bluuebunny/crossref_metadata_2025_split huggingface dataset:
Use of Nanotechnologies for Drug Delivery
Authors: Shah Parag 
Published: February 2011

AbstractThe emerging field of nanotechnology has an enormous potential contribution to make to the field of pharmaceutical materials science. The advantages of drug nanoparticles can be as simple as dissolution rate enhancement through increased surface area or as complex as targeted delivery through novel pathways. However, the application of many nanoscale technologies has been slow because of difficulties controlling the drug form with decreasing particle size and maintaining chemical and physical stability upon storage. Advancing beyond these limitations requires a unique understanding of both the material properties of the active ingredients as well as the physical chemistry of the nano-sized particle. This article will examine the current challenges facing the pharmaceutical industry in applying nanotechnology, with a focus on the deficiencies in understanding that need to be addressed to move forward.
Materials Informatics
Authors: Rodgers John R. , Cebon David 
Published: February 2011

AbstractGlobal markets are pressuring the materials industries to reduce the time span between materials research and materials development. In particular, current approaches to the development and insertion (deployment) of advanced materials in military systems are too time-intensive and expensive. Despite the large investments in defense systems, insertion is not certain, since materials development is often not linked to the system designer needs, with the results frequently being that the materials do not meet their requirements. There is potentially a high payoff for developing methodologies that will accelerate the insertion of materials, thereby saving millions of investment dollars. All industries engaged in developing advanced materials are searching for new methodologies to solve these problems.Once a new material has been developed, it must be characterized and modeled. Otherwise, components using it cannot be analyzed, and consequently, it cannot be used in engineering products. Therefore, exploiting the full benefits of new (and existing) engineering materials requires specialized informatics tools for data capture, management, analysis, and dissemination. Advances in computing power, coupled with computational modeling and simulation and materials properties databases, will enable materials scientists and engineers to meet these challenges.The articles in this issue of MRS Bulletin show a variety of applications of the methodologies that are employed in using materials informatics approaches to materials and engineering product development.
Data Mining in and around Crystal Structure Databases
Authors: Page Yvon Le 
Published: February 2011

AbstractData mining of crystal structure databases is performed with methods using deduction, semiempirical heuristic principles, or artificial intelligence to create new information from crystal structure data. In this article, enlightening examples, ranging from a systematic search for new ferroelectric materials to ultrahard, ductile, or high-dielectric-permittivity materials, are detailed, with numerous references providing a handle on the state of the art. This activity is just leaving infancy, especially for its ab initio aspects, with the brightest future ahead. Data mining will clearly guide expensive experiments through inexpensive computations for decades to come. This perspective greatly enhances the value of structure data patiently archived within crystal structure databases for nearly a century now.
Digital Materials Design: Computational Methodologies as a Discovery Tool
Authors: Wu Ping 
Published: February 2011

AbstractTo cope with the dynamic social and market demands for advanced materials, new research strategies have to be developed that go beyond the commonly accepted trial-and-error approaches. To this end, a computational materials design platform, digital materials design (DMD), has been created based on well-established fundamental laws, powerful computing, and computational technology. DMD based on computer simulation may produce data that identify overlooked materials behaviors, which then may lead to new theory to explain them, and further to the design of real experiments to fabricate and test the materials. In this review, an illustration of computational methods used in DMD will be given, followed by applications based on two case studies: (1) the design of chemical additives, and (2) the realization ofp-type ZnO. Similarly, many effective and efficient materials designs have been performed in the using DMD for various industrial applications, which further demonstrate that DMD, and computational modeling in general, is an invaluable tool for materials discovery.
Combinatorial Experimentation and Materials Informatics
Authors: Takeuchi Ichiro , Lippmaa Mikk , Matsumoto Yuji 
Published: February 2011

AbstractHigh-throughput experimentation is effective in systematically producing large and diverse data sets. The marriage of combinatorial materials science and informatics is a natural one, and results are beginning to emerge from the integration of elements of materials informatics with data from combinatorial libraries. We discuss data management issues in high-throughput experimentation and highlight recent examples where data-mining tools are being implemented for extracting knowledge and predicting new compounds, with an emphasis on electronic materials.
Atomic Control of the Electronic Structure at Complex Oxide Heterointerfaces
Authors: Hwang Harold Y. 
Published: February 2011

AbstractThe following article is based on the Outstanding Young Investigator Award presentation given by Harold Y. Hwang of the University of Tokyo on March 29, 2005, at the Materials Research Society Spring Meeting in San Francisco. Hwang was cited for “innovative work on the physics of transition-metal oxides and the atomic-scale synthesis of complex oxide heterostructures.” Perovskite oxides range from insulators to superconductors and can incorporate magnetism as well as couple to phonon instabilities. The close lattice match between many perovskites raises the possibility of growing epitaxial thin-film heterostructures with different ground states that may compete or interact. The recent development of superconducting Josephson junctions, magnetic tunnel junctions, ferroelectric memory cells, and resistive switching can be considered examples within this new heteroepitaxial family. In this context, Hwang presents his studies of electronic structure at atomically abrupt interfaces grown by pulsed laser deposition. Some issues are generic to all heterointerfaces, such as the stability of dopant profiles and diffusion, interface states and depletion, and interface charge arising from polarity discontinuities. A more unusual issue is the charge structure associated with Mott insulator/band insulator interfaces. The question is, how should one consider the correlated equivalent of band bending? This semiconductor concept is based on the validity of rigid single-particle band diagrams, which are known to be an inadequate description for strongly correlated electrons. In addition to presenting an interesting scientific challenge, this question underlies the attempts to develop new applications of doped Mott insulators in device geometries.
Thermoelectric Materials, Phenomena, and Applications: A Bird's Eye View
Authors: Tritt Terry M. , Subramanian M. A. 
Published: February 2011

AbstractHigh-efficiency thermoelectric (TE) materials are important for power-generation devices that are designed to convert waste heat into electrical energy.They can also be used in solid-state refrigeration devices.The conversion of waste heat into electrical energy may play an important role in our current challenge to develop alternative energy technologies to reduce our dependence on fossil fuels and reduce greenhouse gas emissions.An overview of various TE phenomena and materials is provided in this issue ofMRS Bulletin. Several of the current applications and key parameters are defined and discussed.Novel applications of TE materials include biothermal batteries to power heart pacemakers, enhanced performance of optoelectronics coupled with solid-state TE cooling, and power generation for deep-space probes via radioisotope TE generators.A number of different systems of potential TE materials are currently under investigation by various research groups around the world, and many of these materials are reviewed in the articles in this issue.These range from thin-film superlattice materials to large single-crystal or polycrystalline bulk materials, and from semiconductors and semimetals to ceramic oxides.The phonon-glass/electron-crystal approach to new TE materials is presented, along with the role of solid-state crystal chemistry.Research criteria for developing new materials are highlighted.
Complex Oxide Materials for Potential Thermoelectric Applications
Authors: Koumoto Kunihito , Terasaki Ichiro , Funahashi Ryoji 
Published: February 2011

AbstractLayered CoO2 materials are excellent candidates for potential thermoelectric applications. Their single crystals show good p-type thermoelectric properties at temperatures higher than 800K in air.Recently, the mechanism of thermoelectric properties was clarified through a discussion of electronic and crystallographic structure. In order to fabricate thermoelectric modules possessing good power-generation properties, thermoelectric materials and metallic electrodes must be connected with low contact resistance and high mechanical strength.It has been found that good junctions can be formed using Ag paste including p- and n-type oxide powders.The role of spin entropy contributions to thermopower will be presented, in connection with strong electron correlation and triangular lattices.
Properties of Nanostructured One-Dimensional and Composite Thermoelectric Materials
Authors: Rao Apparao M. , Ji Xiaohua , Tritt Terry M. 
Published: February 2011

AbstractOver a decade ago, Dresselhaus predicted that low-dimensional systems would one day serve as a route to enhanced thermoelectric performance.In this article, recent results in the thermoelectric properties of nanowires and nanotubes are discussed. Various synthesis techniques will be presented, including chemical vapor deposition for the growth of thermoelectric nanostructures in templated alumina.Electrical transport measurements of carbon nanostructures, such as resistivity and thermopower, have revealed some very interesting thermoelectric properties.Challenges still remain concerning the measurement of individual nanostructures such as nanowires.Much work has been performed on the thermoelectric properties of carbon nanotubes, and these results will be highlighted.In addition, routes for enhanced thermoelectric materials have focused on incorporating nanostructures within the bulk materials.The role of these “hybrid composite structures” based on nanomaterials incorporated into the bulk matrix and the potential for enhanced performance are discussed.
Materials for Optical Data Storage
Authors: Coufal Hans , Dhar Lisa 
Published: February 2011

AbstractThe development of recording materials has been a critical component in the advancement of optical data storage. The continual need for improved performance in both consumer and business applications has pushed forward the capabilities of optical storage. In this issue of MRS Bulletin, we review some of the important developments in the materials behind established technologies such as compact discs, digital versatile discs, and magneto-optical recording; the emerging technology of blue recording; and two technologies that seek to extend the performance roadmap for optical storage, multilayer and holographic recording.
Materials for Optical Disc Substrates
Authors: Bruder Friedrich-Karl , Douzinas Konstantinos , Franz Uli , Haese Wilfried , Oser Rafael 
Published: February 2011

AbstractOptical data storage has become the mainstream technology during the past two decades for distributing audio, video, and software content as well as for recording and archiving personal data. The continuous demand for ever-higher storage capacities and faster data transfer has led to the development of three disc format families using infrared (compact discs), red (digital versatile discs), and blue lasers (Blu-ray discs or high-density DVDs). Substrate materials used in optical discs need to possess a complex property profile with sufficient optical, rheological, mechanical, and processing characteristics to ensure cost-efficient replication, good read/write performance, and long-term media stability. Bisphenol-A polycarbonate (BPA-PC) is the substrate material of choice and has undergone several optimization cycles to always meet new format specifications.
High-Performance Polymer Recording Materials for Holographic Data Storage
Authors: Dhar Lisa 
Published: February 2011

AbstractHolographic storage is considered a promising successor to currently available optical storage technologies. Enabling significant gains in both data transfer rates and storage densities, holographic storage and its capabilities have gained a great deal of recent attention.One of the primary challenges in the advancement of holographic storage has been the development of suitable recording materials.In this article, we provide a brief introduction to holographic storage and its potential advantages over current technologies, outline the requirements for recording materials, and survey candidate materials.We end by highlighting recent progress in photopolymer materials that has produced materials that satisfy the requirements for holographic storage and have enabled significant demonstrations of the viability of this technology.
Laser Direct-Write Techniques for Printing of Complex Materials
Authors: Arnold Craig B. , Serra Pere , Piqué Alberto 
Published: February 2011

AbstractThis article reviews recent developments in laser direct-write addition (LDW+) processes for printing complex materials. Various applications, ranging from small-scale energy storage and generation devices to tissue engineering, require the ability to deposit precise patterns of multicomponent and multiphase materials without degrading desirable properties such as porosity, homogeneity, or biological activity. Structurally complex inorganic materials for the successful fabrication of alkaline and lithium-based microbatteries, micro-ultracapacitors, and dye-sensitized micro solar cells are shown on various low-processing-temperature and flexible substrates using LDW+. In particular, the ability to deposit thick layers while maintaining pattern integrity allows devices produced in this manner to exhibit higher energy densities per unit area than can be achieved by traditional thin-film techniques. We then focus on more complex systems of living and biologically active materials. Patterns of biomaterials such as proteins, DNA, and even living cells can be printed using LDW+ with high spatial and volumetric resolution on the order of a picoliter or less, without compromising the viability of these delicate structures. These results provide for highly selective sensor arrays or cell seeding for tissue engineering. Finally, we review recent work on LDW+ of entire semiconductor circuits, showing the broad range of applications this technique enables.
Direct-Writing of Three-Dimensional Structures Using Laser-Based Processes
Authors: Stuke M. , Mueller K. , Mueller T. , Williams K. , Oliver R. , Ohlberg D.A.A. , Fuhr G. , Williams R. S. 
Published: February 2011

AbstractThree-dimensional structures of selected materials can be written directly to the precise locations required using laser exposure of suitable gaseous precursor mixtures. Writing speeds exceeding 50 μm/s can be achieved. Examples presented in this work include the creation of a tiny time-of-flight laser ionization mass spectrometer, laserdriven movable micro-objects, and an ac electric-field microcage for storage, handling, and transferring small neutral objects in aqueous solution. The impact for lasercontrolled site-selective growth of carbon nanotube cables is demonstrated.
Advances in the Materials Science of Skin: A Composite Structure with Multiple Functions
Authors: Subramanyan K. , Misra M. , Mukherjee S. , Ananthapadmanabhan K. P. 
Published: February 2011

AbstractThis article gives the foundation for understanding the structure and function of human skin and its layers. Skin is our first line of defense against the penetration of external chemicals and bacteria into the body and of water loss from the body. Skin's visual and tactile properties are very much linked to appearance and beauty. Skin treatments as simple as washing with soap affect the mechanics of skin properties, making it dry and brittle versus smooth and elastic. Likewise, natural aging, hormonal changes, and sun exposure affect the properties of skin. Mild cleansing, moisturizer treatments, and regular use of sunscreens can, however, help skin maintain and even improve its quality, appearance, and functional properties.
Silicone Polymers in Skin Care
Authors: O'Lenick Anthony J. , O'Lenick Kevin A. 
Published: February 2011

AbstractSilicone polymers have become increasingly important as ingredients in skin care products, and the trend has accelerated over the last decade. While silicone compounds have existed since the 1860s, their increasing popularity in recent years is due in large part to a better understanding of their unique functions. This increased understanding of the properties of silicone, coupled with an increased ability of the silicone chemist to modify compounds, has resulted in more effective utilization of these materials in skin care formulations. Silicone polymers bring to formulations a phase that is soluble neither in oil nor in water. They are third-phase ingredients that when properly chosen can provide to formulations properties including surface-tension reduction, wetting, and emulsification.
Systematic Coarse Graining: “Four Lessons and A Caveat” from Nonequilibrium Statistical Mechanics
Authors: Öttinger Hans Christian 
Published: February 2011

AbstractWith the guidance offered by nonequilibrium statistical thermodynamics, simulation techniques are elevated from brute-force computer experiments to systematic tools for extracting complete, redundancy-free, and consistent coarse-grained information for dynamic systems. We sketch the role and potential of Monte Carlo, molecular dynamics, and Brownian dynamics simulations in the thermodynamic approach to coarse graining. A melt of entangled linear polyethylene molecules serves us as an illustrative example.
Modeling Deformation and Flow of Disordered Materials
Authors: Barrat Jean-Louis , de Pablo Juan J. 
Published: February 2011

AbstractDisordered, glassy materials are arguably one of the least understood states of condensed matter. Yet, they are ubiquitous in everyday life (polymers, “soft” glasses such as toothpaste, various emulsions, pastes, and foams) and in demanding applications (metallic glasses). Much of what is known about this important class of materials has been the result of truly concerted experimental and molecular modeling efforts. It is now generally accepted that amorphous materials exhibit dynamic and mechanical heterogeneities, but efforts to incorporate these into truly multiscale modeling approaches have been limited. This article describes the current state of affairs, along with many of the challenges that must be met to arrive at a fundamental understanding of amorphous materials and their response to external stresses.
The New Paradigm of Transmission Electron Microscopy
Authors: Urban Knut W. 
Published: February 2011

AbstractThe following article is based on the Von Hippel Award address given by Knut W. Urban, chair of experimental physics at RWTH Aachen University and director of the Institute of Microstructure Research within the Department of Solid-State Research at the Jülich Research Center. Urban presented his award talk on November 29, 2006, during the 2006 Materials Research Society Fall Meeting in Boston. He was recognized with MRS's highest honor, the Von Hippel Award, for his “sustained contributions to the development and use of electron microscopy, and for major discoveries in the defect physics of quasicrystals and high-temperature superconductors.” The Von Hippel Award honors those qualities most prized by materials scientists and engineers—brilliance and originality of intellect, combined with vision that transcends the boundaries of conventional scientific disciplines, as exemplified by the life of Arthur von Hippel (http://vonhippel.mrs.org).In this article, Urban describes the advances in spherical-aberration-corrected electron optics that have set transmission electron microscopy on an entirely new track in materials science. The new imaging theory for aberration-corrected instruments is based on exploiting both lens focus and spherical aberration as variable parameters to optimize contrast, resolution, and point spread. The novel negative-spherical-aberration imaging technique makes it possible to image low-nuclear-charge atoms, which were previously inaccessible directly by electron microscopy. This technique has proven particularly successful for research on oxides. Due to negligible point spread, quantitative measurements of atomic-site occupancies, which are equivalent to local concentrations, have become feasible. These improvements are dramatically expanding the potential of electron microscopy for quantitative studies in materials science.
In SituX-Ray Photoelectron Spectroscopy Studies of Gas-Solid Interfaces at Near-Ambient Conditions
Authors: Bluhm Hendrik , Hävecker Michael , Knop-Gericke Axel , Kiskinova Maya , Schlögl Robert , Salmeron Miquel 
Published: February 2011

AbstractX-ray photoelectron spectroscopy (XPS) is a quantitative, chemically specific technique with a probing depth of a few angstroms to a few nanometers. It is therefore ideally suited to investigate the chemical nature of the surfaces of catalysts. Because of the scattering of electrons by gas molecules, XPS is generally performed under vacuum conditions. However, for thermodynamic and/or kinetic reasons, the catalyst's chemical state observed under vacuum reaction conditions is not necessarily the same as that of a catalyst under realistic operating pressures. Therefore, investigations of catalysts should ideally be performed under reaction conditions, that is, in the presence of a gas or gas mixtures. Using differentially pumped chambers separated by small apertures, XPS can operate at pressures of up to 1 Torr, and with a recently developed differentially pumped lens system, the pressure limit has been raised to about 10 Torr. Here, we describe the technical aspects of high-pressure XPS and discuss recent applications of this technique to oxidation and heterogeneous catalytic reactions on metal surfaces.