards tribological research. The presentation and discussion of successful case studies using these approaches in a tribological context clearly demonstrates their ability to accurately and efficiently predict these tribological characteristics. Regarding future research directions and trends, we emphasis on the extended use of artificial intelligence and machine learning concepts in the field of tribology including the characterization of the resulting surface topography and the design of lubricated systems. Keywords: artificial intelligence; machine learning; artificial neural networks; tribology 1. Introduction and Background Citation: Rosenkranz, A.; Marian, M.; There have been very recent advances in applying methods of deep or machine Profito, F.J.; Aragon, N.; Shah, R. -
TRIBOLOGY Lecture 3: FRICTION
Video Course on Tribology Prof. Dr Harish Hirani Department of Mechanical Engineering Indian institute of Technology, Delhi Lecture No. # 03 Friction Welcome to the third lecture of video course on Tribology. Topic of this lecture is friction. It is interesting. We experience friction in day to day life when you walk we experience friction, when we cycle we experience friction, when we drive we experience friction. This is very common mode which we experience every day. TRIBOLOGY Lecture 3: FRICTION And often when you go to mall, we find this kind of signal or warning that slippery when the floor is wet. So, you need to be careful when you walk resending the water place as lubricant layer. Some Typical Values of Coefficient of Friction for Metals sliding on themselves Metals Sliding on themselves µ Aluminum 1.5 Copper 1.5 Copper((oxide film not penetrated) 0.5 Gold 2.5 Iron 1.2 Platinum 3 Silver 1.5 Steel(mild steel) 0.8 Steel(tool steel) 0.4 Observations: 1. μ > 1.0 2. Mild steel vs Tool steel 3. μ depends on environment. And it reduces the friction. So, we need to walk with more force. So, the overall the friction force turn out to be same. I have gone through number of books and found number of variation in coefficient of friction. So, I am just showing on the first slide of this course that typical value of coefficient friction which is often quoted in books. We say these values are static coefficient of friction or this value belongs to static coefficient of friction. -
MSE 403: Ceramic Materials
MSE 403: Ceramic Materials Course description: Processing, characteristics, microstructure and properties of ceramic materials. Number of credits: 3 Course Coordinator: John McCloy Prerequisites by course: MSE 201 Prerequisites by topic: 1. Basic knowledge of thermodynamics. 2. Elementary crystallography and crystal structure. 3. Mechanical behavior of materials. Postrequisites: None Textbooks/other required 1. Carter, C.B. and Norton, M.G. Ceramic Materials Science and Engineering, materials: Springer, 2007. Course objectives: 1. Review of crystallography and crystal structure. 2. Review of structure of atoms, molecules and bonding in ceramics. 3. Discussion on structure of ceramics. 4. Effects of structure on physical properties. 5. Ceramic Phase diagrams. 6. Discussion on defects in ceramics. 7. Introduction to glass. 8. Discussion on processing of ceramics. 9. Introduction to sintering and grain growth. 10. Introduction to mechanical properties of ceramics. 11. Introduction to electrical properties of ceramics. 12. Introduction to bioceramics. 13. Introduction to magnetic ceramics. Topics covered: 1. Introduction to crystal structure and crystallography. 2. Fundamentals of structure of atoms. 3. Structure of ceramics and its influence on properties. 4. Binary and ternary phase diagrams. 5. Point defects in ceramics. 6. Glass and glass-ceramic composites. 7. Ceramics processing and sintering. 8. Mechanical properties of ceramics. 9. Electrical properties of ceramics. 10. Bio-ceramics. 11. Ceramic magnets. Expected student outcomes: 1. Knowledge of crystal structure of ceramics. 2. Knowledge of structure-property relationship in ceramics. 3. Knowledge of the defects in ceramics (Point defects). 4. Knowledge of glass and glass-ceramic composite materials. 5. Introductory knowledge on the processing of bulk ceramics. 6. Applications of ceramic materials in structural, biological and electrical components. -
CHEMICAL REACTION ENGINEERING* Current Status and Future Directions
[eJij9iviews and opinions CHEMICAL REACTION ENGINEERING* Current Status and Future Directions M. P. DUDUKOVIC and petrochemical industry provided a fertile ground Washington University for further development of reaction engineering con St. Louis, MO 63130 cepts. The final cornerstone of this new discipline was laid in 1957 by the First Symposium on Chemical HEMICAL REACTIONS have been used by man Reaction Engineering [3] which brought together and C kind since time immemorial to produce useful synthesized the European point of view. The Amer products such as wine, metals, etc. Nevertheless, the ican and European schools of thought were not identi unifying principles that today we call chemical reac cal, but in time they converged into the subject matter tion engineering were not developed until relatively a that we know today as chemical reaction engineering, short time ago. During the decade of the 1940's (not or CRE. The above chronology led to the establish even half a century ago!) a transition was made from ment of CRE as an accepted discipline over the span descriptive industrial chemistry to the conceptual un of a decade and a half. This does not imply that all the ification of reaction processes and reactor types. The principles important in CRE were discovered then. pioneering work in this area of industrial practice was The foundation for CRE had already been established done by Denbigh [1] in England. Then in 1947, by the early work of Frank-Kamenteski, Damkohler, Hougen and Watson [2] published the first textbook Zeldovitch, etc., but at that time they represented in the U.S. -
Materials Science and Engineering 1
Materials Science and Engineering 1 EN.515.603. Materials Characterization. 3 Credits. MATERIALS SCIENCE AND This course will describe a variety of techniques used to characterize the structure and composition of engineering materials, including metals, ENGINEERING ceramics, polymers, composites, and semiconductors. The emphasis will be on microstructural characterization techniques, including optical The Materials Science and Engineering Program for professionals allows and electron microscopy, x-ray diffraction, and acoustic microscopy. students to take courses that address current and emerging areas Surface analytical techniques, including Auger electron spectroscopy, critical to the development and use of biomaterials, electronic materials, secondary ion mass spectroscopy, x-ray photoelectron spectroscopy, structural materials, nanomaterials and nanotechnology, and related and Rutherford backscattering spectroscopy. Real-world examples of materials processing technologies. Students in this program gain an materials characterization will be presented throughout the course, advanced understanding of foundational concepts and are exposed to including characterization of thin films, surfaces, interfaces, and single the latest research that is driving materials-related advances. crystals. Courses are offered at the Applied Physics Laboratory, the Homewood EN.515.605. Electrical, Optical and Magnetic Properties. 3 Credits. campus, and online. An overview of electrical, optical and magnetic properties arising from the fundamental electronic and atomic structure of materials. Continuum materials properties are developed through examination of microscopic Program Committee processes. Emphasis will be placed on both fundamental principles and James Spicer, Program Chair applications in contemporary materials technologies.Course Note(s): Principal Professional Staff Please note that this 515 course is also listed as a 510 course in the full- JHU Applied Physics Laboratory time program. -
Static Friction at Fractal Interfaces
Dorian Hanaor, Yixiang Gan and Itai Einav (2016). Static friction at fractal interfaces. Tribology International, 93, 229-238. DOI: 10.1016/j.triboint.2015.09.016 Static friction at fractal interfaces Dorian A. H. Hanaor, Yixiang Gan, Itai Einav School of Civil Engineering, University of Sydney, NSW 2006, Australia https://doi.org/10.1016/j.triboint.2015.09.016 Abstract: Tribological phenomena are governed by combined effects of material properties, topology and surface- chemistry. We study the interplay of multiscale-surface-structures with molecular-scale interactions towards interpreting static frictional interactions at fractal interfaces. By spline-assisted-discretization we analyse asperity interactions in pairs of contacting fractal surface profiles. For elastically deforming asperities, force analysis reveals greater friction at surfaces exhibiting higher fractality, with increasing molecular-scale friction amplifying this trend. Increasing adhesive strength yields higher overall friction at surfaces of lower fractality owing to greater true-contact-area. In systems where adhesive-type interactions play an important role, such as those where cold-welded junctions form, friction is minimised at an intermediate value of surface profile fractality found here to be in the regime 1.3-1.5. Our results have implications for systems exhibiting evolving surface structures. Keywords: Contact mechanics, friction, fractal, surface structures 1 Dorian Hanaor, Yixiang Gan and Itai Einav (2016). Static friction at fractal interfaces. Tribology -
Biological Materials: a Materials Science Approach✩
JOURNALOFTHEMECHANICALBEHAVIOROFBIOMEDICALMATERIALS ( ) ± available at www.sciencedirect.com journal homepage: www.elsevier.com/locate/jmbbm Review article Biological materials: A materials science approachI Marc A. Meyers∗, PoYu Chen, Maria I. Lopez, Yasuaki Seki, Albert Y.M. Lin University of California, San Diego, La Jolla, CA, United States ARTICLEINFO ABSTRACT Article history: The approach used by Materials Science and Engineering is revealing new aspects Received 25 May 2010 in the structure and properties of biological materials. The integration of advanced Received in revised form characterization, mechanical testing, and modeling methods can rationalize heretofore 20 August 2010 unexplained aspects of these structures. As an illustration of the power of this Accepted 22 August 2010 methodology, we apply it to biomineralized shells, avian beaks and feathers, and fish scales. We also present a few selected bioinspired applications: Velcro, an Al2O3PMMA composite inspired by the abalone shell, and synthetic attachment devices inspired by gecko. ⃝c 2010 Elsevier Ltd. All rights reserved. Contents 1. Introduction and basic components ............................................................................................................................................. 1 2. Hierarchical nature of biological materials ................................................................................................................................... 3 3. Structural biological materials..................................................................................................................................................... -
Polymers: a Historical Perspective
Journal & Proceedings of the Royal Society of New South Wales, vol. 152, part 2, 2019, pp. 242–250. ISSN 0035-9173/19/020242-09 Polymers: a historical perspective Robert Burford, FRSN Emeritus Professor, School of Chemical Engineering, UNSW Sydney Email: [email protected] Abstract This commissioned paper outlines the emergence of new forms of synthetics and plastics as our under- standing of polymer chemistry has advanced. Synopsis phenols and styrene are “polymerised” to olymers have been ubiquitous since form thermosets,1 including phenol for- simple gaseous molecules began to form maldehyde “Bakelite” thermosets, but are P 2 life-giving organic structures many millions also present in thermoplastics including of years ago. Today, we rely upon proteins polystyrene and related materials such as comprising twenty amino acids, as well as styrene acrylonitrile (SAN) and ABS.3 The DNA and RNA with many fewer nucleic manufacture of Bakelite is often viewed as acids. Similarly, many fibres and plants the birth of the synthetic polymer industry. comprise carbohydrate polymers: we and The enormous growth both in diversity and other animals use these and protein-based volume of thermoplastics is a feature of the polymers for our diet. Hence, organic earth’s 20th century, dismissively called the “plastics surface has an enormous diversity of natu- age.” Again, important but sometimes ser- rally occurring polymers, sometimes called endipitous discoveries are a feature of this macromolecules. period, but the associated large-scale produc- Today, these continue to feed and clothe tion introduced multinational corporations us, and much more, but the beginning of originating mainly in Europe, the US and man-made materials might be considered Japan.