Alejandro Strachan
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Alejandro Strachan
Alejandro Strachan is a scientist in the field of computational materials and a professor of materials engineering at Purdue University. Before joining Purdue University, he was a staff member at Los Alamos National Laboratory. Education Strachan studied physics at the University of Buenos Aires, Argentina. He received his master's of science there in 1995, followed by his PhD in 1998. He then moved to Caltech, first as a postdoctoral scholar and then as a research scientist until 2002. Research and career Strachan became a staff scientist in the Theoretical Division of Los Alamos National Laboratory in 2002, staying until becoming a faculty member at Purdue in 2005. He became a full professor in 2013. Strachan's research focuses on the development of predictive atomistic and molecular simulation methodologies to describe materials, primarily density functional theory and molecular dynamics. With these methods he studies problems of technological importance including coupl ...
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University Of Buenos Aires
The University of Buenos Aires ( es, Universidad de Buenos Aires, UBA) is a public university, public research university in Buenos Aires, Argentina. Established in 1821, it is the premier institution of higher learning in the country and one of the most prestigious universities of Ibero-America. It has educated 17 President of Argentina, Argentine presidents, produced four of the country's five Nobel Prize laureates, and is responsible for approximately 40% of the country's research output. The ''QS World University Rankings'' currently places the UBA at number 67, the highest ranking university in the Spanish-speaking world. The university's academic strength and regional leadership make it attractive to many international students, especially at the postgraduate level. Just over 4 percent of undergraduates are foreigners, while 15 percent of postgraduate students come from abroad. The Faculty of Economic Sciences, University of Buenos Aires, Faculty of Economic Sciences has t ...
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Polymers
A polymer (; Greek '' poly-'', "many" + ''-mer'', "part") is a substance or material consisting of very large molecules called macromolecules, composed of many repeating subunits. Due to their broad spectrum of properties, both synthetic and natural polymers play essential and ubiquitous roles in everyday life. Polymers range from familiar synthetic plastics such as polystyrene to natural biopolymers such as DNA and proteins that are fundamental to biological structure and function. Polymers, both natural and synthetic, are created via polymerization of many small molecules, known as monomers. Their consequently large molecular mass, relative to small molecule compounds, produces unique physical properties including toughness, high elasticity, viscoelasticity, and a tendency to form amorphous and semicrystalline structures rather than crystals. The term "polymer" derives from the Greek word πολύς (''polus'', meaning "many, much") and μέρος (''meros'', meani ...
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Materials Scientists And Engineers
Material is a substance or mixture of substances that constitutes an object. Materials can be pure or impure, living or non-living matter. Materials can be classified on the basis of their physical and chemical properties, or on their geological origin or biological function. Materials science is the study of materials, their properties and their applications. Raw materials can be processed in different ways to influence their properties, by purification, shaping or the introduction of other materials. New materials can be produced from raw materials by synthesis. In industry, materials are inputs to manufacturing processes to produce products or more complex materials. Historical elements Materials chart the history of humanity. The system of the three prehistoric ages (Stone Age, Bronze Age, Iron Age) were succeeded by historical ages: steel age in the 19th century, polymer age in the middle of the following century (plastic age) and silicon age in the second half of the 20 ...
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Engineering Educators
Engineering is the use of scientific principles to design and build machines, structures, and other items, including bridges, tunnels, roads, vehicles, and buildings. The discipline of engineering encompasses a broad range of more specialized fields of engineering, each with a more specific emphasis on particular areas of applied mathematics, applied science, and types of application. See glossary of engineering. The term ''engineering'' is derived from the Latin ''ingenium'', meaning "cleverness" and ''ingeniare'', meaning "to contrive, devise". Definition The American Engineers' Council for Professional Development (ECPD, the predecessor of ABET) has defined "engineering" as: The creative application of scientific principles to design or develop structures, machines, apparatus, or manufacturing processes, or works utilizing them singly or in combination; or to construct or operate the same with full cognizance of their design; or to forecast their behavior under specifi ...
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Purdue University Faculty
Purdue University is a public land-grant research university in West Lafayette, Indiana, and the flagship campus of the Purdue University system. The university was founded in 1869 after Lafayette businessman John Purdue donated land and money to establish a college of science, technology, and agriculture in his name. The first classes were held on September 16, 1874, with six instructors and 39 students. It has been ranked as among the best public universities in the United States by major institutional rankings, and is renowned for its engineering program. The main campus in West Lafayette offers more than 200 majors for undergraduates, over 70 masters and doctoral programs, and professional degrees in pharmacy, veterinary medicine, and doctor of nursing practice. In addition, Purdue has 18 intercollegiate sports teams and more than 900 student organizations. Purdue is the founding member of the Big Ten Conference and enrolls the largest student body of any individual univer ...
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Modelling And Simulation In Materials Science And Engineering
''Modelling and Simulation in Materials Science and Engineering'' is a peer-reviewed scientific journal published by the IOP Publishing eight times per year. The journal covers computational materials science including properties, structure, and behavior of all classes of materials at scales from the atomic to the macroscopic. This includes electronic structure/properties of materials determined by ab initio and/or semi-empirical methods, atomic level properties of materials, microstructural level phenomena, continuum-level modelling pertaining to material behaviour, and modelling behaviour in service. Mechanical, microstructural, electronic, chemical, biological, and optical properties of materials are also of interest. The editors-in-chief An editor-in-chief (EIC), also known as lead editor or chief editor, is a publication's editorial leader who has final responsibility for its operations and policies. The highest-ranking editor of a publication may also be titled editor, man ...
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Mark Lundstrom
Mark S. Lundstrom is an American electrical engineering researcher, educator, and author. He is known for contributions to the theory, modeling, and understanding of semiconductor devices, especially nanoscale transistors, and as the creator of the nanoHUB, a major online resource for nanotechnology. Lundstrom is Don and Carol Scifres Distinguished Professor of Electrical and Computer Engineering and in 2020 served as Acting Dean of the College of Engineering at Purdue University, in West Lafayette, Indiana. Early life and education Lundstrom was born and grew up in Alexandria, Minnesota and graduated from high school in 1969. He received his BEE from the University of Minnesota in 1973. As an undergraduate student, he was introduced to research by working in the laboratory of Aldert van der Ziel. Lundstrom received an MSEE degree from the University of Minnesota in 1974 for research on surface acoustic wave devices. He was a Member of the Technical Staff at Hewlett Packard Corpo ...
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ReaxFF
ReaxFF (for “reactive force field”) is a bond order-based force field developed by Adri van Duin, William A. Goddard, III, and co-workers at the California Institute of Technology. One of its applications is molecular dynamics simulations. Whereas traditional force fields are unable to model chemical reactions because of the requirement of breaking and forming bonds (a force field's functional form depends on having all bonds defined explicitly), ReaxFF eschews explicit bonds in favor of bond orders, which allows for continuous bond formation/breaking. ReaxFF aims to be as general as possible and has been parameterized and tested for hydrocarbon reactions, alkoxysilane gelation, transition-metal-catalyzed nanotube formation, and many advanced material applications such as Li ion batteries, TiO2, polymers, and high-energy materials. To be able to deal with bond breaking and formation whilst having only 1 single atom type for each element, ReaxFF is a fairly complex force field ...
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Gerhard Klimeck
Gerhard Klimeck is a German-American scientist and author in the field of nanotechnology. He is a professor of Electrical and Computer Engineering at Purdue University School of Electrical and Computer Engineering. As the director of nanoHUB, he conducts the technical developments and strategies of nanoHUB, which annually serves million users worldwide with online simulations, tutorials, and seminars. Education Klimeck received his Ph.D. in 1994 from Purdue University where he studied electron transport through quantum dots, resonant tunneling diodes and 2-D electron gases. His German electrical engineering degree (Dipl.-Ing.) in 1990 from Ruhr University Bochum was concerned with the study of laser noise propagation. Career Klimeck's research interest is in the modeling of nanoelectronic devices, parallel cluster computing, genetic algorithms, and parallel image processing. He has been driving the development of the Nanoelectronic Modeling Tool NEMO since 1994. Klimeck ...
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Principal Investigator
In many countries, the term principal investigator (PI) refers to the holder of an independent grant and the lead researcher for the grant project, usually in the sciences, such as a laboratory study or a clinical trial. The phrase is also often used as a synonym for "head of the laboratory" or "research group leader". While the expression is common in the sciences, it is used widely for the person or persons who make final decisions and supervise funding and expenditures on a given research project. A co-investigator (Co-I) assists the principal investigator in the management and leadership of the research project. There may be a number of co-investigators supporting a PI. Federal funding In the context of United States federal funding from agencies such as the National Institutes of Health (NIH) or the National Science Foundation (NSF), the PI is the person who takes direct responsibility for completion of a funded project, directing the research and reporting directly to the fun ...
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Uncertainty Quantification
Uncertainty quantification (UQ) is the science of quantitative characterization and reduction of uncertainties in both computational and real world applications. It tries to determine how likely certain outcomes are if some aspects of the system are not exactly known. An example would be to predict the acceleration of a human body in a head-on crash with another car: even if the speed was exactly known, small differences in the manufacturing of individual cars, how tightly every bolt has been tightened, etc., will lead to different results that can only be predicted in a statistical sense. Many problems in the natural sciences and engineering are also rife with sources of uncertainty. Computer experiments on computer simulations are the most common approach to study problems in uncertainty quantification. Sources Uncertainty can enter mathematical models and experimental measurements in various contexts. One way to categorize the sources of uncertainty is to consider: ; Paramet ...
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Shape-memory Alloy
In metallurgy, a shape-memory alloy (SMA) is an alloy that can be deformed when cold but returns to its pre-deformed ("remembered") shape when heated. It may also be called memory metal, memory alloy, smart metal, smart alloy, or muscle wire. Parts made of shape-memory alloys can be lightweight, solid-state alternatives to conventional actuators such as hydraulic, pneumatic, and motor-based systems. They can also be used to make hermetic joints in metal tubing. Overview The two most prevalent shape-memory alloys are copper-aluminium-nickel and nickel-titanium (NiTi), but SMAs can also be created by alloying zinc, copper, gold and iron. Although iron-based and copper-based SMAs, such as Fe-Mn-Si, Cu-Zn-Al and Cu-Al-Ni, are commercially available and cheaper than NiTi, NiTi-based SMAs are preferable for most applications due to their stability and practicability as well as their superior thermo-mechanic performance. SMAs can exist in two different phases, with three different ...
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