Download or read book Understanding and Designing Complex Potential Energy Landscapes Across the Nanoscale written by Yan Yang and published by . This book was released on 2021 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this thesis, I will discuss four projects I participated during my Ph.D. study, with an emphasis on understanding and designing complex energy landscape between molecules and materials across nanoscale. These research projects are organized into four chapters: Chapter 1: Designer Potential Energy Surfaces via Programmable Magnetic Interactions; Chapter 2: Influence of Pore Size on the van der Waals Interaction in Two-Dimensional Molecules and Materials; Chapter 3: Non-Additivity and Finite-Size Effects in the Polarizabilities and Dispersion Coefficients of the Fullerenes; Chapter 4: Competitive Adsorption as a Route to Area-Selective Deposition. In Chapter 1, we explore how programmable magnetostatic interactions can be used in the rational design of Potential Energy Surfaces (PES) with targeted features. We first explore the PES design space that is accessible with small patterned magnetic arrays via forward and exhaustive enumeration, and characterize the resulting PES by the number, locations, and depths of the PES critical points. This is followed by a detailed investigation into the inverse problem-identification of magnetic patterns that correspond to PES with predefined features-using simulated annealing Monte Carlo (SA-MC) methods. In doing so, we demonstrate a robust theoretical and conceptual paradigm that enables forward and inverse PES engineering with precise control over the critical points and other salient surface features, thereby paving the way towards directed self-assembly using programmable magnetic interactions. As the magnetic interactions are scale-invariant, this approach can essentially scale down to the nanoscale. In Chapter 2, we investigate the influence of void space in porous twodimensional (2D) molecules and materials systems to the van der Waals (vdW) scaling landscape [1]. Analytical and numerical models presented herein demonstrate that the mere presence of a pore leads to markedly different vdW scaling across non-asymptotic distances, with certain relative pore sizes yielding effective power laws ranging from simple monotonic decay to the formation of minima, extended plateaus, and even maxima. These models are in remarkable agreement with first-principles approaches for the 2D building blocks of covalent organic frameworks (COFs), and reveal that COF macrocycle dimers and periodic bilayers exhibit unique vdW scaling behavior that is quite distinct from their non-porous analogs. These findings extend across a range of distances relevant to the nanoscale, and represent a hitherto unexplored avenue towards governing the self-assembly of complex nanostructures from porous 2D molecules and materials. In Chapter 3, we explore the nonadditivity and finite-size effect in a series of popular fullerene molecules [2]. We compute the static isotropic polarizability series (l with l = 1, 2, 3) for the C60-C84 fullerenes using finite-field derivative techniques and density functional theory (DFT), and quantitatively assess the intrinsic non-additivity in these fundamental response properties. By comparing against classical models of the fullerenes as conducting spherical shells (or solid spheres) of uniform electron density, a detailed critical analysis of the derived effective scaling laws (α1~ N^1.2, α2~N^2.0, α3~N^2.7) demonstrates that the electronic structure of finite-sized fullerenes-a unique dichotomy of electron confinement and delocalization effects due to their quasispherical cage-like structures and encapsulated void spaces-simultaneously limits and enhances their quantum mechanical response to electric field perturbations. Corresponding frequency-dependent polarizabilities are obtained by inputting the ` series into the hollow sphere model (within the modified single frequency approximation), and used to compute the molecular dispersion coefficients (Cn with n = 6, 8, 9, 10) need to describe the non-trivial vdW interactions in fullerene-based systems. Using first-order perturbation theory in conjuction with >140,000 DFT calculations, we also computed the non-negligible zero-point vibrational contributions to a1 in C60 and C70, thereby enabling a more accurate and direct comparison between theory and experiment for these quintessential nanostructures. In Chapter 4, we explore the use of competitive adsorption to facilitate area-selective deposition (ASD) [3,4]. ASD has the potential to enable next-generation manufacturing and patterning at the 5 nm node and beyond, with direct energy-related applications in solar cells, batteries, fuel cells, supercapacitors, catalysts, and sensors. Well-known for its ability to deposit atomically thin films with Angstrom scale precision along the growth direction and conformally over complex 3D substrates, ALD has already emerged as a key process in nanomanufacturing. In this regard, the range and scope of ALD-based applications and capabilities can be substantially extended by also controlling the in-plane growth, a timely and significant development that can be realized via ASD processes that depend on the chemical composition of the underlying surface. In this joint theoretical-experimental work (with the Engstrom Group at Cornell), competitive adsorption strategies will be leveraged to enable AS-ALD by blocking the dissociative chemisorption of the metal-containing precursor. In this approach, the co-adsorbate must differentiate between two competing surfaces by binding more strongly to one over the other. We computationally identified a series of co-adsorbates that can induce selectivity during chemical vapor deposition (CVD) and ALD process using dispersion-inclusive DFT, and used two of these co-adsorbates to achieve a deposition of ~30nm of a thin film on the desired growth surface using AS-CVD and 1.5nm using AS-ALD.
Download or read book Energy Landscapes of Nanoscale Systems written by David J. Wales and published by Elsevier. This book was released on 2022-06-08 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: Energy Landscapes of Nanoscale Systems provides a snapshot of the state-of-the-art in energy landscapes theory and applications. The book's chapters reflect diversity and knowledge transfer that is a key strength of the energy landscape approach. To reflect the breadth of this field, contributions include applications for clusters, biomolecules, crystal structure prediction and glassy materials. Chapters highlighting new methodologies, especially enhanced sampling techniques are included. In particular, the development and application of global optimization for structure prediction, methods for treating broken ergodicity on multifunnel landscapes, and treatment of rare event dynamics that reflect the state-of-the-art are featured. This book is an important reference source for materials scientists and energy engineers who want to understand more about how nanotechnology applies to the energy landscape approach. This volume is dedicated to Prof. Roy L. Johnston, who was formerly Co-Editor of the Frontiers of Nanoscience series, and who passed away in 2019. Outlines applications and advances in theory and simulation of energy systems at the nanoscale Explores how the energy landscapes approach is being applied to nanoscale materials Assesses major challenges in applying nanomaterials for energy applications on an industrial scale
Download or read book Toward a New Dimension written by Anne Marcovich and published by OUP Oxford. This book was released on 2014-08-28 with total page 418 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the course of the last thirty years, the investigation of objects at the nano scale has rocketed. Nanoscale scientific research has not only powerfully affected the amount and orientation of knowledge, it has perhaps even more significantly redirected the ways in which much research work is carried out, changed scientists' methodology and reasoning processes, and influenced aspects of the structure of career trajectory and the functioning of scientific disciplines. This book identifies key historical moments and episodes in the birth and evolution of nanoscience, discusses the novel repertory of epistemological concerns of practitioners, and signals sociological propensities. As Galileo's telescope explored the moon's surface four hundred years ago, nano instrumentation now makes it possible to see the surface of single molecules. Moreover, practitioners are able to manipulate individual atoms and molecules at will to produce pre-designed synthetic materials, non-existent in nature. The combinatorial of heightened observational capacity and the tailoring of synthetic artificial materials exhibiting hitherto novel physical properties has widened and transformed the worlds of scientific knowledge and technical artefact. This book invites the question: to what extent does nanoscale scientific research constitute a kind of 'scientific revolution'?
Download or read book Dynamics in Small Confining Systems written by and published by . This book was released on 2003 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Dynamics in Small Confining Systems 2003 Volume 790 written by Materials Research Society. Meeting and published by . This book was released on 2004-04-27 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: The MRS Symposium Proceeding series is an internationally recognised reference suitable for researchers and practitioners.
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Download or read book The Physics of Proteins written by Hans Frauenfelder and published by Springer Science & Business Media. This book was released on 2010-05-30 with total page 423 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides an introduction to the structure and function of biomolecules --- especially proteins --- and the physical tools used to investigate them The discussion concentrates on physical tools and properties, emphasizing techniques that are contributing to new developments and avoiding those that are already well established and whose results have already been exploited fully New tools appear regularly - synchrotron radiation, proton radiology, holography, optical tweezers, and muon radiography, for example, have all been used to open new areas of understanding
Download or read book Self Assembly written by John A. Pelesko and published by CRC Press. This book was released on 2007-05-21 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hailed as one of the key areas of nanoscience likely to shape future scientific research, self-assembly offers the most promising route to true molecular nanotechnology. Focusing on this dynamic new field, Self Assembly: The Science of Things That Put Themselves Together explores nature's self-assembly of structures, the use of it to build engineer
Download or read book Research at the Intersection of the Physical and Life Sciences written by National Research Council and published by National Academies Press. This book was released on 2010-03-25 with total page 122 pages. Available in PDF, EPUB and Kindle. Book excerpt: Traditionally, the natural sciences have been divided into two branches: the biological sciences and the physical sciences. Today, an increasing number of scientists are addressing problems lying at the intersection of the two. These problems are most often biological in nature, but examining them through the lens of the physical sciences can yield exciting results and opportunities. For example, one area producing effective cross-discipline research opportunities centers on the dynamics of systems. Equilibrium, multistability, and stochastic behavior-concepts familiar to physicists and chemists-are now being used to tackle issues associated with living systems such as adaptation, feedback, and emergent behavior. Research at the Intersection of the Physical and Life Sciences discusses how some of the most important scientific and societal challenges can be addressed, at least in part, by collaborative research that lies at the intersection of traditional disciplines, including biology, chemistry, and physics. This book describes how some of the mysteries of the biological world are being addressed using tools and techniques developed in the physical sciences, and identifies five areas of potentially transformative research. Work in these areas would have significant impact in both research and society at large by expanding our understanding of the physical world and by revealing new opportunities for advancing public health, technology, and stewardship of the environment. This book recommends several ways to accelerate such cross-discipline research. Many of these recommendations are directed toward those administering the faculties and resources of our great research institutions-and the stewards of our research funders, making this book an excellent resource for academic and research institutions, scientists, universities, and federal and private funding agencies.
Download or read book An Introduction to Nanoscience and Nanotechnology written by Alain Nouailhat and published by Wiley-ISTE. This book was released on 2008-01-14 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Part of this book adapted from "Introduction aux nanosciences et aux nanotechnologies" published in France by Hermes Science/Lavoisier in 2006."
Download or read book 21st Century Nanoscience A Handbook written by Klaus D. Sattler and published by CRC Press. This book was released on 2020-11-26 with total page 465 pages. Available in PDF, EPUB and Kindle. Book excerpt: 21st Century Nanoscience - A Handbook: Nanophotonics, Nanoelectronics, and Nanoplasmonics (Volume 6) will be the most comprehensive, up-to-date large reference work for the field of nanoscience. Handbook of Nanophysics by the same editor published in the fall of 2010 and was embraced as the first comprehensive reference to consider both fundamental and applied aspects of nanophysics. This follow-up project has been conceived as a necessary expansion and full update that considers the significant advances made in the field since 2010. It goes well beyond the physics as warranted by recent developments in the field. This sixth volume in a ten-volume set covers nanophotonics, nanoelectronics, and nanoplasmonics. Key Features: Provides the most comprehensive, up-to-date large reference work for the field. Chapters written by international experts in the field. Emphasises presentation and real results and applications. This handbook distinguishes itself from other works by its breadth of coverage, readability and timely topics. The intended readership is very broad, from students and instructors to engineers, physicists, chemists, biologists, biomedical researchers, industry professionals, governmental scientists, and others whose work is impacted by nanotechnology. It will be an indispensable resource in academic, government, and industry libraries worldwide. The fields impacted by nanophysics extend from materials science and engineering to biotechnology, biomedical engineering, medicine, electrical engineering, pharmaceutical science, computer technology, aerospace engineering, mechanical engineering, food science, and beyond.
Download or read book Designing the New American University written by Michael M. Crow and published by JHU Press. This book was released on 2015-03-15 with total page 361 pages. Available in PDF, EPUB and Kindle. Book excerpt: A radical blueprint for reinventing American higher education. America’s research universities consistently dominate global rankings but may be entrenched in a model that no longer accomplishes their purposes. With their multiple roles of discovery, teaching, and public service, these institutions represent the gold standard in American higher education, but their evolution since the nineteenth century has been only incremental. The need for a new and complementary model that offers broader accessibility to an academic platform underpinned by knowledge production is critical to our well-being and economic competitiveness. Michael M. Crow, president of Arizona State University and an outspoken advocate for reinventing the public research university, conceived the New American University model when he moved from Columbia University to Arizona State in 2002. Following a comprehensive reconceptualization spanning more than a decade, ASU has emerged as an international academic and research powerhouse that serves as the foundational prototype for the new model. Crow has led the transformation of ASU into an egalitarian institution committed to academic excellence, inclusiveness to a broad demographic, and maximum societal impact. In Designing the New American University, Crow and coauthor William B. Dabars—a historian whose research focus is the American research university—examine the emergence of this set of institutions and the imperative for the new model, the tenets of which may be adapted by colleges and universities, both public and private. Through institutional innovation, say Crow and Dabars, universities are apt to realize unique and differentiated identities, which maximize their potential to generate the ideas, products, and processes that impact quality of life, standard of living, and national economic competitiveness. Designing the New American University will ignite a national discussion about the future evolution of the American research university.
Download or read book Handbook of Molecular Biotechnology written by Dongyou Liu and published by CRC Press. This book was released on 2024-09-05 with total page 763 pages. Available in PDF, EPUB and Kindle. Book excerpt: With a history that likely dates back to the dawn of human civilization more than 10,000 years ago, and a record that includes the domestication and selective breeding of plants and animals, the harnessing of fermentation process for bread, cheese, and brewage production, and the development of vaccines against infectious diseases, biotechnology has acquired a molecular focus during the 20th century, particularly following the resolution of DNA double helix in 1953, and the publication of DNA cloning protocol in 1973, and transformed our concepts and practices in disease diagnosis, treatment and prevention, pharmaceutical and industrial manufacturing, animal and plant industry, and food processing. While molecular biotechnology offers unlimited opportunities for improving human health and well-being, animal welfare, agricultural innovation and environmental conservation, a dearth of high quality books that have the clarity of laboratory manuals without distractive procedural details and the thoroughness of well-conversed textbooks appears to dampen the enthusiasm of aspiring students. In attempt to fill this glaring gap, Handbook of Molecular Biotechnology includes four sections, with the first three presenting in-depth coverage on DNA, RNA and protein technologies, and the fourth highlighting their utility in biotechnology. Recognizing the importance of logical reasoning and experimental verification over direct observation and simple description in biotechnological research and development, the Introduction provides pertinent discussions on key strategies (i.e., be first, be better, and be different), effective thinking (lateral, parallel, causal, reverse, and random), and experimental execution, which have proven invaluable in helping advance research projects, evaluate and prepare research reports, and enhance other scientific endeavors. Key features Presents state-of-the-art reviews on DNA, RNA and protein technologies and their biotechnological applications Discusses key strategies, effective thinking, and experimental execution for scientific research and development Fills the gap left by detailed-ridden laboratory manuals and insight-lacking standard textbooks Includes expert contributions from international scientists at the forefront of molecular biotechnology research and development Written by international scientists at the forefront of molecular biotechnology research and development, chapters in this volume cover the histories, principles, and applications of individual techniques/technologies, and constitute stand-alone, yet interlinked lectures that strive to educate as well as to entertain. Besides providing an informative textbook for tertiary students in molecular biotechnology and related fields, this volume serves as an indispensable roadmap for novice scientists in their efforts to acquire innovative skills and establish solid track records in molecular biotechnology, and offers a contemporary reference for scholars, educators, and policymakers wishing to keep in touch with recent developments in molecular biotechnology.
Download or read book Journal of the British Interplanetary Society written by British Interplanetary Society and published by . This book was released on 1999 with total page 490 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Dekker Encyclopedia of Nanoscience and Nanotechnology written by James A. Schwarz and published by CRC Press. This book was released on 2004 with total page 722 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Soft Machines written by Richard Anthony Lewis Jones and published by Oxford University Press. This book was released on 2004 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Enthusiasts look forward to a time when tiny machines reassemble matter and process information but is their vision realistic? 'Soft Machines' explains why the nanoworld is so different to the macro-world that we are all familar with and shows how it has more in common with biology than conventional engineering.
Download or read book A Research Agenda for Transforming Separation Science written by National Academies of Sciences, Engineering, and Medicine and published by National Academies Press. This book was released on 2019-10-30 with total page 115 pages. Available in PDF, EPUB and Kindle. Book excerpt: Separation science plays a critical role in maintaining our standard of living and quality of life. Many industrial processes and general necessities such as chemicals, medicines, clean water, safe food, and energy sources rely on chemical separations. However, the process of chemical separations is often overlooked during product development and this has led to inefficiency, unnecessary waste, and lack of consensus among chemists and engineers. A reevaluation of system design, establishment of standards, and an increased focus on the advancement of separation science are imperative in supporting increased efficiency, continued U.S. manufacturing competitiveness, and public welfare. A Research Agenda for Transforming Separation Science explores developments in the industry since the 1987 National Academies report, Separation and Purification: Critical Needs and Opportunities. Many needs stated in the original report remain today, in addition to a variety of new challenges due to improved detection limits, advances in medicine, and a recent emphasis on sustainability and environmental stewardship. This report examines emerging chemical separation technologies, relevant developments in intersecting disciplines, and gaps in existing research, and provides recommendations for the application of improved separation science technologies and processes. This research serves as a foundation for transforming separation science, which could reduce global energy use, improve human and environmental health, and advance more efficient practices in various industries.
