Brookhaven highlights, October 1978-September 1979. [October 1978 to September 1979

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1979-01-01

These highlights present an overview of the major research and development achievements at Brookhaven National Laboratory from October 1978 to September 1979. Specific areas covered include: accelerator and high energy physics programs; high energy physics research; the AGS and improvements to the AGS; neutral beam development; heavy ion fusion; superconducting power cables; ISABELLE storage rings; the BNL Tandem accelerator; heavy ion experiments at the Tandem; the High Flux Beam Reactor; medium energy physics; nuclear theory; atomic and applied physics; solid state physics; neutron scattering studies; x-ray scattering studies; solid state theory; defects and disorder in solids; surface physics; the Nationalmore » Synchrotron Light Source ; Chemistry Department; Biology Department; Medical Department; energy sciences; environmental sciences; energy technology programs; National Center for Analysis of Energy Systems; advanced reactor systems; nuclear safety; National Nuclear Data Center; nuclear materials safeguards; Applied Mathematics Department; and support activities. (GHT)« less

Materials science: Chemistry and physics happily wed

NASA Astrophysics Data System (ADS)

Fiete, Gregory A.

2017-07-01

A major advance in the quantum theory of solids allows materials to be identified whose electronic states have a non-trivial topology. Such materials could have many computing and electronics applications. See Article p.298

The Barium Hydroxide-Ammonium Thiocyanate Reaction: A Titrimetric Continuous Variations Experiment.

ERIC Educational Resources Information Center

Harris, Arlo D.

1979-01-01

Presents an experiment for inorganic, organic, or physical chemistry students utilizing acid-base titrimetry to study the stoichiometric of a solid state reaction. Time involved ranges from one to three, three-hour lab periods. (Author/SA)

TDPAC and β-NMR applications in chemistry and biochemistry

NASA Astrophysics Data System (ADS)

Jancso, Attila; Correia, Joao G.; Gottberg, Alexander; Schell, Juliana; Stachura, Monika; Szunyogh, Dániel; Pallada, Stavroula; Lupascu, Doru C.; Kowalska, Magdalena; Hemmingsen, Lars

2017-06-01

Time differential perturbed angular correlation (TDPAC) of γ-rays spectroscopy has been applied in chemistry and biochemistry for decades. Herein we aim to present a comprehensive review of chemical and biochemical applications of TDPAC spectroscopy conducted at ISOLDE over the past 15 years, including elucidation of metal site structure and dynamics in proteins and model systems. β-NMR spectroscopy is well established in nuclear physics, solid state physics, and materials science, but only a limited number of applications in chemistry have appeared. Current endeavors at ISOLDE advancing applications of β-NMR towards chemistry and biochemistry are presented, including the first experiment on 31Mg2+ in an ionic liquid solution. Both techniques require the production of radioisotopes combined with advanced spectroscopic instrumentation present at ISOLDE.

The Iron-Iron Carbide Phase Diagram: A Practical Guide to Some Descriptive Solid State Chemistry.

ERIC Educational Resources Information Center

Long, Gary J.; Leighly, H. P., Jr.

1982-01-01

Discusses the solid state chemistry of iron and steel in terms of the iron-iron carbide phase diagram. Suggests that this is an excellent way of introducing the phase diagram (equilibrium diagram) to undergraduate students while at the same time introducing the descriptive solid state chemistry of iron and steel. (Author/JN)

CELSS science needs

NASA Technical Reports Server (NTRS)

Rummel, J. D.

1986-01-01

Questions and areas of study that need to be persued in order to develope a Controlled Ecological Life Support System are posed. Research topics needing attention are grouped under various leadings: ecology, genetics, plant pathology, cybernetics, chemistry, computer science, fluid dynamics, optics, and solid-state physics.

Dilution physics modeling: Dissolution/precipitation chemistry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Onishi, Y.; Reid, H.C.; Trent, D.S.

This report documents progress made to date on integrating dilution/precipitation chemistry and new physical models into the TEMPEST thermal-hydraulics computer code. Implementation of dissolution/precipitation chemistry models is necessary for predicting nonhomogeneous, time-dependent, physical/chemical behavior of tank wastes with and without a variety of possible engineered remediation and mitigation activities. Such behavior includes chemical reactions, gas retention, solids resuspension, solids dissolution and generation, solids settling/rising, and convective motion of physical and chemical species. Thus this model development is important from the standpoint of predicting the consequences of various engineered activities, such as mitigation by dilution, retrieval, or pretreatment, that can affectmore » safe operations. The integration of a dissolution/precipitation chemistry module allows the various phase species concentrations to enter into the physical calculations that affect the TEMPEST hydrodynamic flow calculations. The yield strength model of non-Newtonian sludge correlates yield to a power function of solids concentration. Likewise, shear stress is concentration-dependent, and the dissolution/precipitation chemistry calculations develop the species concentration evolution that produces fluid flow resistance changes. Dilution of waste with pure water, molar concentrations of sodium hydroxide, and other chemical streams can be analyzed for the reactive species changes and hydrodynamic flow characteristics.« less

Binary Solid-Liquid Phase Diagram of Phenol and t-Butanol: An Undergraduate Physical Chemistry Experiment

ERIC Educational Resources Information Center

Xu, Xinhua; Wang, Xiaogang; Wu, Meifen

2014-01-01

The determination of the solid-liquid phase diagram of a binary system is always used as an experiment in the undergraduate physical chemistry laboratory courses. However, most phase diagrams investigated in the lab are simple eutectic ones, despite the fact that complex binary solid-liquid phase diagrams are more common. In this article, the…

Selection Criteria for New Materials For Thermoelectric Applications

NASA Astrophysics Data System (ADS)

Tritt, T. M.

1997-11-01

Recently there has been renewed interest in materials for thermoelectric refrigeration and power generation applications.(Terry M. Tritt, Science, 272, 1276, 1996),(G. Mahan, B. Sales and J. Sharp, Physics Today, March 50, 42, 1997) We have established a multidisciplinary program within the Physics Department and in collaboration with the Chemistry Department at Clemson University. The focus of our research utilizes a broad understanding of solid state physics coupled with solid state chemistry to synthesize and fully characterize promising materials for their potential as the "next generation" thermoelectric materials. An introduction to thermoelectric materials and the criteria for their selection and potential for applications will be given. To be promising as a thermoelectric material, a material must have a high Seebeck coefficient, α, high electrical conductivity, σ, and a low thermal conductivity, λ. These parameters go into the materials dimensionless figure of merit ZT = α^2σT/λ. We will discuss these parameters in relation to this materials performance as a potential thermoelectric material. We will also discuss some of the materials that are currently being investigated in the program at Clemson University.

Magnetic Excitations and Geometric Confinement; Theory and simulations

NASA Astrophysics Data System (ADS)

Wysin, Gary Matthew

2015-12-01

In this book, author Gary Wysin provides an overview of model systems and their behaviour and effects, and is intended for advanced students and researchers in physics, chemistry and engineering interested in confined magnetics. It is also suitable as an auxiliary text in a class on magnetism or solid state physics. Previous physics knowledge is expected, along with some basic knowledge of classical electromagnetism and electromagnetic waves for the latter chapters.

Normal and Inverse Ferrite Spinels: A Set of Solid State Chemistry Related Experiments.

ERIC Educational Resources Information Center

Chaumont, C.; Burgard, M.

1979-01-01

Presents one of the themes of a French chemistry college laboratory course, which concerns the field of solid state chemistry and is focused on the study of the cation distribution in the case of certain spinel ferrites. (HM)

Proceedings of the nineteenth LAMPF Users Group meeting

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bradbury, J.N.

1986-02-01

Separate abstracts were prepared for eight invited talks on various aspects of nuclear and particle physics as well as status reports on LAMPF and discussions of upgrade options. Also included in these proceedings are the minutes of the working groups for: energetic pion channel and spectrometer; high resolution spectrometer; high energy pion channel; neutron facilities; low-energy pion work; nucleon physics laboratory; stopped muon physics; solid state physics and material science; nuclear chemistry; and computing facilities. Recent LAMPF proposals are also briefly summarized. (LEW)

Thomas Gennett | NREL

Science.gov Websites

catalysts through ion implantation and sputtering Non-aqueous flow batteries based on organic energy-storage organic radical polymer in the solid state," Journal of Physical Chemistry C (2015) 119(37), 21369 . Braunecker, T.W. Kemper, R.E. Larsen, T. Gennett, "Close packing of nitroxide radicals in stable organic

DOE Office of Scientific and Technical Information (OSTI.GOV)

Libby, S B; Weiss, M S

Edward Teller was one of the great physicists of the twentieth century. His career began just after the key ideas of the quantum revolution of the 1920's were completed, opening vast areas of physics and chemistry to detailed understanding. Thus, his early work in theoretical physics focused on applying the new quantum theory to the understanding of diverse phenomena. These topics included chemical physics, diamagnetism, and nuclear physics. Later, he made key contributions to statistical mechanics, surface physics, solid state, and plasma physics. In many cases, the ideas in these papers are still rich with important ramifications.

Electron-rich driven electrochemical solid-state amorphization in Li-Si alloys.

PubMed

Wang, Zhiguo; Gu, Meng; Zhou, Yungang; Zu, Xiaotao; Connell, Justin G; Xiao, Jie; Perea, Daniel; Lauhon, Lincoln J; Bang, Junhyeok; Zhang, Shengbai; Wang, Chongmin; Gao, Fei

2013-09-11

The physical and chemical behaviors of materials used in energy storage devices, such as lithium-ion batteries (LIBs), are mainly controlled by an electrochemical process, which normally involves insertion/extraction of ions into/from a host lattice with a concurrent flow of electrons to compensate charge balance. The fundamental physics and chemistry governing the behavior of materials in response to the ions insertion/extraction is not known. Herein, a combination of in situ lithiation experiments and large-scale ab initio molecular dynamics simulations are performed to explore the mechanisms of the electrochemically driven solid-state amorphization in Li-Si systems. We find that local electron-rich condition governs the electrochemically driven solid-state amorphization of Li-Si alloys. This discovery provides the fundamental explanation of why lithium insertion in semiconductor and insulators leads to amorphization, whereas in metals, it leads to a crystalline alloy. The present work correlates electrochemically driven reactions with ion insertion, electron transfer, lattice stability, and phase equilibrium.

Electron-Rich Driven Electrochemical Solid-State Amorphization in Li-Si Alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Zhiguo; Gu, Meng; Zhou, Yungang

2013-08-14

The physical and chemical behaviors of materials used in energy storage devices, such as lithium-ion batteries (LIBs), are mainly controlled by an electrochemical process, which normally involves insertion/extraction of ions into/from a host lattice with a concurrent flow of electrons to compensate charge balance. The fundamental physics and chemistry governing the behavior of materials in response to the ions insertion/extraction is not known. Herein, a combination of in situ lithiation experiments and large-scale ab initio molecular dynamics simulations are performed to explore the mechanisms of the electrochemically driven solid-state amorphization in Li-Si systems. We find that local electron-rich condition governsmore » the electrochemically driven solid-state amorphization of Li-Si alloys. This discovery provides the fundamental explanation of why lithium insertion in semiconductor and insulators leads to amorphization, whereas in metals, it leads to a crystalline alloy. The present work correlates electrochemically driven reactions with ion insertion, electron transfer, lattice stability and phase equilibrium.« less

1976 annual summary report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1978-03-01

Abstracts of papers published during the previous calendar year, arranged in accordance with the project titles used in the USDOE Schedule 189 Budget Proposals, are presented. The collection of abstracts supplements the listing of papers published in the Schedule 189. The following subject areas are represented: high-energy physics; nuclear physics; basic energy sciences (nuclear science, materials sciences, solid state physics, materials chemistry); molecular, mathematical, and earth sciences (fundamental interactions, processes and techniques, mathematical and computer sciences); environmental research and development; physical and technological studies (characterization, measurement and monitoring); and nuclear research and applications.

Preparing, Characterizing, and Investigating Luminescent Properties of a Series of Long-Lasting Phosphors in a SrO-Al[subscript 2]O[subscript 3] System: An Integrated and Inquiry-Based Experiment in Solid State Chemistry for the Undergraduate Laboratory

ERIC Educational Resources Information Center

Ma, Yan-Zi; Jia, Li; Ma, Kai-Guo; Wang, Hai-Hong; Jing, Xi-Ping

2017-01-01

An integrated and inquiry-based experiment on solid state chemistry is applied to an inorganic chemistry lab course to provide insight into the characteristics of the solid phase reaction. In this experiment, students have the opportunity to synthesize long-lasting phosphors with formula xSrO·yAl[subscript 2]O[subscript 3]:Eu[superscript 2+],…

A Solid State Chemistry Experiment: Dislocations in Etched Calcite by Polaroid Photomicrography

ERIC Educational Resources Information Center

Agnew, N. H.

1972-01-01

Suggests that adequate attention should be given to lattice imperfections in teaching solid state chemistry. Some concepts to be included in such a program are explained. An experiment to be performed by undergraduates on photomicrography is described in detail. (PS)

Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit

NASA Astrophysics Data System (ADS)

Gruber, Thomas; Liao, Ke; Tsatsoulis, Theodoros; Hummel, Felix; Grüneis, Andreas

2018-04-01

Modern electronic structure theories can predict and simulate a wealth of phenomena in surface science and solid-state physics. In order to allow for a direct comparison with experiment, such ab initio predictions have to be made in the thermodynamic limit, substantially increasing the computational cost of many-electron wave-function theories. Here, we present a method that achieves thermodynamic limit results for solids and surfaces using the "gold standard" coupled cluster ansatz of quantum chemistry with unprecedented efficiency. We study the energy difference between carbon diamond and graphite crystals, adsorption energies of water on h -BN, as well as the cohesive energy of the Ne solid, demonstrating the increased efficiency and accuracy of coupled cluster theory for solids and surfaces.

Twinning, Epitaxy and Domain Switching in Ferroelastic Inclusion Compounds

NASA Technical Reports Server (NTRS)

Hollingsworth, Mark D.; Peterson, Matthew L.

2003-01-01

Our research is in the area of solid-state organic chemistry, which lies at the interface between physical organic chemistry and materials science. We use crystalline solids as models to probe fundamental issues about physical processes, molecular interactions and chemical reactions that are important for fabrication, stabilization and application of technological materials. Much of our most recent work has focused on the phenomena of ferroelastic and ferroelectric domain switching, in which application of an external force or electric field to a crystal causes the molecules inside the crystal to reorient, in tandem, to a new orientational state. To better understand and control the domain switching process, we have designed and synthesized over twenty closely related, ferroelastic organic crystals. Our approach has been to use crystalline inclusion compounds, in which one molecule (the guest) is trapped within the crystalline framework of a second molecule (the host). By keeping the host constant and varying the proportions and kinds of guests, it has been possible to tailor these materials so that domain switching is rapid and reversible (which is desirable for high technology applications). Inclusion compounds therefore serve as powerful systems for understanding the specific molecular mechanisms that control domain switching.

Ab initio molecular crystal structures, spectra, and phase diagrams.

PubMed

Hirata, So; Gilliard, Kandis; He, Xiao; Li, Jinjin; Sode, Olaseni

2014-09-16

Conspectus Molecular crystals are chemists' solids in the sense that their structures and properties can be understood in terms of those of the constituent molecules merely perturbed by a crystalline environment. They form a large and important class of solids including ices of atmospheric species, drugs, explosives, and even some organic optoelectronic materials and supramolecular assemblies. Recently, surprisingly simple yet extremely efficient, versatile, easily implemented, and systematically accurate electronic structure methods for molecular crystals have been developed. The methods, collectively referred to as the embedded-fragment scheme, divide a crystal into monomers and overlapping dimers and apply modern molecular electronic structure methods and software to these fragments of the crystal that are embedded in a self-consistently determined crystalline electrostatic field. They enable facile applications of accurate but otherwise prohibitively expensive ab initio molecular orbital theories such as Møller-Plesset perturbation and coupled-cluster theories to a broad range of properties of solids such as internal energies, enthalpies, structures, equation of state, phonon dispersion curves and density of states, infrared and Raman spectra (including band intensities and sometimes anharmonic effects), inelastic neutron scattering spectra, heat capacities, Gibbs energies, and phase diagrams, while accounting for many-body electrostatic (namely, induction or polarization) effects as well as two-body exchange and dispersion interactions from first principles. They can fundamentally alter the role of computing in the studies of molecular crystals in the same way ab initio molecular orbital theories have transformed research practices in gas-phase physical chemistry and synthetic chemistry in the last half century. In this Account, after a brief summary of formalisms and algorithms, we discuss applications of these methods performed in our group as compelling illustrations of their unprecedented power in addressing some of the outstanding problems of solid-state chemistry, high-pressure chemistry, or geochemistry. They are the structure and spectra of ice Ih, in particular, the origin of two peaks in the hydrogen-bond-stretching region of its inelastic neutron scattering spectra, a solid-solid phase transition from CO2-I to elusive, metastable CO2-III, pressure tuning of Fermi resonance in solid CO2, and the structure and spectra of solid formic acid, all at the level of second-order Møller-Plesset perturbation theory or higher.

Characterizing physical properties and heterogeneous chemistry of single particles in air using optical trapping-Raman spectroscopy

NASA Astrophysics Data System (ADS)

Gong, Z.; Wang, C.; Pan, Y. L.; Videen, G.

2017-12-01

Heterogeneous reactions of solid particles in a gaseous environment are of increasing interest; however, most of the heterogeneous chemistry studies of airborne solids were conducted on particle ensembles. A close examination on the heterogeneous chemistry between single particles and gaseous-environment species is the key to elucidate the fundamental mechanisms of hydroscopic growth, cloud nuclei condensation, secondary aerosol formation, etc., and reduce the uncertainty of models in radiative forcing, climate change, and atmospheric chemistry. We demonstrate an optical trapping-Raman spectroscopy (OT-RS) system to study the heterogeneous chemistry of the solid particles in air at single-particle level. Compared to other single-particle techniques, optical trapping offers a non-invasive, flexible, and stable method to isolate single solid particle from substrates. Benefited from two counter-propagating hollow beams, the optical trapping configuration is adaptive to trap a variety of particles with different materials from inorganic substitution (carbon nanotubes, silica, etc.) to organic, dye-doped polymers and bioaerosols (spores, pollen, etc.), with different optical properties from transparent to strongly absorbing, with different sizes from sub-micrometers to tens of microns, or with distinct morphologies from loosely packed nanotubes to microspheres and irregular pollen grains. The particles in the optical trap may stay unchanged, surface degraded, or optically fragmented according to different laser intensity, and their physical and chemical properties are characterized by the Raman spectra and imaging system simultaneously. The Raman spectra is able to distinguish the chemical compositions of different particles, while the synchronized imaging system can resolve their physical properties (sizes, shapes, morphologies, etc.). The temporal behavior of the trapped particles also can be monitored by the OT-RS system at an indefinite time with a resolution from 10 ms to 5 min, which can be further applied to monitor the dynamics of heterogeneous reactions. The OT-RS system provides a flexible method to characterize and monitor the physical properties and heterogeneous chemistry of optically trapped solid particles in gaseous environment at single-particle level.

2011 Dynamics at Surfaces Gordon Research Conference (August 7-12, 2011, Salve Regina University, Newport, Rhode Island)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Greg Sitz

2011-08-12

The 2011 Gordon Conference on Dynamics at Surfaces is the 32nd anniversary of a meeting held every two years that is attended by leading researchers in the area of experimental and theoretical dynamics at liquid and solid surfaces. The conference focuses on the dynamics of the interaction of molecules with either liquid or solid surfaces, the dynamics of the outermost layer of liquid and solid surfaces and the dynamics at the liquid-solid interface. Specific topics that are featured include state-to-state scattering dynamics, chemical reaction dynamics, non-adiabatic effects in reactive and inelastic scattering of molecules from surfaces, single molecule dynamics atmore » surfaces, surface photochemistry, ultrafast dynamics at surfaces, and dynamics at water interfaces. The conference brings together investigators from a variety of scientific disciplines including chemistry, physics, materials science, geology, biophysics, and astronomy.« less

The Fundamental Chemistry and Physics of Munitions under Extreme Conditions

DTIC Science & Technology

2011-02-01

I. I. Oleynik, S. V. Zybin, and C. T. White, “Density Functional Theory Calculations of Solid Nitromethane under Hydrostatic and Uniaxial...White (NRL), Ivan Oleynik (USF): anisotropic nonlinear elasticity and equations of states of crystalline EM (PETN, RDX, HMX, TATB, nitromethane ...and nitromethane ;  Aidan Thompson (SNL): shock-to-detonation transition in PETN and CL-20;  Ronnie Kosloff (Hebrew University of Jerusalem

Applications of surface analysis and surface theory in tribology

NASA Technical Reports Server (NTRS)

Ferrante, John

1988-01-01

Tribology, the study of adhesion, friction and wear of materials is a complex field which requires a knowledge of solid state physics, surface physics, chemistry, material science and mechanical engineering. It has been dominated, however, by the more practical need to make equipment work. With the advent of surface analysis and advances in surface and solid state theory, a new dimension has been added to the analysis of interactions at tribological interfaces. In this paper the applications of tribological studies and their limitations are presented. Examples from research at the NASA Lewis Research Center are given. Emphasis is on fundamental studies involving the effects of monolayer coverage and thick films on friction and wear. A summary of the current status of theoretical calculations of defect energetics is presented. In addition, some new theoretical techniques which enable simplified quantitative calculations of adhesion, fracture and friction are discussed.

Applications of surface analysis and surface theory in tribology

NASA Technical Reports Server (NTRS)

Ferrante, John

1989-01-01

Tribology, the study of adhesion, friction and wear of materials, is a complex field which requires a knowledge of solid state physics, surface physics, chemistry, material science, and mechanical engineering. It has been dominated, however, by the more practical need to make equipment work. With the advent of surface analysis and advances in surface and solid-state theory, a new dimension has been added to the analysis of interactions at tribological interfaces. In this paper the applications of tribological studies and their limitations are presented. Examples from research at the NASA Lewis Research Center are given. Emphasis is on fundamental studies involving the effects of monolayer coverage and thick films on friction and wear. A summary of the current status of theoretical calculations of defect energetics is presented. In addition, some new theoretical techniques which enable simplified quantitative calculations of adhesion, fracture, and friction are discussed.

Stimulated Raman adiabatic passage in physics, chemistry, and beyond

NASA Astrophysics Data System (ADS)

Vitanov, Nikolay V.; Rangelov, Andon A.; Shore, Bruce W.; Bergmann, Klaas

2017-01-01

The technique of stimulated Raman adiabatic passage (STIRAP), which allows efficient and selective population transfer between quantum states without suffering loss due to spontaneous emission, was introduced in 1990 by Gaubatz et al.. Since then STIRAP has emerged as an enabling methodology with widespread successful applications in many fields of physics, chemistry, and beyond. This article reviews the many applications of STIRAP emphasizing the developments since 2001, the time when the last major review on the topic was written (Vitanov, Fleischhauer et al.). A brief introduction into the theory of STIRAP and the early applications for population transfer within three-level systems is followed by the discussion of several extensions to multilevel systems, including multistate chains and tripod systems. The main emphasis is on the wide range of applications in atomic and molecular physics (including atom optics, cavity quantum electrodynamics, formation of ultracold molecules, etc.), quantum information (including single- and two-qubit gates, entangled-state preparation, etc.), solid-state physics (including processes in doped crystals, nitrogen-vacancy centers, superconducting circuits, semiconductor quantum dots and wells), and even some applications in classical physics (including waveguide optics, polarization optics, frequency conversion, etc.). Promising new prospects for STIRAP are also presented (including processes in optomechanics, precision experiments, detection of parity violation in molecules, spectroscopy of core-nonpenetrating Rydberg states, population transfer with x-ray pulses, etc.).

Solid-state chemistry and particle engineering with supercritical fluids in pharmaceutics.

PubMed

Pasquali, Irene; Bettini, Ruggero; Giordano, Ferdinando

2006-03-01

The present commentary aims to review the modern and innovative strategies in particle engineering by the supercritical fluid technologies and it is principally concerned with the aspects of solid-state chemistry. Supercritical fluids based processes for particle production have been proved suitable for controlling solid-state, morphology and particle size of pharmaceuticals, in some cases on an industrial scale. Supercritical fluids should be considered in a prominent position in the development processes of drug products for the 21st century. In this respect, this innovative technology will help in meeting the more and more stringent requirements of regulatory authorities in terms of solid-state characterisation and purity, and environmental acceptability.

Ultrafast electron microscopy in materials science, biology, and chemistry

NASA Astrophysics Data System (ADS)

King, Wayne E.; Campbell, Geoffrey H.; Frank, Alan; Reed, Bryan; Schmerge, John F.; Siwick, Bradley J.; Stuart, Brent C.; Weber, Peter M.

2005-06-01

The use of pump-probe experiments to study complex transient events has been an area of significant interest in materials science, biology, and chemistry. While the emphasis has been on laser pump with laser probe and laser pump with x-ray probe experiments, there is a significant and growing interest in using electrons as probes. Early experiments used electrons for gas-phase diffraction of photostimulated chemical reactions. More recently, scientists are beginning to explore phenomena in the solid state such as phase transformations, twinning, solid-state chemical reactions, radiation damage, and shock propagation. This review focuses on the emerging area of ultrafast electron microscopy (UEM), which comprises ultrafast electron diffraction (UED) and dynamic transmission electron microscopy (DTEM). The topics that are treated include the following: (1) The physics of electrons as an ultrafast probe. This encompasses the propagation dynamics of the electrons (space-charge effect, Child's law, Boersch effect) and extends to relativistic effects. (2) The anatomy of UED and DTEM instruments. This includes discussions of the photoactivated electron gun (also known as photogun or photoelectron gun) at conventional energies (60-200 keV) and extends to MeV beams generated by rf guns. Another critical aspect of the systems is the electron detector. Charge-coupled device cameras and microchannel-plate-based cameras are compared and contrasted. The effect of various physical phenomena on detective quantum efficiency is discussed. (3) Practical aspects of operation. This includes determination of time zero, measurement of pulse-length, and strategies for pulse compression. (4) Current and potential applications in materials science, biology, and chemistry. UEM has the potential to make a significant impact in future science and technology. Understanding of reaction pathways of complex transient phenomena in materials science, biology, and chemistry will provide fundamental knowledge for discovery-class science.

Instrumental Analysis in Environmental Chemistry - Liquid and Solid Phase Detection Systems

ERIC Educational Resources Information Center

Stedman, Donald H.; Meyers, Philip A.

1974-01-01

This is the second of two reviews dealing with analytical methods applicable to environmental chemistry. Methods are discussed under gas, liquid, or solid depending upon the state of the analyte during detection. (RH)

Compression selective solid-state chemistry

NASA Astrophysics Data System (ADS)

Hu, Anguang

Compression selective solid-state chemistry refers to mechanically induced selective reactions of solids under thermomechanical extreme conditions. Advanced quantum solid-state chemistry simulations, based on density functional theory with localized basis functions, were performed to provide a remarkable insight into bonding pathways of high-pressure chemical reactions in all agreement with experiments. These pathways clearly demonstrate reaction mechanisms in unprecedented structural details, showing not only the chemical identity of reactive intermediates but also how atoms move along the reaction coordinate associated with a specific vibrational mode, directed by induced chemical stress occurred during bond breaking and forming. It indicates that chemical bonds in solids can break and form precisely under compression as we wish. This can be realized through strongly coupling of mechanical work to an initiation vibrational mode when all other modes can be suppressed under compression, resulting in ultrafast reactions to take place isothermally in a few femtoseconds. Thermodynamically, such reactions correspond to an entropy minimum process on an isotherm where the compression can force thermal expansion coefficient equal to zero. Combining a significantly brief reaction process with specific mode selectivity, both statistical laws and quantum uncertainty principle can be bypassed to precisely break chemical bonds, establishing fundamental principles of compression selective solid-state chemistry. Naturally this leads to understand the ''alchemy'' to purify, grow, and perfect certain materials such as emerging novel disruptive energetics.

Science Update: Inorganic Chemistry.

ERIC Educational Resources Information Center

Rawls, Rebecca

1981-01-01

Describes areas of inorganic chemistry which have changed dramatically in the past year or two, including photochemistry, electrochemistry, organometallic complexes, inorganic reaction theory, and solid state chemistry. (DS)

Publications of LASL research, 1972--1976

DOE Office of Scientific and Technical Information (OSTI.GOV)

Petersen, L.

1977-04-01

This bibliography is a compilation of unclassified work done at the Los Alamos Scientific Laboratory and published during the years 1972 to 1976. Publications too late for inclusion in earlier compilations are also listed. Declassification of previously classified reports is considered to constitute publication. The bibliography includes LASL reports, journal articles, books, conference papers, papers published in congressional hearings, theses, patents, etc. The following subject areas are included: aerospace studies; analytical technology; astrophysics; atomic and molecular physics, equation of state, opacity; biology and medicine; chemical dynamics and kinetics; chemistry; cryogenics; crystallography; CTR and plasma physics; earth science and engineering; energymore » (nonnuclear); engineering and equipment; EPR, ESR, NMR studies; explosives and detonations; fission physics; health and safety; hydrodynamics and radiation transport; instruments; lasers; mathematics and computers; medium-energy physics; metallurgy and ceramics technology; neutronics and criticality studies; nuclear physics; nuclear safeguards; physics; reactor technology; solid state science; and miscellaneous (including Project Rover). (RWR)« less

European scientific notes. Volume 38. Number 1. Monthly publication

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shaffer, L.E.

1984-01-01

Topics include: Gender-mixed Crews on Dutch Combat Ships; Max-Planck-Institute for Psycholinguistics; Cancer Therapy with Magnetism; 9th European Underwater Biomedical Society Convention; International Center for Genetic Engineering and Biotechnology; Biotechnological Route to Polyphenylene; 2nd Romania-US Seminar on Polymer Chemistry; Statistical Climatology; A Code for Generating Dynamic Models of Robots; Fifth Generation Computing Systems; New Data Logger; Erosion by Liquid and Solid Impact, ELSI VI; Physical Chemistry of the Solid State -- Metals and alloys; NATO Buys a New Oceanographic Research Vessel; Oceanexpo/Oceantropigues 1984; Progress in Development of Wave Energy to Generate Electricity; IAPSO Symposia and Oceanography at the 18th IUGG; Newmore » Decision Support System; High Energy Channeling Research in Switzerland; Muon-Catalyzed Fusion; 2nd International Symposium on Acoustic Remote Sensing of the Atmosphere and Ocean; and Support of Science Research by the British Military.« less

PREFACE: Annual Conference on Functional Materials and Nanotechnologies - FM&NT 2011

NASA Astrophysics Data System (ADS)

Sternberg, Andris; Muzikante, Inta; Zicans, Janis

2011-06-01

The International Conference Functional Materials and Nanotechnologies (FM&NT-2011) was held in Riga, 5-8 April 2011 in the Institute of Solid State Physics, University of Latvia (ISSP LU). The conference was organized in co-operation with projects ERANET 'MATERA' and National Research programme in Materials Science and Information Technologies. The purpose of the conference was to bring together scientists, engineers and students from universities, research institutes and related industrial companies active in the field of advanced material science and materials technologies trends and future activities. Scientific themes covered in the conference are: theoretical research and modelling of processes and materials; materials for energetics, renewable energy technologies and phtovoltaics; multifunctional inorganic, organic and hybrid materials for photonic, micro and nanoelectronic applications and innovative methods for research of nanostructures; advanced technologies for synthesis and research of nanostructured materials, nanoparticles, thin films and coatings; application of innovative materials in science and economics. The number of registered participants from 17 countries was nearly 300. During three days of the conference 22 invited, 69 oral reports and 163 posters were presented. 40 papers, based on these reports, are included in this volume of IOP Conference Series: Materials Science and Engineering. Additional information about FM&NT-2011 is available in its homepage http://www.fmnt.lu.lv. The Organizing Committee would like to thank all speakers, contributors, session chairs, referees and meeting staff for their efforts in making the FM&NT-2011 successful. The Organizing Committee sincerely hopes that that the conference gave all participants new insights into the widespread development of functional materials and nanotechnologies and would enhance the circulation of information released at the meeting. Andris Sternberg Inta Muzikante Janis Zicans Conference photograph ERAF logo International Organizing Committee Andris Sternberg (chairperson), Institute of Solid State Physics, University of Latvia, Latvia, MATERA Juras Banys, Vilnius University, Lithuania Gunnar Borstel, University of Osnabrück, Germany Niels E Christensen, University of Aarhus, Denmark Robert A Evarestov, St. Petersburg State University, Russia Claes-Goran Granqvist, Uppsala University, Sweden Dag Høvik, The Research Council of Norway, Norway, MATERA Marco Kirm, Institute of Physics, University of Tartu, Estonia Vladislav Lemanov, Ioffe Physical Technical Institute, Russia Witold Lojkowski, Institute of High Pressure Physics, Poland Ergo Nommiste, University of Tartu, Estonia Helmut Schober, Institut Laue-Langevin, France Sisko Sipilä, Finnish Funding Agency for Technology and Innovation, Finland, MATERA Ingólfur Torbjörnsson, Icelandic Centre for Research, Iceland, MATERA Marcel H Van de Voorde, University of Technology Delft, The Netherlands International Program Committee Inta Muzikante (chairperson), Institute of Solid State Physics, University of Latvia, Latvia, MATERA Liga Berzina-Cimdina, Institute of Biomaterials and Biomechanics, Riga Technical University, Latvia Janis Grabis, Institute of Inorganic Chemistry, Riga Technical University, Latvia Leonid V Maksimov, Vavilov State Optical Institute, Russia Linards Skuja, Institute of Solid State Physics, University of Latvia, Latvia Maris Springis, Institute of Solid State Physics, University of Latvia, Latvia Ilmars Zalite, Institute of Inorganic Chemistry, Riga Technical University, Latvia Janis Zicans, Institute of Polymers, Riga Technical University Local Committee: Liga Grinberga, Anatolijs Sarakovskis, Jurgis Grube, Raitis Siatkovskis, Maris Kundzins, Anna Muratova, Maris Springis, Aivars Vembris, Krisjanis Smits, Andris Fedotovs, Dmitrijs Bocarovs, Anastasija Jozepa, Andris Krumins.

Strange but True: The Physics of Glass, Gels and Jellies Is All Related through Rheology

ERIC Educational Resources Information Center

Sarker, Dipak K.

2017-01-01

Rheology is an enormously far-reaching branch of physics (or physical chemistry) and has a number of different guises. Rheological descriptions define fluids, semi-solids and conventional solids, and the application of this science defines the performance and utility of materials and substances as diverse as foods (such as yogurt and marmalade),…

Designing, Describing and Disseminating New Materials by using the Network Topology Approach.

PubMed

Öhrström, Lars

2016-09-19

This Concept article describes how network topology analysis is applied to different fields of solid-state chemistry. Its usefulness is demonstrated by examples from metal-organic frameworks, group 14 allotropes and related compounds, ice polymorphs, zeolites, supramolecular (organic) solid-state chemistry, Zintl phases, and cathode materials for Li-ion batteries. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The physics of solid-state neutron detector materials and geometries.

PubMed

Caruso, A N

2010-11-10

Detection of neutrons, at high total efficiency, with greater resolution in kinetic energy, time and/or real-space position, is fundamental to the advance of subfields within nuclear medicine, high-energy physics, non-proliferation of special nuclear materials, astrophysics, structural biology and chemistry, magnetism and nuclear energy. Clever indirect-conversion geometries, interaction/transport calculations and modern processing methods for silicon and gallium arsenide allow for the realization of moderate- to high-efficiency neutron detectors as a result of low defect concentrations, tuned reaction product ranges, enhanced effective omnidirectional cross sections and reduced electron-hole pair recombination from more physically abrupt and electronically engineered interfaces. Conversely, semiconductors with high neutron cross sections and unique transduction mechanisms capable of achieving very high total efficiency are gaining greater recognition despite the relative immaturity of their growth, lithographic processing and electronic structure understanding. This review focuses on advances and challenges in charged-particle-based device geometries, materials and associated mechanisms for direct and indirect transduction of thermal to fast neutrons within the context of application. Calorimetry- and radioluminescence-based intermediate processes in the solid state are not included.

Mercouri G. Kanatzidis: Excellence and Innovations in Inorganic and Solid-State Chemistry.

PubMed

Arachchige, Indika U; Armatas, Gerasimos S; Biswas, Kanishka; Subrahmanyam, Kota S; Latturner, Susan; Malliakas, Christos D; Manos, Manolis J; Oh, Youngtak; Polychronopoulou, Kyriaki; P Poudeu, Pierre F; Trikalitis, Pantelis N; Zhang, Qichun; Zhao, Li-Dong; Peter, Sebastian C

2017-07-17

Over the last 3-4 decades, solid-state chemistry has emerged as the forefront of materials design and development. The field has revolutionized into a multidisciplinary subject and matured with a scope of new synthetic strategies, new challenges, and opportunities. Understanding the structure is very crucial in the design of appropriate materials for desired applications. Professor Mercouri G. Kanatzidis has encountered both challenges and opportunities during the course of the discovery of many novel materials. Throughout his scientific career, Mercouri and his group discovered several inorganic compounds and pioneered structure-property relationships. We, a few Ph.D. and postdoctoral students, celebrate his 60th birthday by providing a Viewpoint summarizing his contributions to inorganic solid-state chemistry. The topics discussed here are of significant interest to various scientific communities ranging from condensed matter to green energy production.

[Fundamentals of plasma chemistry and its application to drug engineering].

PubMed

Kuzuya, M

1996-04-01

In this review, our novel research works in both low temperature plasma chemistry and solid state plasma chemistry were described. As for low temperature plasma, the ESR study on plasma-induced radicals of several selected conventional polymers was shown including the detailed analyses of the radical structure and the mechanism by which the radicals were formed on typical degradable methacrylic polymers and cross-linkable polystyrene. One of the pharmaceutical applications of the plasma processing for drug delivery system (DDS) was also described, which includes the preparations of double-compressed tablet consisting of drugs as a core material and various types of polymers as a wall material followed by plasma-irradiation on such a tablet. As for solid state plasma, the detailed reaction mechanism of solid state mechanochemical polymerization was shown including the solid state single electron transfer and the special feature of the resulting polymers. The structural criteria for polymerizable monomer derived from the quantum chemical considerations were also established. Based on the above findings, we synthesized various polymeric prodrugs by mechanochemical polymerization and studied the nature of hydrolyses (drug release).

Non-Faradaic Li + Migration and Chemical Coordination across Solid-State Battery Interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gittleson, Forrest S.; El Gabaly, Farid

Efficient and reversible charge transfer is essential to realizing high-performance solid-state batteries. Efforts to enhance charge transfer at critical electrode–electrolyte interfaces have proven successful, yet interfacial chemistry and its impact on cell function remains poorly understood. Using X-ray photoelectron spectroscopy combined with electrochemical techniques, we elucidate chemical coordination near the LiCoO 2–LIPON interface, providing experimental validation of space-charge separation. Space-charge layers, defined by local enrichment and depletion of charges, have previously been theorized and modeled, but the unique chemistry of solid-state battery interfaces is now revealed. Here we highlight the non-Faradaic migration of Li+ ions from the electrode to themore » electrolyte, which reduces reversible cathodic capacity by ~15%. Inserting a thin, ion-conducting LiNbO 3 interlayer between the electrode and electrolyte, however, can reduce space-charge separation, mitigate the loss of Li+ from LiCoO 2, and return cathodic capacity to its theoretical value. This work illustrates the importance of interfacial chemistry in understanding and improving solid-state batteries.« less

Solid-state NMR study of geopolymer prepared by sol-gel chemistry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsai, Yi-Ling; Hanna, John V.; Lee, Yuan-Ling, E-mail: yuanlinglee@ntu.edu.t

2010-12-15

Geopolymers are a new class of materials formed by the condensation of aluminosilicates and silicates obtained from natural minerals or industrial wastes. In this work, the sol-gel method is used to synthesize precursor materials for the preparation of geopolymers. The geopolymer samples prepared by our synthetic route have been characterized by a series of physical techniques, including Fourier-transform infrared, X-ray diffraction, and multinuclear solid-state NMR. The results are very similar to those obtained for the geopolymers prepared from natural kaolinite. We believe that our synthetic approach can offer a good opportunity for the medical applications of geopolymer. -- Graphical abstract:more » Geopolymer prepared by the sol-gel route has the same spectroscopic properties as the sample prepared from the natural kaolinite. Display Omitted« less

Enhancement of DFT-calculations at petascale: Nuclear Magnetic Resonance, Hybrid Density Functional Theory and Car-Parrinello calculations

NASA Astrophysics Data System (ADS)

Varini, Nicola; Ceresoli, Davide; Martin-Samos, Layla; Girotto, Ivan; Cavazzoni, Carlo

2013-08-01

One of the most promising techniques used for studying the electronic properties of materials is based on Density Functional Theory (DFT) approach and its extensions. DFT has been widely applied in traditional solid state physics problems where periodicity and symmetry play a crucial role in reducing the computational workload. With growing compute power capability and the development of improved DFT methods, the range of potential applications is now including other scientific areas such as Chemistry and Biology. However, cross disciplinary combinations of traditional Solid-State Physics, Chemistry and Biology drastically improve the system complexity while reducing the degree of periodicity and symmetry. Large simulation cells containing of hundreds or even thousands of atoms are needed to model these kind of physical systems. The treatment of those systems still remains a computational challenge even with modern supercomputers. In this paper we describe our work to improve the scalability of Quantum ESPRESSO (Giannozzi et al., 2009 [3]) for treating very large cells and huge numbers of electrons. To this end we have introduced an extra level of parallelism, over electronic bands, in three kernels for solving computationally expensive problems: the Sternheimer equation solver (Nuclear Magnetic Resonance, package QE-GIPAW), the Fock operator builder (electronic ground-state, package PWscf) and most of the Car-Parrinello routines (Car-Parrinello dynamics, package CP). Final benchmarks show our success in computing the Nuclear Magnetic Response (NMR) chemical shift of a large biological assembly, the electronic structure of defected amorphous silica with hybrid exchange-correlation functionals and the equilibrium atomic structure of height Porphyrins anchored to a Carbon Nanotube, on many thousands of CPU cores.

Innovative Design and Processing of Multi-Functional Adaptive Structural Materials

DTIC Science & Technology

2014-01-09

instability, Journal of the Mechanics and Physics of Solids, (02 2013): 611. doi: 10.1016/j.jmps.2012.09.006 C. Keplinger, J.-Y. Sun , C. C. Foo, P... mechanics meets chemistry.” invited session on De-formation and Fracture of Soft Materials, 2012 March Meeting of the American Physical So-ciety, March... mechanics meets chemistry.” invited session on Deformation and Fracture of Soft Materials, 2012 March Meeting of the American Physi-cal Society

Role of Precursor-Conversion Chemistry in the Crystal-Phase Control of Catalytically Grown Colloidal Semiconductor Quantum Wires.

PubMed

Wang, Fudong; Buhro, William E

2017-12-26

Crystal-phase control is one of the most challenging problems in nanowire growth. We demonstrate that, in the solution-phase catalyzed growth of colloidal cadmium telluride (CdTe) quantum wires (QWs), the crystal phase can be controlled by manipulating the reaction chemistry of the Cd precursors and tri-n-octylphosphine telluride (TOPTe) to favor the production of either a CdTe solute or Te, which consequently determines the composition and (liquid or solid) state of the Bi x Cd y Te z catalyst nanoparticles. Growth of single-phase (e.g., wurtzite) QWs is achieved only from solid catalysts (y ≪ z) that enable the solution-solid-solid growth of the QWs, whereas the liquid catalysts (y ≈ z) fulfill the solution-liquid-solid growth of the polytypic QWs. Factors that affect the precursor-conversion chemistry are systematically accounted for, which are correlated with a kinetic study of the composition and state of the catalyst nanoparticles to understand the mechanism. This work reveals the role of the precursor-reaction chemistry in the crystal-phase control of catalytically grown colloidal QWs, opening the possibility of growing phase-pure QWs of other compositions.

High-Resolution Solid-State NMR Spectroscopy: Characterization of Polymorphism in Cimetidine, a Pharmaceutical Compound

ERIC Educational Resources Information Center

Pacilio, Julia E.; Tokarski, John T.; Quiñones, Rosalynn; Iuliucci, Robbie J.

2014-01-01

High-resolution solid-state NMR (SSNMR) spectroscopy has many advantages as a tool to characterize solid-phase material that finds applications in polymer chemistry, nanotechnology, materials science, biomolecular structure determination, and others, including the pharmaceutical industry. The technology associated with achieving high resolution…

Molten Boron Phase-Change Thermal Energy Storage to Augment Solar Thermal Propulsion Systems

DTIC Science & Technology

2011-07-13

Thermodynamic Properties of Transition Metal Borides . I. The Molybdenum-boron system and Elemental Boron," Journal of Physical Chemistry, Vol. 81...February 1977, pp. 318-324. 38Itoh, H., Matsudaira, T., and Naka, S., "Formation Process of Tungsten Borides by Solid State Reaction Between Tungsten...Molybdenum-Boron and Some Properties of The Molybdenum- Borides ," Journal of Metals, September 1952, pp. 983-988. 40Stout, N. D., Mar, R. W., and Boo, W. O

ATR-FTIR Spectroscopy in the Undergraduate Chemistry Laboratory: Part II--A Physical Chemistry Laboratory Experiment on Surface Adsorption

ERIC Educational Resources Information Center

Schuttlefield, Jennifer D.; Larsen, Sarah C.; Grassian, Vicki H.

2008-01-01

Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy is a useful technique for measuring the infrared spectra of solids and liquids as well as probing adsorption on particle surfaces. The use of FTIR-ATR spectroscopy in organic and inorganic chemistry laboratory courses as well as in undergraduate research was presented…

Cocrystal Controlled Solid-State Synthesis: A Green Chemistry Experiment for Undergraduate Organic Chemistry

ERIC Educational Resources Information Center

Cheney, Miranda L.; Zaworotko, Michael J.; Beaton, Steve; Singer, Robert D.

2008-01-01

Green chemistry has become an important area of concern for all chemists from practitioners in the pharmaceutical industry to professors and the students they teach and is now being incorporated into lectures of general and organic chemistry courses. However, there are relatively few green chemistry experiments that are easily incorporated into…

Molecular Structure of Humin and Melanoidin via Solid State NMR

PubMed Central

Herzfeld, Judith; Rand, Danielle; Matsuki, Yoh; Daviso, Eugenio; Mak-Jurkauskas, Melody; Mamajanov, Irena

2011-01-01

Sugar-derived humins and melanoidins figure significantly in food chemistry, agricultural chemistry, biochemistry and prebiotic chemistry. Despite wide interest and significant experimental attention, the amorphous and insoluble nature of the polymers has made them resistant to conventional structural characterization. Here we make use of solid-state NMR methods, including selective 13C substitution, 1H-dephasing, and double quantum filtration. The spectra, and their interpretation, are simplified by relying exclusively on hydronium for catalysis. The results for polymers derived from ribose, deoxyribose and fructose indicate diverse pathways to furans, suggest a simple route to pyrroles in the presence of amines, and reveal a heterogenous network-type polymer in which sugar molecules cross-link the heterocycles. PMID:21456563

Why surface chemistry matters for QD–QD resonance energy transfer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoffman, Jacob B.; Alam, Rabeka; Kamat, Prashant V.

Resonance energy transfer (RET) has been shown to occur in films of semiconductor quantum dots (QDs) with variation in QD composition and size. When coupled with charge carrier transfer, RET could provide a complementary strategy for light harvesting in QD based solid state photovoltaic devices. Due to a direct dependence on the optical properties of the donor and acceptor, QD surface chemistry plays a drastic role in determining the efficiency of RET. Here, the impact of QD surface chemistry on RET in QD films was investigated using a pair of different sized CdSe QDs spin-cast onto a glass substrate. Themore » effects of QD surface passivation on RET were studied by removing surface ligands through QD washing and adding an insulating ZnS shell. In addition, QD films were subjected to solid state ligand exchanges with thiolated ligands in order to mimic a layer-by-layer deposition method commonly used in the construction of QD photovoltaics. These solid state ligand exchanges exhibit drastic quenching of RET in the films. As a result, these experiments highlight the importance of understanding surface chemistry when designing photovoltaics that utilize RET.« less

Why surface chemistry matters for QD–QD resonance energy transfer

DOE PAGES

Hoffman, Jacob B.; Alam, Rabeka; Kamat, Prashant V.

2017-01-12

Resonance energy transfer (RET) has been shown to occur in films of semiconductor quantum dots (QDs) with variation in QD composition and size. When coupled with charge carrier transfer, RET could provide a complementary strategy for light harvesting in QD based solid state photovoltaic devices. Due to a direct dependence on the optical properties of the donor and acceptor, QD surface chemistry plays a drastic role in determining the efficiency of RET. Here, the impact of QD surface chemistry on RET in QD films was investigated using a pair of different sized CdSe QDs spin-cast onto a glass substrate. Themore » effects of QD surface passivation on RET were studied by removing surface ligands through QD washing and adding an insulating ZnS shell. In addition, QD films were subjected to solid state ligand exchanges with thiolated ligands in order to mimic a layer-by-layer deposition method commonly used in the construction of QD photovoltaics. These solid state ligand exchanges exhibit drastic quenching of RET in the films. As a result, these experiments highlight the importance of understanding surface chemistry when designing photovoltaics that utilize RET.« less

Physical Chemistry, Science (Experimental): 5318.60.

ERIC Educational Resources Information Center

Mary, Charlotta B.; Feuer, Jerold

Performance objectives are stated for this secondary school instructional unit concerned with aspects of physical chemistry, involving the physical properties of matter, and laws and theories regarding chemical interaction. Lists of films and state-adopted and other texts are presented. Included are enrollment guidelines; an outline summarizing…

Hydrogen Atomic Positions of O-H···O Hydrogen Bonds in Solution and in the Solid State: The Synergy of Quantum Chemical Calculations with ¹H-NMR Chemical Shifts and X-ray Diffraction Methods.

PubMed

Siskos, Michael G; Choudhary, M Iqbal; Gerothanassis, Ioannis P

2017-03-07

The exact knowledge of hydrogen atomic positions of O-H···O hydrogen bonds in solution and in the solid state has been a major challenge in structural and physical organic chemistry. The objective of this review article is to summarize recent developments in the refinement of labile hydrogen positions with the use of: (i) density functional theory (DFT) calculations after a structure has been determined by X-ray from single crystals or from powders; (ii) ¹H-NMR chemical shifts as constraints in DFT calculations, and (iii) use of root-mean-square deviation between experimentally determined and DFT calculated ¹H-NMR chemical shifts considering the great sensitivity of ¹H-NMR shielding to hydrogen bonding properties.

Lif and Raman Spectroscopy in Undergraduate Labs Using Green Diode-Pumped Solid-State Lasers

NASA Astrophysics Data System (ADS)

Gray, Jeffrey A.

2015-06-01

Electronic spectroscopy of molecular iodine vapor has long been studied in undergraduate physical chemistry teaching laboratories, but the effectiveness of emission work has typically been limited by availability of instrumentation. This talk shows how to make inexpensive green diode-pumped solid-state (DPSS) lasers easily tunable for efficient, selective excitation of I2. Miniature fiber-optic spectrometers then enable rotationally resolved fluorescence spectroscopy up to v" = 42 near 900 nm with acquisition times of less than one minute. DPSS lasers are also versatile excitation sources for vibrational Raman spectroscopy, which is another common exercise that has been limited by lack of proper instrumentation in the teaching laboratory. This talk shows how to construct a simple accessory for commercial fluorimeters to record vibrational Raman spectra and depolarization ratios for CCl4 and C2Cl4 as part of a lab exercise featuring molecular symmetry.

What's in a Name Change?

NASA Astrophysics Data System (ADS)

Martin, Joseph D.

2015-03-01

When solid state physics emerged in the 1940s, its name was controversial. By the 1970s, some physicists came to prefer "condensed matter" as a way to identify the discipline of physics examining complex matter. Physicists and historians often gloss this transition as a simple rebranding of a problematically named field, but attention to the motives behind these names reveals telling nuances. "Solid state physics" and "condensed matter physics"—along with "materials science," which also emerged during the Cold War—were named in accordance with ideological commitments about the identity of physics. Historians, therefore, can profitably understand solid state and condensed matter physics as distinct disciplines. Condensed matter, rather than being continuous with solid state physics, should be considered alongside materials science as an outlet for specific frustrations with the way solid state was organized.

Combinatorial chemistry on solid support in the search for central nervous system agents.

PubMed

Zajdel, Paweł; Pawłowski, Maciej; Martinez, Jean; Subra, Gilles

2009-08-01

The advent of combinatorial chemistry was one of the most important developments, that has significantly contributed to the drug discovery process. Within just a few years, its initial concept aimed at production of libraries containing huge number of compounds (thousands to millions), so called screening libraries, has shifted towards preparation of small and medium-sized rationally designed libraries. When applicable, the use of solid supports for the generation of libraries has been a real breakthrough in enhancing productivity. With a limited amount of resin and simple manual workups, the split/mix procedure may generate thousands of bead-tethered compounds. Beads can be chemically or physically encoded to facilitate the identification of a hit after the biological assay. Compartmentalization of solid supports using small reactors like teabags, kans or pellicular discrete supports like Lanterns resulted in powerful sort and combine technologies, relying on codes 'written' on the reactor, and thus reducing the need for automation and improving the number of compounds synthesized. These methods of solid-phase combinatorial chemistry have been recently supported by introduction of solid-supported reagents and scavenger resins. The first part of this review discusses the general premises of combinatorial chemistry and some methods used in the design of primary and focused combinatorial libraries. The aim of the second part is to present combinatorial chemistry methodologies aimed at discovering bioactive compounds acting on diverse GPCR involved in central nervous system disorders.

A Solid-State NMR Experiment: Analysis of Local Structural Environments in Phosphate Glasses

ERIC Educational Resources Information Center

Anderson, Stanley E.; Saiki, David; Eckert, Hellmut; Meise-Gresch, Karin

2004-01-01

An experiment that can be used to directly study the local chemical environments of phosphorus in solid amorphous materials is demonstrated. The experiment aims at familiarizing the students of chemistry with the principles of solid-state NMR, by having them synthesize a simple phosphate glass, and making them observe the (super 31)P NMR spectrum,…

Current problems in the theory of disordered semiconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bonch-Bruevich, V.L.

1987-05-01

This paper is an expanded version of a report read by the author at the 2nd All-Union Conference on Quantum chemistry of Solids (Riga, 1985) and at the 9th Session of Physics and Electronics (German Democratic Republic, Berlin, 1985). Three questions, which are under intensive discussion in the current literature, are examined: intermediate order in disordered semiconductors, the structure of the energy spectrum and wave functions near the mobility threshold, and the determination of the density of states in the mobility gap based on experimental data on the absorption of light.

Determining the orientation of a chiral substrate using full-hemisphere angle-resolved photoelectron spectroscopy.

PubMed

Tadich, A; Riley, J; Thomsen, L; Cowie, B C C; Gladys, M J

2011-10-21

Chiral interfaces and substrates are of increasing importance in the field of enantioselective chemistry. To fully understand the enantiospecific interactions between chiral adsorbate molecules and the chiral substrate, it is vital that the chiral orientation of the substrate is known. In this Letter we demonstrate that full-hemisphere angle-resolved photoemission permits straightforward identification of the orientation of a chiral surface. The technique can be applied to any solid state system for which photoemission measurements are possible. © 2011 American Physical Society

The Journal of Physical Chemistry A. Time-Dependent Quantum Molecular Dynamics Workshop, Brian Head, Utah, March 13-17, 1999. Volume 103, Number 47

DTIC Science & Technology

1999-11-25

reactions the situation is more complicated since many of the modes are in the process of changing from free rotors to nearly harmonic bending motions ...are dihedral angles between the CH3 planes and the CC axis (see text). Heavy solid contours denote repulsive regions ( energies higher than that of...while vi is the source term describing the rate of formation of ethane in energy state i from the free methyl radicals. The effective bimolecular

Recent developments in LIBXC - A comprehensive library of functionals for density functional theory

NASA Astrophysics Data System (ADS)

Lehtola, Susi; Steigemann, Conrad; Oliveira, Micael J. T.; Marques, Miguel A. L.

2018-01-01

LIBXC is a library of exchange-correlation functionals for density-functional theory. We are concerned with semi-local functionals (or the semi-local part of hybrid functionals), namely local-density approximations, generalized-gradient approximations, and meta-generalized-gradient approximations. Currently we include around 400 functionals for the exchange, correlation, and the kinetic energy, spanning more than 50 years of research. Moreover, LIBXC is by now used by more than 20 codes, not only from the atomic, molecular, and solid-state physics, but also from the quantum chemistry communities.

Out-of-equilibrium processes in suspensions of oppositely charged colloids: liquid-to-crystal nucleation and gel formation

NASA Astrophysics Data System (ADS)

Sanz, Eduardo

2009-03-01

We study the kinetics of the liquid-to-crystal transformation and of gel formation in colloidal suspensions of oppositely charged particles. We analyse, by means of both computer simulations and experiments, the evolution of a fluid quenched to a state point of the phase diagram where the most stable state is either a homogeneous crystalline solid or a solid phase in contact with a dilute gas. On the one hand, at high temperatures and high packing fractions, close to an ordered-solid/disordered-solid coexistence line, we find that the fluid-to-crystal pathway does not follow the minimum free energy route. On the other hand, a quench to a state point far from the ordered-crystal/disordered-crystal coexistence border is followed by a fluid-to-solid transition through the minimum free energy pathway. At low temperatures and packing fractions we observe that the system undergoes a gas-liquid spinodal decomposition that, at some point, arrests giving rise to a gel-like structure. Both our simulations and experiments suggest that increasing the interaction range favors crystallization over vitrification in gel-like structures. [4pt] In collaboration with Chantal Valeriani, Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University, Princetonplein 5, 3584 CC Utrecht, The Netherlands and SUPA, School of Physics, University of Edinburgh, JCMB King's Buildings, Mayfield Road, Edinburgh EH9 3JZ, UK; Teun Vissers, Andrea Fortini, Mirjam E. Leunissen, and Alfons van Blaaderen, Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University; Daan Frenke, FOM Institute for Atomic and Molecular Physics, Kruislaan 407, 1098 SJ Amsterdam, The Netherlands and Department of Chemistry, University of Cambridge, Lensfield Road, CB2 1EW, Cambridge, UK; and Marjolein Dijkstra, Soft Condensed Matter, Debye Institute for Nanomaterials Science, Utrecht University.

Physical aging in graphite/epoxy composites

NASA Technical Reports Server (NTRS)

Kong, E. S. W.

1983-01-01

Sub-Tg annealing has been found to affect the properties of graphite/epoxy composites. The network epoxy studied was based on the chemistry of tetraglycidyl 4,4'-diamino-diphenyl methane (TGDDM) crosslinked by 4,4'-diamino-diphenyl sulfone (DDS). Differential scanning calorimetry, thermal mechanical analysis, and solid-state cross-polarized magic-angle-spinning nuclear magnetic resonance spectroscopy have been utilized in order to characterize this process of recovery towards thermodynamic equilibrium. The volume and enthalpy recovery as well as the 'thermoreversibility' aspects of the physical aging are discussed. This nonequilibrium and time-dependent behavior of network epoxies are considered in view of the increasingly wide applications of TGDDM-DDS epoxies as matrix materials of structural composites in the aerospace industry.

Tribology theory versus experiment

NASA Technical Reports Server (NTRS)

Ferrante, John

1987-01-01

Tribology, the study of friction and wear of materials, has achieved a new interest because of the need for energy conservation. Fundamental understanding of this field is very complex and requires a knowledge of solid-state physics, material science, chemistry, and mechanical engineering. This paper is meant to be didactic in nature and outlines some of the considerations needed for a tribology research program. The approach is first to present a simple model, a field emission tip in contact with a flat surface, in order to elucidate important considerations, such as contact area, mechanical deformations, and interfacial bonding. Then examples from illustrative experiments are presented. Finally, the current status of physical theories concerning interfacial bonding are presented.

MN15-L: A New Local Exchange-Correlation Functional for Kohn-Sham Density Functional Theory with Broad Accuracy for Atoms, Molecules, and Solids.

PubMed

Yu, Haoyu S; He, Xiao; Truhlar, Donald G

2016-03-08

Kohn-Sham density functional theory is widely used for applications of electronic structure theory in chemistry, materials science, and condensed-matter physics, but the accuracy depends on the quality of the exchange-correlation functional. Here, we present a new local exchange-correlation functional called MN15-L that predicts accurate results for a broad range of molecular and solid-state properties including main-group bond energies, transition metal bond energies, reaction barrier heights, noncovalent interactions, atomic excitation energies, ionization potentials, electron affinities, total atomic energies, hydrocarbon thermochemistry, and lattice constants of solids. The MN15-L functional has the same mathematical form as a previous meta-nonseparable gradient approximation exchange-correlation functional, MN12-L, but it is improved because we optimized it against a larger database, designated 2015A, and included smoothness restraints; the optimization has a much better representation of transition metals. The mean unsigned error on 422 chemical energies is 2.32 kcal/mol, which is the best among all tested functionals, with or without nonlocal exchange. The MN15-L functional also provides good results for test sets that are outside the training set. A key issue is that the functional is local (no nonlocal exchange or nonlocal correlation), which makes it relatively economical for treating large and complex systems and solids. Another key advantage is that medium-range correlation energy is built in so that one does not need to add damped dispersion by molecular mechanics in order to predict accurate noncovalent binding energies. We believe that the MN15-L functional should be useful for a wide variety of applications in chemistry, physics, materials science, and molecular biology.

The Physics and Chemistry of Materials

NASA Astrophysics Data System (ADS)

Gersten, Joel I.; Smith, Frederick W.

2001-06-01

A comprehensive introduction to the structure, properties, and applications of materials This title provides the first unified treatment for the broad subject of materials. Authors Gersten and Smith use a fundamental approach to define the structure and properties of a wide range of solids on the basis of the local chemical bonding and atomic order present in the material. Emphasizing the physical and chemical origins of material properties, the book focuses on the most technologically important materials being utilized and developed by scientists and engineers. Appropriate for use in advanced materials courses, The Physics and Chemistry of Materials provides the background information necessary to assimilate the current academic and patent literature on materials and their applications. Problem sets, illustrations, and helpful tables complete this well-rounded new treatment. Five sections cover these important topics: * Structure of materials, including crystal structure, bonding in solids, diffraction and the reciprocal lattice, and order and disorder in solids * Physical properties of materials, including electrical, thermal, optical, magnetic, and mechanical properties * Classes of materials, including semiconductors, superconductors, magnetic materials, and optical materials in addition to metals, ceramics, polymers, dielectrics, and ferroelectrics * A section on surfaces, thin films, interfaces, and multilayers discusses the effects of spatial discontinuities in the physical and chemical structure of materials * A section on synthesis and processing examines the effects of synthesis on the structure and properties of various materials This book is enhanced by a Web-based supplement that offers advanced material together with an entire electronic chapter on the characterization of materials. The Physics and Chemistry of Materials is a complete introduction to the structure and properties of materials for students and an excellent reference for scientists and engineers.

Fundamentals of tribology at the atomic level

NASA Technical Reports Server (NTRS)

Ferrante, John; Pepper, Stephen V.

1989-01-01

Tribology, the science and engineering of solid surfaces in moving contact, is a field that encompasses many disciplines: solid state physics, chemistry, materials science, and mechanical engineering. In spite of the practical importance and maturity of the field, the fundamental understanding of basic phenomena has only recently been attacked. An attempt to define some of these problems and indicate some profitable directions for future research is presented. There are three broad classifications: (1) fluid properties (compression, rheology, additives and particulates); (2) material properties of the solids (deformation, defect formation and energy loss mechanisms); and (3) interfacial properties (adhesion, friction chemical reactions, and boundary films). Research in the categories has traditionally been approached by considering macroscopic material properties. Recent activity has shown that some issues can be approached at the atomic level: the atoms in the materials can be manipulated both experimentally and theoretically, and can produce results related to macroscopic phenomena.

Broadband atomic-layer MoS₂ optical modulators for ultrafast pulse generations in the visible range.

PubMed

Zhang, Yuxia; Yu, Haohai; Zhang, Rui; Zhao, Gang; Zhang, Huaijin; Chen, Yanxue; Mei, Liangmo; Tonelli, Mauro; Wang, Jiyang

2017-02-01

Visible lasers are a fascinating regime, and their significance is illustrated by the 2014 Noble prizes in physics and chemistry. With the development of blue laser diodes (LDs), the LD-pumped solid-state visible lasers become a burgeoning direction today. Constrained by the scarce visible optical modulators, the solid-state ultrafast visible lasers are rarely realized. Based on the bandgap structure and optoelectronic properties of atomic-layer MoS₂, it can be proposed that MoS₂ has the potential as a visible optical modulator. Here, by originally revealing layer-dependent nonlinear absorption of the atomic-layer MoS₂ in the visible range, broadband atomic-layer MoS₂ optical modulators for the visible ultrafast pulse generation are developed and selected based on the proposed design criteria for novel two-dimensional (2D) optical modulators. By applying the selected MoS₂ optical modulators in the solid-state praseodymium lasers, broadband mode-locked ultrafast lasers from 522 to 639 nm are originally realized. We believe that this Letter should promote the development of visible ultrafast photonics and further applications of 2D optoelectronic materials.

Publications of LASL research, 1974

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kerr, A.K.

1975-05-01

This bibliography includes Los Alamos Scientific Laboratory reports, papers released as non-Los Alamos reports, journal articles, books, chapters of books, conference papers (whether published separately or as part of conference proceedings issued as books or reports), papers published in congressional hearings, theses, and U. S. patents. Publications by LASL authors which are not records of Laboratory-sponsored work are included when the Library becomes aware of them. The entries are arranged in sections by broad subject categories; within each section they are alphabetical by title. The following subject categories are included: aerospace studies; analytical technology; astrophysics; atomic and molecular physics, equationmore » of state, opacity; biology and medicine; chemical dynamics and kinetics; chemistry; cryogenics; crystallography; CTR and plasma studies; earth science and engineering; energy (non-nuclear); engineering and equipment; EPR, ESR, NMR studies; explosives and detonations; fission physics; health and safety; hydrodynamics and radiation transport; instruments; lasers; mathematics and computers; medium-energy physics; metallurgy and ceramics technology; neutronic and criticality studies; nuclear physics; nuclear safeguards; physics; reactor technology; solid state science; and miscellaneous (including Project Rover). Author, numerical and KWIC indexes are included. (RWR)« less

A Course on the Physics and Chemistry of Pollution

ERIC Educational Resources Information Center

Hodges, Laurent

1971-01-01

Describes a course on environmental pollution which stresses physical and chemical principles. Course presents a unified discussion of air and water pollution and solid waste with special treatment of pesticides, thermal pollution, radioactivity, and electric power generation. Uses historical and current statistics extensively to set pollution…

Surprises in low dimensional spin 1/2 magnets - from crystal chemistry to microscopic magnetic models of complex oxides

NASA Astrophysics Data System (ADS)

Rosner, Helge

2011-03-01

A microscopic understanding of the structure-properties relation in crystalline materials is a main goal of modern solid state chemistry and physics. Due to their peculiar magnetism, low dimensional spin 1/2 systems are often highly sensitive to structural details. Seemingly unimportant structural details can be crucial for the magnetic ground state of a compound, especially in the case of competing interactions, frustration and near-degeneracy. Here, we present for selected, complex Cu 2+ systems that a first principles based approach can reliably provide the correct magnetic model, especially in cases where the interpretation of experimental data meets serious difficulties or fails. We demonstrate that the magnetism of low dimensional insulators crucially depends on the magnetically active orbitals which are determined by details of the ligand field of the magnetic cation. Our theoretical results are in very good agreement with thermodynamic and spectroscopic data and provide deep microscopic insight into topical low dimensional magnets.

Spreadsheet Modeling of Electron Distributions in Solids

ERIC Educational Resources Information Center

Glassy, Wingfield V.

2006-01-01

A series of spreadsheet modeling exercises constructed as part of a new upper-level elective course on solid state materials and surface chemistry is described. The spreadsheet exercises are developed to provide students with the opportunity to interact with the conceptual framework where the role of the density of states and the Fermi-Dirac…

Chemical structure of soil organic matter in slickspots as investigated by advanced solid-state NMR

USDA-ARS?s Scientific Manuscript database

Slickspot soils are saline, and knowledge of their humic chemistry would contribute to our limited understanding how salinity affects soil C and N stocks. We characterized humic acids (HAs) from slickspot soils with solid-state 13C nuclear magnetic resonance (NMR). Expanding on previous use of cross...

Unravelling the chemical characteristics of YSOs

NASA Astrophysics Data System (ADS)

van Dishoeck, Ewine F.

1999-10-01

The formation of stars is accompanied by orders of magnitude changes in the physical conditions, with densities in the envelopes and disks increasing from 104 cm-3 to > 1013 cm-3 and temperatures from ~ 10 K in the cold quiescent gas to 10,000 K in shocked regions. The abundances and excitation of the various molecules respond to these changes, and are therefore excellent probes of the physical evolution of YSOs. Moreover, a comprehensive inventory of the chemical composition of envelopes and disks at different evolutionary stages is essential to study the chemistry of matter as it is incorporated into new solar systems. Recent observations of the envelopes of YSOs using single-dish telescopes and millimeter interferometers clearly reveal the potential of submillimeter lines to probe these physical and chemical changes. However, the existing data generally lack the spatial resolution to separate the different physical components, such as the warm inner envelope or `hot core', the region of interaction of the outflow with the envelope and any possible circumstellar disk. ALMA will be essential to provide an `unblurred' view of the YSO environment and unravel the chemical evolution during star formation. In this talk, an overview will be given of recent single-dish and interferometer results of the chemistry in the envelopes and disks around low- and high-mass young stellar objects. Together with ISO data on solid-state material, these observations lead to a chemical scenario in which both gas-phase and gas-grain chemistry (in particular freeze-out and evaporation) play an important role. The evaporated molecules drive a rich chemistry in the warm gas, which can result in complex organic molecules. The potential of ALMA to test chemical theories and determine the composition of gas and dust as it enters forming planetary systems will be illustrated.

Molecular processes from the AGB to the PN stage

NASA Astrophysics Data System (ADS)

García-Hernández, D. Anibal

2012-08-01

Many complex organic molecules and inorganic solid-state compounds have been observed in the circumstellar shell of stars (both C-rich and O-rich) in the transition phase between Asymptotic Giant Branch (AGB) stars and Planetary Nebulae (PNe). This short (~102-104 years) phase of stellar evolution represents a wonderful laboratory for astrochemistry and provides severe constraints on any model of gas-phase and solid-state chemistry. One of the major challenges of present day astrophysics and astrochemistry is to understand the formation pathways of these complex organic molecules and inorganic solid-state compounds (e.g., polycyclic aromatic hydrocarbons, fullerenes, and graphene in the case of a C-rich chemistry and oxides and crystalline silicates in O-rich environments) in space. In this review, I present an observational review of the molecular processes in the late stages of stellar evolution with a special emphasis on the first detections of fullerenes and graphene in PNe.

Preface: Special Topic Section on Advanced Electronic Structure Methods for Solids and Surfaces.

PubMed

Michaelides, Angelos; Martinez, Todd J; Alavi, Ali; Kresse, Georg; Manby, Frederick R

2015-09-14

This Special Topic section on Advanced Electronic Structure Methods for Solids and Surfaces contains a collection of research papers that showcase recent advances in the high accuracy prediction of materials and surface properties. It provides a timely snapshot of a growing field that is of broad importance to chemistry, physics, and materials science.

An Experiment in Physical Chemistry: Polymorphism and Phase Stability in Acetaminophen (Paracetamol)

ERIC Educational Resources Information Center

Myrick, Michael L.; Baranowski, Megan; Profeta, Luisa T. M.

2010-01-01

Differential scanning calorimetry analyses of two easily prepared polymorphs of acetaminophen (also known as paracetamol) are recorded. The density of the forms can be found in the literature. Rules for heats of transition, heats of fusion, and density, as well as methods for determining the solid-solid transition temperature between the forms,…

Francis bitter national magnet laboratory annual report, July 1991 through June 1992

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1992-06-01

;Contents: Reports on Laboratory Research Programs--Magneto-Optics and Semiconductor Physics, Superconductivity and Magnetism, Solid State Nuclear Magnetic Resonance, Condensed Matter Chemistry, Biomagnetism, Magnet Technology, Instrumentation, Molecular Biophysics, Carbon Filters and Fullerenes; Reports of Visiting Scientists--Reports of Users of the High Magnetic Field Facility, Reports of the Users of the Pulsed Field Facility, Reports of the Users of the High Field NMR Facility; Appendices--Publications and Meeting Speeches, Organization, Summary of High Magnetic Field Facility Use--January 1, 1984 through June 30, 1992, Geographic Distribution of High Magnetic Field Facility Users (Excluding FBNML Staff), Summary of Educational Activities.

Francis Bitter National Magnet Laboratory annual report, July 1990 through June 1991

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1991-06-01

The contents include: reports on laboratory research programs--magneto-optics and semiconductor physics, magnetism, superconductivity, solid state nuclear magnetic resonance, condensed matter chemistry, biomagnetism, magnet technology, instrumentation, molecular biophysics; reports of visiting scientists--reports of users of the high magnetic field facility, reports of users of the pulsed field facility, reports of users of the SQUID magnetometer and Mossbauer facility, reports of users of the high field NMR facility; appendices--publications and meeting speeches, organization, summary of high magnetic field facility use, user tables, geographic distribution of high magnetic field facility users, summary of educational activities.

Francis Bitter National Magnet Laboratory annual report, July 1989 through June 1990

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1990-01-01

Contents: Reports on laboratory research programs: Magneto-optics and semiconductor physics, Magnetism, Superconductivity, Solid state nuclear magnetic resonance, Condensed matter chemistry, Biomagnetism, Magnet technology, Molecular biophysics; Reports of visiting scientists: Reports of users of the High Magnetic Field Facility, Reports of users of the pulsed field facility, Reports of users of the squid magnetometer and Mossbauer facility, Reports of users of the high field NMR facility; Appendices: Publications and meeting speeches, Organization, Summary of high magnetic field facility use, User tables, Geographic distribution of high magnetic field facility users, Summary of educational activities.

On the absence of reverse running waves in general displacement of lattice vibration in popular books on solid state theory

NASA Astrophysics Data System (ADS)

Xia, Shangda; Lou, Liren

2018-05-01

In this article we point out that there is a deficiency in the presentation of the general solution of harmonic lattice vibration, the omission of half of the allowed running waves, in many popular textbooks published since 1940, e.g. O Madelung’s 1978 Introduction to Solid-State Theory and J Solyom’s 2007 Fundamentals of the Physics of Solids, vol 1. So we provide a revised presentation, which gives a complete general solution and demonstrates clearly that the conventional complex normal coordinate should be a superposition of two coordinates (multiplied by a factor \\sqrt{1/2}) of running waves travelling oppositely along q and -q, not only a coordinate of a unidirectional running wave as many books considered. It is noticed that the book, Quantum Theory of the Solid State: An Introduction, by L Kantorovich, published in 2004, and the review article, ‘Phonons in perfect crystals’ by W Cochran and R A Cowly, published in 1967, for a one-dimensional single-atom chain gave correct (but not normalized) formulae for the general solution of lattice vibration and the normal coordinate. However, both of them stated still that each normal coordinate describes an independent mode of vibration, which in our opinion needs to be further discussed. Moreover, in books such as Fundamentals of the Physics of Solids, vol 1, by J Solyom, and The Physics and Chemistry of Solids, by S R Elliott, published in 2006 and 2007, respectively, the reverse waves were still lost. Hence, we also discuss a few related topics. In quantization of the lattice vibration, the introduction of the conventional two (not one) independent phonon operators in a normal coordinate is closely related to the ‘independence’ of the two constituent waves mentioned above, and we propose a simple propositional relation between the phonon operator and the corresponding running wave coordinate. Moreover, only the coordinate of the superposition wave (not the running wave), as the normal coordinate can give the correct quantization commutation relations. In addition, there is an interference between the direct and reverse running waves in kinetic and potential energies, which also questions the popular term ‘normal mode’ for a running wave mode. Therefore we have made a few suggestions and discuss the terms of relative quantities.

Science and Politics in the Philosophy of Science of Popper, Polanyi, and Kuhn

NASA Astrophysics Data System (ADS)

Nye, Mary Jo

2006-05-01

The names of Karl Popper, Michael Polanyi, and Thomas Kuhn are well-known among scientists and among historians and philosophers of science. Around 1960 they published books that excited considerable discussion because of their independent rejection of the philosophical tradition that uses simple empiricism or positivism to differentiate science from religion, metaphysics, ideology, or pseudo-science. Popper's original field of expertise was scientific education and psychology. Polanyi had a distinguished career in physical chemistry and chemical physics, while Kuhn worked briefly in solid-state physics before turning to the philosophy of science. Their descriptions of scientific practices and values have roots not only in their scientific educations and experiences, but also in the political questions of their time. This paper focuses on political dimensions in the philosophical work of these three twentieth-century figures.

List of Organizing Committees and Conference Programme

NASA Astrophysics Data System (ADS)

2012-03-01

Organizers Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research Horia Hulubei National Institute of Physics and Nuclear Engineering - IFIN HH Romanian Neutron Scattering Society Sponsors Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research Horia Hulubei National Institute of Physics and Nuclear Engineering - IFIN HH Comenius University in Bratislava, Slovakia Institute of Macromolecular Chemistry AS CR, Czech Republic Programme Committee Valentin Gordely (chairman)Joint Institute for Nuclear Research, Russia Heinrich StuhrmannGermany Jose TeixeiraLaboratoire Leon Brillouin, France Pavel ApelJoint Institute for Nuclear Research, Russia Pavol BalgavyComenius University in Bratislava, Slovakia Alexander BelushkinJoint Institute for Nuclear Research, Russia Georg BueldtInstitute of Structural Biology and Biophysics (ISB), Germany Leonid BulavinTaras Shevchenko National University of Kyiv, Ukraine Emil BurzoBabes-Bolyai University, Romania Vadim CherezovThe Scripps Research Institute, Department of Molecular Biology, USA Ion IonitaRomanian Society of Neutron Scattering, Romania Alexei KhokhlovMoscow State University, Russia Aziz MuzafarovInstitute of Synthetic Polymeric Materials, Russian Academy of Sciences, Russia Alexander OzerinInstitute of Synthetic Polymeric Materials, Russian Academy of Sciences, Russia Gerard PepyResearch Institute for Solid State Physics and Optics, Hungary Josef PlestilInstitute of Macromolecular Chemistry CAS, Czech Republic Aurel RadulescuJuelich Centre for Neutron Science JCNS, Germany Maria BalasoiuJoint Institute for Nuclear Research, Russia Alexander KuklinJoint Institute for Nuclear Research, Russia Local Organizing Committee Alexander Kuklin - Chairman Maria Balasoiu - Co-chairman Tatiana Murugova - Secretary Natalia Malysheva Natalia Dokalenko Julia Gorshkova Andrey Rogachev Oleksandr Ivankov Dmitry Soloviev Lilia Anghel Erhan Raul The PDF also contains the Conference Programme.

Computer Series, 101: Accurate Equations of State in Computational Chemistry Projects.

ERIC Educational Resources Information Center

Albee, David; Jones, Edward

1989-01-01

Discusses the use of computers in chemistry courses at the United States Military Academy. Provides two examples of computer projects: (1) equations of state, and (2) solving for molar volume. Presents BASIC and PASCAL listings for the second project. Lists 10 applications for physical chemistry. (MVL)

Direct determination of solid-electrolyte interphase thickness and composition as a function of state of charge on a silicon anode

DOE PAGES

Veith, Gabriel M.; Doucet, Mathieu; Baldwin, J. K.; ...

2015-08-17

Using neutron reflectometry we have determined the thickness and chemistry of the solid-electrolyte interphase (SEI) layer grown on a silicon anode as a function of state of charge and during cycling. We show the chemistry of this SEI layer becomes more LiF like with increasing lithiation and more Li-C-O-F like with delithiation. More importantly the SEI layer thickness appears to increase (about 250 ) as the electrode becomes less lithiated and thins to 180 with increasing Li content (Li 3.7Si). We attribute this breathing to the continual consumption of electrolyte with cycling.

Emerging New Physics with Major Implications for Energy Technology, Biology, and Medicine

NASA Astrophysics Data System (ADS)

Mallove, Eugene F.

2003-03-01

In the past 15 years, reproducible experiments and prototype technological devices have emerged that may revolutionize much of physics and chemistry(despite the common perception that modern physics is on very solid ground and is nearing a "Theory of Everything"). This new physics has flourished despite very strong opposition by the entrenched foundational paradigms within physics and chemistry ( not to forget vested financial interests within academia). In fact, beginning with "cold fusion" (more generically low-energy nuclear reactions, LENR), one of the most important discoveries of the late 20th Century has been the irrefutable proof of the failure of the physics establishment to deal ethically and appropriately with potential and real paradigm shifts, when its "sacred writ" ( i.e. Its textbooks) -- are threatened with the need for massive revision.

The Relationship Between Responses to Science Concepts on a Semantic Differential Instrument and Achievement in Freshman Physics and Chemistry.

ERIC Educational Resources Information Center

Rothman, Arthur Israel

Students taking freshman physics and freshman chemistry at The State University of New York at Buffalo (SUNYAB) were administered a science-related semantic differential instrument. This same test was administered to physics and chemistry graduate students from SUNYAB and the University of Rochester. A scoring procedure was developed which…

Solid State Physics in the People's Republic of China. A Trip Report of the American Solid State Physics Delegation.

ERIC Educational Resources Information Center

Fitzgerald, Anne; Slichter, Charles P.

This is the fifth chapter of a six chapter report which discusses Chinese research and education in solid state physics, and their relations to technology and the other sciences. This specific chapter concerns the communication of information in the scientific community and the transfer of information to students and practical users…

Solid State Division annual progress report for period ending December 31, 1975

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilkinson, M.K.; Young, F.W. Jr.

1976-05-01

Research activities are reported in programs on theoretical solid state physics, physical properties of solids, radiation effects in metals, neutron scattering, research materials, and isotope research materials. (JRD)

Proceedings of U. S. Workshop on the Physics and Chemistry of Mercury Cadmium Telluride and Other IR Materials, Held in Danvers, Massachusetts on October 13 - 15, 1992

DTIC Science & Technology

1992-10-15

1011 4. R.D. Feldman, D. Lee, A. Partovi, R.P. Stanley, A.M. Johnson. J.E. Zucker, A.M. Glass and J. Hegarty, Critical Rev. SolidBromine 2 x 101 State...Growth 72, 462 (1985). 63. R.L. Chou, M.S. Lin and K.S. Chou, App!. Phys. Lett. 48, 523 32. H.L. Glass , M.R. Appleby Woods, M.C. Buehnerkemper, D.L. (1986...0.0A1203 1.76 0.0 will be assumed throughout this paper unless stated TeO2 2.31 0.0 otherwise. Au 0.183 3.10 The most common usage of an ellipsometer in

Ceramic microstructure and adhesion

NASA Technical Reports Server (NTRS)

Buckley, D. H.

1984-01-01

When a ceramic is brought into contact with a ceramic, a polymer, or a metal, strong bond forces can develop between the materials. The bonding forces will depend upon the state of the surfaces, cleanliness and the fundamental properties of the two solids, both surface and bulk. Adhesion between a ceramic and another solid are discussed from a theoretical consideration of the nature of the surfaces and experimentally by relating bond forces to interface resulting from solid state contact. Surface properties of ceramics correlated with adhesion include, orientation, reconstruction and diffusion as well as the chemistry of the surface specie. Where a ceramic is in contact with a metal their interactive chemistry and bond strength is considered. Bulk properties examined include elastic and plastic behavior in the surficial regions, cohesive binding energies, crystal structures and crystallographic orientation. Materials examined with respect to interfacial adhesive interactions include silicon carbide, nickel zinc ferrite, manganese zinc ferrite, and aluminum oxide. The surfaces of the contacting solids are studied both in the atomic or molecularly clean state and in the presence of selected surface contaminants.

Ceramic microstructure and adhesion

NASA Technical Reports Server (NTRS)

Buckley, D. H.

1985-01-01

When a ceramic is brought into contact with a ceramic, a polymer, or a metal, strong bond forces can develop between the materials. The bonding forces will depend upon the state of the surfaces, cleanliness and the fundamental properties of the two solids, both surface and bulk. Adhesion between a ceramic and another solid are discussed from a theoretical consideration of the nature of the surfaces and experimentally by relating bond forces to interface resulting from solid state contact. Surface properties of ceramics correlated with adhesion include, orientation, reconstruction and diffusion as well as the chemistry of the surface specie. Where a ceramic is in contact with a metal their interactive chemistry and bond strength is considered. Bulk properties examined include elastic and plastic behavior in the surficial regions, cohesive binding energies, crystal structures and crystallographic orientation. Materials examined with respect to interfacial adhesive interactions include silicon carbide, nickel zinc ferrite, manganese zinc ferrite, and aluminum oxide. The surfaces of the contacting solids are studied both in the atomic or molecularly clean state and in the presence of selected surface contaminants.

PREFACE: XV International Seminar on Physics and Chemistry of Solids

NASA Astrophysics Data System (ADS)

Kotur, Bogdan; Brągiel, Piotr

2011-03-01

                  Logo     Logo The XV International Seminar on Physics and Chemistry of Solids (ISPCS15) was held from 7-10 June 2009 in Szklarska Poręba. Over eighty participants joined together in this mountain resort, at the foot of Szrenica peak, in the Polish part of the Sudety range. The majority or participants, in accordance with Seminar tradition, were from Ukraine and Poland. The pleasant and warm atmosphere created by the organizers was conducive to fruitful discussions, making new contacts and to joyful gatherings with friends. Even the rainy weather could not change that. Lectures and communications mainly covered the fields of solid state physics and chemistry, and possible applications. This time, however, a new section was introduced - one devoted to modern topics in liquid chemistry. Sometimes such a look over the borders of scientific specialties leads to interesting insights and original research solutions. Some of the papers presented during ISPCS15 are collected in this volume. Their diversity is representative of both the scope and character of this Seminar. The majority of the papers are research reports, but a review article and a paper focussed on problems connected with environmental protection are also included. This Conference has functioned for over a decade due to the permanent support of the rectors of both co-organizing universities: Professor Ivan Vakarchuk from Ivan Franko National University of Lviv and Professor Zygmunt Bąk from Jan Dlugosz University in Częstochowa. It is our pleasure, on behalf of the all participants of the past Seminars, to express our gratitude for this assistance. We would also like to thank all the invited speakers who kindly accepted our invitation, namely Professors Roman Gladyshevskii (Ivan Franko National University, Lviv, Ukraine), Mihaela Gulea (Laboratoire de Chimie Moleculare et Thioorganique, CAEN, France), Osama I Abd El-Salam (National Research Centre Dokki, Cairo, Egypt), Jarosław Lewkowski (University of Łódź, Łódź, Poland), Jean Ebothe (University of Reims Champagne-Ardenne, France), Alain Gibaud (University du Maine, Le Mans, France), and Zbigniew Czapla (University of Wrocław, Wrocław, Poland). Finally, it is both our duty and pleasure to express our gratitude for the work done by the referees. Without their efforts many of the papers in this volume would not have been improved. Bogdan Kotur, LvivPiotr Brągiel, Częstochowa

Let Students Derive, by Themselves, Two-Dimensional Atomic and Molecular Quantum Chemistry from Scratch

ERIC Educational Resources Information Center

Ge, Yingbin

2016-01-01

Hands-on exercises are designed for undergraduate physical chemistry students to derive two-dimensional quantum chemistry from scratch for the H atom and H[subscript 2] molecule, both in the ground state and excited states. By reducing the mathematical complexity of the traditional quantum chemistry teaching, these exercises can be completed…

Integrating Condensed Matter Physics into a Liberal Arts Physics Curriculum

NASA Astrophysics Data System (ADS)

Collett, Jeffrey

2008-03-01

The emergence of nanoscale science into the popular consciousness presents an opportunity to attract and retain future condensed matter scientists. We inject nanoscale physics into recruiting activities and into the introductory and the core portions of the curriculum. Laboratory involvement and research opportunity play important roles in maintaining student engagement. We use inexpensive scanning tunneling (STM) and atomic force (AFM) microscopes to introduce students to nanoscale structure early in their college careers. Although the physics of tip-surface interactions is sophisticated, the resulting images can be interpreted intuitively. We use the STM in introductory modern physics to explore quantum tunneling and the properties of electrons at surfaces. An interdisciplinary course in nanoscience and nanotechnology course team-taught with chemists looks at nanoscale phenomena in physics, chemistry, and biology. Core quantum and statistical physics courses look at effects of quantum mechanics and quantum statistics in degenerate systems. An upper level solid-state physics course takes up traditional condensed matter topics from a structural perspective by beginning with a study of both elastic and inelastic scattering of x-rays from crystalline solids and liquid crystals. Students encounter reciprocal space concepts through the analysis of laboratory scattering data and by the development of the scattering theory. The course then examines the importance of scattering processes in band structure and in electrical and thermal conduction. A segment of the course is devoted to surface physics and nanostructures where we explore the effects of restricting particles to two-dimensional surfaces, one-dimensional wires, and zero-dimensional quantum dots.

The United States Army Medical Department Journal, January - March 2009

DTIC Science & Technology

2009-03-01

and performing routine chemistry testing for moisture, protein, fat , and solids. Chemistry methods range from simple extractions for percent fat ...States and abroad. The risk for food and waterborne disease is greatest in regions with fractured public health and veterinary infrastructure, lack of a...surgery during the deployment. Two aural hematoma repairs, an extraction of an abscessed tooth, and a root canal on a fractured canine tooth were

Density Optimization of Lithium Lanthanum Titanate Ceramics for Lightweight Lithium-Air Batteries

DTIC Science & Technology

2014-11-01

Thangadurai V, Weppner W. Lithium lanthanum titanates: a review. Chemistry of Materials. 2003;15:3974–3990. 4. Knauth P. Inorganic solid Li ion conductors...an overview. Solid State Ionics. 2009;180:911–916. 5. Ban CW, Choi GM. The effect of sintering on the grain boundary conductivity of lithium ...lanthanum titanates. Solid State Ionics. 2001;140:285–292. 6. Inada R, Kimura K, Kusakabe K, Tojo T, Sakurai Y. Synthesis and lithium -ion conductivity

One Part Nuclear, One Part Solid State: Fifty Years of Mössbauer Spectroscopy

NASA Astrophysics Data System (ADS)

Westfall, Catherine

2004-05-01

Starting in 1955 Rudolf Mössbauer conducted experiments that would demonstrate in the next three years that an atomic nucleus in a crystal does not recoil when it emits a gamma ray and provides the entire emitted energy to the gamma ray. The resonance spectroscopy made possible by this discovery led to fifty years of scientific explorations in a wide variety of fields including nuclear and solid state physics, chemistry, and geology. At the current time, Mössbauer spectroscopy is a vital part of science programs, both in many laboratories and at world-class light sources, such as Argonnes Advanced Photon Source. This paper will focus on the history of multidisciplinary Mössbauer research at Argonne National Laboratory and particularly on the interaction between nuclear and condensed matter physicists. This was necessary because of the ultra-high energy resolution of the Mössbauer resonance with its ability to resolve hyperfine interactions between the nuclear moments (nuclear charge distribution, the nuclear magnetic moment, and nuclear quadrupole moment) and corresponding solid state properties (electron charge distribution at the nucleus, magnetic field at the nucleus, and electric field gradient at the nucleus.) Understanding and exploiting Mössbauer spectroscopy therefore required work at the intersection of nuclear and solid state physics and the skills and knowledge of both specialties. The paper will start with the discovery and confirmation of the Mössbauer effect. Then it will outline early important experiments, such as the use of Mössbauer spectroscopy to confirm Einsteins general theory of relativity, and give an overview of the rapid expansion of this research tool, first with the use of Fe57 and later with the use of other isotopes. In particular the paper will focus on Argonnes cutting-edge Mössbauer work on transuranics. This work built on the resources and expertise first developed at the laboratory during WWII and brought together not only nuclear and condensed matter physicists, but also chemists, material scientists, and others.

Beyond the Compositional Threshold of Nanoparticle-Based Materials.

PubMed

Portehault, David; Delacroix, Simon; Gouget, Guillaume; Grosjean, Rémi; Chan-Chang, Tsou-Hsi-Camille

2018-04-17

The design of inorganic nanoparticles relies strongly on the knowledge from solid-state chemistry not only for characterization techniques, but also and primarily for choosing the systems that will yield the desired properties. The range of inorganic solids reported and studied as nanoparticles is however strikingly narrow when compared to the solid-state chemistry portfolio of bulk materials. Efforts to enlarge the collection of inorganic particles are becoming increasingly important for three reasons. First, they can yield materials more performing than current ones for a range of fields including biomedicine, optics, catalysis, and energy. Second, looking outside the box of common compositions is a way to target original properties or to discover genuinely new behaviors. The third reason lies in the path followed to reach these novel nano-objects: exploration and setup of new synthetic approaches. Indeed, willingness to access original nanoparticles faces a synthetic challenge: how to reach nanoparticles of solids that originally belong to the realm of solid-state chemistry and its typical protocols at high temperature? To answer this question, alternative reaction pathways must be sought, which may in turn provide tracks for new, untargeted materials. The corresponding strategies require limiting particle growth by confinement at high temperatures or by decreasing the synthesis temperature. Both approaches, especially the latter, provide a nice playground to discover metastable solids never reported before. The aim of this Account is to raise attention to the topic of the design of new inorganic nanoparticles. To do so, we take the perspective of our own work in the field, by first describing synthetic challenges and how they are addressed by current protocols. We then use our achievements to highlight the possibilities offered by new nanomaterials and to introduce synthetic approaches that are not in the focus of recent literature but hold, in our opinion, great promise. We will span methods of low temperature "chimie douce" aqueous synthesis coupled to microwave heating, sol-gel chemistry and processing coupled to solid state reactions, and then molten salt synthesis. These protocols pave the way to metastable low valence oxyhydroxides, vanadates, perovskite oxides, boron carbon nitrides, and metal borides, all obtained at the nanoscale with structural and morphological features differing from "usual" nanomaterials. These nano-objects show original properties, from sensing, thermoelectricity, charge and spin transports, photoluminescence, and catalysis, which require advanced characterization of surface states. We then identify future trends of synthetic methodologies that will merit further attention in this burgeoning field, by emphasizing the importance of unveiling reaction mechanisms and coupling experiments with modeling.

Surface studies relevant to silicon carbide chemical vapor deposition

NASA Technical Reports Server (NTRS)

Stinespring, C. D.; Wormhoudt, J. C.

1989-01-01

Reactions of C2H4, C3H8, and CH4 on the Si(111) surface and C2H4 on the Si(100) surface were investigated for surface temperatures in the range of 1062-1495 K. Results led to the identification of the reaction products, a characterization of the solid-state transport process, a determination of the nucleation mechanism and growth kinetics, and an assessment of orientation effects. Based on these results and on the modeling studies of Stinespring and Wormhoudt (1988) on the associated gas phase chemistry, a physical model for the two-step beta-SiC CVD process is proposed.

Design of Molecular Materials: Supramolecular Engineering

NASA Astrophysics Data System (ADS)

Simon, Jacques; Bassoul, Pierre

2001-02-01

This timely and fascinating book is destined to be recognised as THE book on supramolecular engineering protocols. It covers this sometimes difficult subject in an approachable form, gathering together information from many sources. Supramolecular chemistry, which links organic chemistry to materials science, is one of the fastest growth areas of chemistry research. This book creates a correlation between the structure of single molecules and the physical and chemical properties of the resulting materials. By making systematic changes to the component molecules, the resulting solid can be engineered for optimum performance. There is a clearly written development from synthesis of designer molecules to properties of solids and further on to devices and complex materials systems, providing guidelines for mastering the organisation of these systems. Topics covered include: Systemic chemistry Molecular assemblies Notions of symmetry Supramolecular engineering Principe de Curie Organisation in molecular media Molecular semiconductors Industrial applications of molecular materials This superb book will be invaluable to researchers in the field of supramolecular materials and also to students and teachers of the subject.

New chemistry of transition metal oxyhydrides

PubMed Central

Kobayashi, Yoji; Hernandez, Olivier; Tassel, Cédric; Kageyama, Hiroshi

2017-01-01

Abstract In this review we describe recent advances in transition metal oxyhydride chemistry obtained by topochemical routes, such as low temperature reduction with metal hydrides, or high-pressure solid-state reactions. Besides the crystal chemistry, magnetic and transport properties of the bulk powder and epitaxial thin film samples, the remarkable lability of the hydride anion is particularly highlighted as a new strategy to discover unprecedented mixed anion materials. PMID:29383042

Coupling between crystal structure and magnetism in transition-metal oxides

NASA Astrophysics Data System (ADS)

Barton, Phillip Thomas

Transition-metal oxides exhibit a fascinating array of phenomena ranging from superconductivity to negative thermal expansion to catalysis. This dissertation focuses on magnetism, which is integral to engineering applications such as data storage, electric motors/generators, and transformers. The investigative approach follows structure-property relationships from materials science and draws on intuition from solid-state chemistry. The interplay between crystal structure and magnetic properties is studied experimentally in order to enhance the understanding of magnetostructural coupling mechanisms and provide insight into avenues for tuning behavior. A combination of diffraction and physical property measurements were used to study structural and magnetic phase transitions as a function of chemical composition, temperature, and magnetic field. The systems examined are of importance in Li-ion battery electrochemistry, condensed-matter physics, solid-state chemistry, and p-type transparent conducting oxides. The materials were prepared by solid-state reaction of powder reagents at high temperatures for periods lasting tens of hours. The first project discussed is of a solid solution between NiO, a correlated insulator, and LiNiO2, a layered battery cathode. Despite the deceptive structural and compositional simplicity of this system, a complete understanding of its complex magnetic properties has remained elusive. This study shows that nanoscale domains of chemical order form at intermediate compositions, creating interfaces between antiferromagnetism and ferrimagnetism that give rise to magnetic exchange bias. A simple model of the magnetism is presented along with a comprehensive phase diagram. The second set of investigations focus on the Ge-Co-O system where the spin-orbit coupling of Co(II) plays a significant role. GeCo2O 4 is reported to exhibit unusual magnetic behavior that arises from Ising spin in its spinel crystal structure. Studies by variable-temperature synchrotron X-ray diffraction reveal a magnetostructural transition and capacitance measurements show evidence for magnetodielectric behavior. The above work uncovered a Co10Ge3O16 phase that had a known structure but whose physical properties were largely uncharacterized. This project examined its metamagnetic properties using detailed magnetometry experiments. Upon the application of a magnetic field, this material goes through a first-order phase transition from a noncollinear antiferromagnet to an unknown ferrimagnetic state. Lastly, this thesis explored the chemical dilution of magnetism in some perovskite and delafossite solid solutions. In the perovskite structure, compositions intermediate to the endmembers SrRuO3, a ferromagnetic metal, and LaRhO3, a diamagnetic semiconductor, were investigated. While the magnetism of this system is poised between localized and itinerant behavior, a compositionally-driven metal to insulator transition, revealed by electrical resistivity measurements, did not strongly impact the magnetic properties. Instead, both octahedral tilting and magnetic dilution had strong effects, and comparison of this characterization to Sr1-- x CaxRuO3 reinforces the important role of structural distortions in determining magnetic ground state. The final materials studied were of composition CuAl1-- xCrxO2 (0 < x < 1) in the delafossite structure. The primary interest was the geometric frustration of antiferromagnetism in CuCrO 2 and significant short-range correlations were observed above TN. The analysis found that reducing the number of degenerate states through Al substitution did not enhance magnetic ordering because of the weakening of magnetic exchange.

Mechanochemical Synthesis of Two Polymorphs of the Tetrathiafulvalene-Chloranil Charge Transfer Salt: An Experiment for Organic Chemistry

ERIC Educational Resources Information Center

Wixtrom, Alex; Buhler, Jessica; Abdel-Fattah, Tarek

2014-01-01

Mechanochemical syntheses avoid or considerably reduce the use of reaction solvents, thus providing green chemistry synthetic alternatives that are both environmentally friendly and economically advantageous. The increased solid-state reactivity generated by mechanical energy imparted to the reactants by grinding or milling can offer alternative…

Toward a Reasoned Classification of Diseases Using Physico-Chemical Based Phenotypes

PubMed Central

Schwartz, Laurent; Lafitte, Olivier; da Veiga Moreira, Jorgelindo

2018-01-01

Background: Diseases and health conditions have been classified according to anatomical site, etiological, and clinical criteria. Physico-chemical mechanisms underlying the biology of diseases, such as the flow of energy through cells and tissues, have been often overlooked in classification systems. Objective: We propose a conceptual framework toward the development of an energy-oriented classification of diseases, based on the principles of physical chemistry. Methods: A review of literature on the physical chemistry of biological interactions in a number of diseases is traced from the point of view of the fluid and solid mechanics, electricity, and chemistry. Results: We found consistent evidence in literature of decreased and/or increased physical and chemical forces intertwined with biological processes of numerous diseases, which allowed the identification of mechanical, electric and chemical phenotypes of diseases. Discussion: Biological mechanisms of diseases need to be evaluated and integrated into more comprehensive theories that should account with principles of physics and chemistry. A hypothetical model is proposed relating the natural history of diseases to mechanical stress, electric field, and chemical equilibria (ATP) changes. The present perspective toward an innovative disease classification may improve drug-repurposing strategies in the future. PMID:29541031

Fabrication, characterization and applications of iron selenide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hussain, Raja Azadar, E-mail: hussainazadar@yahoo.com; Badshah, Amin; Lal, Bhajan

This review article presents fabrication of FeSe by solid state reactions, solution chemistry routes, chemical vapor deposition, spray pyrolysis and chemical vapor transport. Different properties and applications such as crystal structure and phase transition, band structure, spectroscopy, superconductivity, photocatalytic activity, electrochemical sensing, and fuel cell activity of FeSe have been discussed. - Graphical abstract: Iron selenide can be synthesized by solid state reactions, chemical vapor deposition, solution chemistry routes, chemical vapor transport and spray pyrolysis. - Highlights: • Different fabrication methods of iron selenide (FeSe) have been reviewed. • Crystal structure, band structure and spectroscopy of FeSe have been discussed.more » • Superconducting, catalytic and fuel cell application of FeSe have been presented.« less

What is What in the Nanoworld: A Handbook on Nanoscience and Nanotechnology

NASA Astrophysics Data System (ADS)

Borisenko, Victor E.; Ossicini, Stefano

2004-10-01

This introductory, reference handbook summarizes the terms and definitions, most important phenomena, and regulations discovered in the physics, chemistry, technology, and application of nanostructures. These nanostructures are typically inorganic and organic structures at the atomic scale. Fast progressing nanoelectronics and optoelectronics, molecular electronics and spintronics, nanotechnology and quantum processing of information, are of strategic importance for the information society of the 21st century. The short form of information taken from textbooks, special encyclopedias, recent original books and papers provides fast support in understanding "old" and new terms of nanoscience and technology widely used in scientific literature on recent developments. Such support is indeed important when one reads a scientific paper presenting new results in nanoscience. A representative collection of fundamental terms and definitions from quantum physics, and quantum chemistry, special mathematics, organic and inorganic chemistry, solid state physics, material science and technology accompanies recommended second sources (books, reviews, websites) for an extended study of a subject. Each entry interprets the term or definition under consideration and briefly presents main features of the phenomena behind it. Additional information in the form of notes ("First described in: ?", "Recognition: ?", "More details in: ?") supplements entries and gives a historical retrospective of the subject with reference to further sources. Ideal for answering questions related to unknown terms and definitions of undergraduate and Ph.D. students studying the physics of low-dimensional structures, nanoelectronics, nanotechnology. The handbook provides fast support, when one likes to know or to remind the essence of a scientific term, especially when it contains a personal name in its title, like in terms "Anderson localization", "Aharonov-Bohm effect", "Bose-Einstein condensate", e.t.c. More than 1000 entries, from a few sentences to a page in length.

Batteries at NASA - Today and Beyond

NASA Technical Reports Server (NTRS)

Reid, Concha M.

2015-01-01

NASA uses batteries for virtually all of its space missions. Batteries can be bulky and heavy, and some chemistries are more prone to safety issues than others. To meet NASA's needs for safe, lightweight, compact and reliable batteries, scientists and engineers at NASA develop advanced battery technologies that are suitable for space applications and that can satisfy these multiple objectives. Many times, these objectives compete with one another, as the demand for more and more energy in smaller packages dictates that we use higher energy chemistries that are also more energetic by nature. NASA partners with companies and universities, like Xavier University of Louisiana, to pool our collective knowledge and discover innovative technical solutions to these challenges. This talk will discuss a little about NASA's use of batteries and why NASA seeks more advanced chemistries. A short primer on battery chemistries and their chemical reactions is included. Finally, the talk will touch on how the work under the Solid High Energy Lithium Battery (SHELiB) grant to develop solid lithium-ion conducting electrolytes and solid-state batteries can contribute to NASA's mission.

Quantum chemistry study of dielectric materials deposition

NASA Astrophysics Data System (ADS)

Widjaja, Yuniarto

The drive to continually decrease the device dimensions of integrated circuits in the microelectronics industry requires that deposited films approach subnanometer thicknesses. Hence, a fundamental understanding of the physics and chemistry of film deposition is important to obtain better control of the properties of the deposited film. We use ab initio quantum chemistry calculations to explore chemical reactions at the atomic level. Important thermodynamic and kinetic parameters are then obtained, which can then be used as inputs in constructing first-principles based reactor models. Studies of new systems for which data are not available can be conducted as well. In this dissertation, we use quantum chemistry simulations to study the deposition of gate dielectrics for metal-oxide-semiconductor (MOS) devices. The focus of this study is on heterogeneous reactions between gaseous precursors and solid surfaces. Adsorbate-surface interactions introduce additional degrees of complexity compared to the corresponding gas-phase or solid-state reactions. The applicability and accuracy of cluster approximations to represent solid surfaces are first investigated. The majority of our results are obtained using B3LYP density functional theory (DFT). The structures of reactants, products, and transition states are obtained, followed by calculations of thermochemical and kinetic properties. Whenever experimental data are available, qualitative and/or quantitative comparisons are drawn. Atomistic mechanisms and the energetics of several reactions leading to the deposition of SiO2, Si3N4, and potential new high-kappa materials such as ZrO2, HfO2, and Al 2O3 have been explored in this dissertation. Competing reaction pathways are explored for each of the deposition reactions studied. For example, the potential energy surface (PES) for ZrO2 ALD shows that the reactions proceed through a trapping-mediated mechanism, which results in a competition between desorption and decomposition of the gaseous reactants, i.e. ZrCl4 and H2O, on the ZrO2 surface. This competition results in relatively low saturation coverage, which consequently leads to a slow growth rate and possibly affects the thickness uniformity and conformality. The insights gained are then used to systematically improve deposition reactions. For instance, from the ZrO2 ALD PES, we are able to suggest the use of high temperature and pressure to obtain higher surface coverage.

Intense Plasma Waveguide Terahertz Sources for High-Field THz Probe Science with Ultrafast Lasers for Solid State Physics

DTIC Science & Technology

2016-08-25

AFRL-AFOSR-UK-TR-2016-0029 Intense Plasma-Waveguide Terahertz Sources for High-Field THz probe science with ultrafast lasers for Solid State Physics...Plasma-Waveguide Terahertz Sources for High-Field THz probe science with ultrafast lasers for Solid State Physics, 5a.  CONTRACT NUMBER 5b.  GRANT...an existing high energy laser system, has been applied to the study of intense terahertz radiation generated in gaseous plasmas in purpose

Contact Angle of Drops Measured on Nontransparent Surfaces and Capillary Flow Visualized

NASA Technical Reports Server (NTRS)

Chao, David F.; Zhang, Nengli

2003-01-01

The spreading of a liquid on a solid surface is important for various practical processes, and contact-angle measurements provide an elegant method to characterize the interfacial properties of the liquid with the solid substrates. The complex physical processes occurring when a liquid contacts a solid play an important role in determining the performance of chemical processes and materials. Applications for these processes are in printing, coating, gluing, textile dyeing, and adhesives and in the pharmaceutical industry, biomedical research, adhesives, flat panel display manufacturing, surfactant chemistry, and thermal engineering.

Advances in Solid State Physics

NASA Astrophysics Data System (ADS)

Kramer, Bernhard

The present volume 45 of Advances in Solid-State Physics contains the written versions of selected invited lectures from the spring meeting of the Arbeitskreis Festkörperphysik of the Deutsche Physikalische Gesellschaft in the World Year of Physics 2005, the Einstein Year, which was held from 4 - 11 March 2005 in Berlin, Germany. Many topical talks given at the numerous symposia are included. Most of these were organized collaboratively by several of the divisions of the Arbeitskreis. The book presents, to some extent, the status of the field of solid-state physics in 2005 not only in Germany but also internationally.

Solid state division progress report, period ending February 29, 1980

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1980-09-01

Research is reported concerning theoretical solid state physics; surface and near-surface properties of solids; defects in solids; transport properties of solids; neutron scattering; crystal growth and characterization; and isotope research materials.

Impact of chemistry on Standard High Solids Vessel Design mixing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Poirier, M.

2016-03-02

The plan for resolving technical issues regarding mixing performance within vessels of the Hanford Waste Treatment Plant Pretreatment Facility directs a chemical impact study to be performed. The vessels involved are those that will process higher (e.g., 5 wt % or more) concentrations of solids. The mixing equipment design for these vessels includes both pulse jet mixers (PJM) and air spargers. This study assesses the impact of feed chemistry on the effectiveness of PJM mixing in the Standard High Solids Vessel Design (SHSVD). The overall purpose of this study is to complement the Properties that Matter document in helping tomore » establish an acceptable physical simulant for full-scale testing. The specific objectives for this study are (1) to identify the relevant properties and behavior of the in-process tank waste that control the performance of the system being tested, (2) to assess the solubility limits of key components that are likely to precipitate or crystallize due to PJM and sparger interaction with the waste feeds, (3) to evaluate the impact of waste chemistry on rheology and agglomeration, (4) to assess the impact of temperature on rheology and agglomeration, (5) to assess the impact of organic compounds on PJM mixing, and (6) to provide the technical basis for using a physical-rheological simulant rather than a physical-rheological-chemical simulant for full-scale vessel testing. Among the conclusions reached are the following: The primary impact of precipitation or crystallization of salts due to interactions between PJMs or spargers and waste feeds is to increase the insoluble solids concentration in the slurries, which will increase the slurry yield stress. Slurry yield stress is a function of pH, ionic strength, insoluble solids concentration, and particle size. Ionic strength and chemical composition can affect particle size. Changes in temperature can affect SHSVD mixing through its effect on properties such as viscosity, yield stress, solubility, and vapor pressure, or chemical reactions that occur at high temperatures. Organic compounds will affect SHSVD mixing through their effect on properties such as rheology, particle agglomeration/size, particle density, and particle concentration.« less

The Application of High-Resolution Electron Microscopy to Problems in Solid State Chemistry: The Exploits of a Peeping TEM.

ERIC Educational Resources Information Center

Eyring, LeRoy

1980-01-01

Describes methods for using the high-resolution electron microscope in conjunction with other tools to reveal the identity and environment of atoms. Problems discussed include the ultimate structure of real crystalline solids including defect structure and the mechanisms of chemical reactions. (CS)

Molecular Chemistry and Engineering of Boron-Modified Polyorganosilazanes as New Processable and Functional SiBCN Precursors.

PubMed

Viard, Antoine; Fonblanc, Diane; Schmidt, Marion; Lale, Abhijeet; Salameh, Chrystelle; Soleilhavoup, Anne; Wynn, Mélanie; Champagne, Philippe; Cerneaux, Sophie; Babonneau, Florence; Chollon, Georges; Rossignol, Fabrice; Gervais, Christel; Bernard, Samuel

2017-07-06

A series of boron-modified polyorganosilazanes was synthesized from a poly(vinylmethyl-co-methyl)silazane and controlled amounts of borane dimethyl sulfide. The role of the chemistry behind their synthesis has been studied in detail by using solid-state NMR spectroscopy, FTIR spectroscopy, and elemental analysis. The intimate relationship between the chemistry and the processability of these polymers is discussed. Polymers with low boron contents displayed appropriate requirements for facile processing in solution, such as impregnation of host carbon materials, which resulted in the design of mesoporous monoliths with a high specific surface area after pyrolysis. Polymers with high boron content are more appropriate for solid-state processing to design mechanically robust monolith-type macroporous and dense structures after pyrolysis. Boron acts as a crosslinking element, which offers the possibility to extend the processability of polyorganosilazanes and suppress the distillation of oligomeric fragments in the low-temperature region of their thermal decomposition (i.e., pyrolysis) at 1000 °C under nitrogen. Polymers with controlled and high ceramic yields were generated. We provide a comprehensive mechanistic study of the two-step thermal decomposition based on a combination of thermogravimetric experiments coupled with elemental analysis, solid-state NMR spectroscopy, and FTIR spectroscopy. Selected characterization tools allowed the investigation of specific properties of the monolith-type SiBCN materials. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Installation Restoration Program. Phase 2. Confirmation/Quantification Stage 1. US Air Force Plant Number 42, Palmdale, California. Volume 1

DTIC Science & Technology

1987-02-20

Bacteriology; 8 years professional experience; served as Project Health and Safety Officer. 1-37 o Duane R. Boline - Ph.D. in Analytical Chemistry ; M.S. in... Chemistry ; B.S.E. in Physical Science; 18 years professional experience; served as Project Quality Assurance Officer. Complete biographical data...University, 1962 M.S., Chemistry , Einporia State University 1965 Ph.D., Analytical Chemistry , Kansas State University, 1975

The mineral chemistry and origin of inclusion matrix and meteorite matrix in the Allende CV3 chondrite

NASA Technical Reports Server (NTRS)

Kornacki, A. S.; Wood, J. A.

1984-01-01

The mineralogy and mineral chemistry of the inclusion and meteorite matrices in the Allende CV3 chondrite are described, and the physical and chemical parameters of the conventional equilibrium condensation model of the origin of chondrite meteorites are evaluated. An alternative model of the origin of the mafic constituent of Allende inclusions is presented, on the basis of a new model of chondrule petrogenesis and the physical evolution of the primitive solar nebula. The model shows that the mineral chemistry of the olivine matrix in Allende CV3 seems to preserve a good record of nebular and planetary processes, including: (1) vapor-to-solid condensation under relatively oxidizing nonequilibrium conditions; (2) Fe/Mg equilibration in the meteorite parent body; and (3) recrystallization and incipient melting in the solar nebula.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Michaelides, Angelos, E-mail: angelos.michaelides@ucl.ac.uk; Martinez, Todd J.; Alavi, Ali

This Special Topic section on Advanced Electronic Structure Methods for Solids and Surfaces contains a collection of research papers that showcase recent advances in the high accuracy prediction of materials and surface properties. It provides a timely snapshot of a growing field that is of broad importance to chemistry, physics, and materials science.

Modeling Gas-Particle Partitioning of SOA: Effects of Aerosol Physical State and RH

NASA Astrophysics Data System (ADS)

Zuend, A.; Seinfeld, J.

2011-12-01

Aged tropospheric aerosol particles contain mixtures of inorganic salts, acids, water, and a large variety of organic compounds. In liquid aerosol particles non-ideal mixing of all species determines whether the condensed phase undergoes liquid-liquid phase separation or whether it is stable in a single mixed phase, and whether it contains solid salts in equilibrium with their saturated solution. The extended thermodynamic model AIOMFAC is able to predict such phase states by representing the variety of organic components using functional groups within a group-contribution concept. The number and composition of different condensed phases impacts the diversity of reaction media for multiphase chemistry and the gas-particle partitioning of semivolatile species. Recent studies show that under certain conditions biogenic and other organic-rich particles can be present in a highly viscous, semisolid or amorphous solid physical state, with consequences regarding reaction kinetics and mass transfer limitations. We present results of new gas-particle partitioning computations for aerosol chamber data using a model based on AIOMFAC activity coefficients and state-of-the-art vapor pressure estimation methods. Different environmental conditions in terms of temperature, relative humidity (RH), salt content, amount of precursor VOCs, and physical state of the particles are considered. We show how modifications of absorptive and adsorptive gas-particle mass transfer affects the total aerosol mass in the calculations and how the results of these modeling approaches compare to data of aerosol chamber experiments, such as alpha-pinene oxidation SOA. For a condensed phase in a mixed liquid state containing ammonium sulfate, the model predicts liquid-liquid phase separation up to high RH in case of, on average, moderately hydrophilic organic compounds, such as first generation oxidation products of alpha-pinene. The computations also reveal that treating liquid phases as ideal mixtures substantially overestimates the SOA mass, especially at high relative humidity.

Francis Bitter National Magnet Laboratory annual report, July 1988 through June 1989

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1989-01-01

Contents include: reports on laboratory research programs--magneto-optics and semiconductor physics, magnetism, superconductivity, solid-state nuclear magnetic resonance, condensed-matter chemistry, biomagnetism, magnet technology, instrumentation for high-magnetic-field research, molecular biophysics; reports of visiting scientists--reports of users of the High Magnetic Field Facility, reports of users of the Pulsed Field Facility, reports of users of the SQUID Magnetometer and Moessbauer Facility, reports of users of the High-Field NMR Facility; Appendices--publications and meeting speeches, organization, summary of High-Field Magnet Facility use January 1, 1981 through December 31, 1988; geographic distribution of High-Field Magnet users (excluding laboratory staff); and summary of educational activities.

Magneto-ionic control of interfacial magnetism

NASA Astrophysics Data System (ADS)

Bauer, Uwe; Yao, Lide; Tan, Aik Jun; Agrawal, Parnika; Emori, Satoru; Tuller, Harry L.; van Dijken, Sebastiaan; Beach, Geoffrey S. D.

2015-02-01

In metal/oxide heterostructures, rich chemical, electronic, magnetic and mechanical properties can emerge from interfacial chemistry and structure. The possibility to dynamically control interface characteristics with an electric field paves the way towards voltage control of these properties in solid-state devices. Here, we show that electrical switching of the interfacial oxidation state allows for voltage control of magnetic properties to an extent never before achieved through conventional magneto-electric coupling mechanisms. We directly observe in situ voltage-driven O2- migration in a Co/metal-oxide bilayer, which we use to toggle the interfacial magnetic anisotropy energy by >0.75 erg cm-2 at just 2 V. We exploit the thermally activated nature of ion migration to markedly increase the switching efficiency and to demonstrate reversible patterning of magnetic properties through local activation of ionic migration. These results suggest a path towards voltage-programmable materials based on solid-state switching of interface oxygen chemistry.

Superconducting selenides intercalated with organic molecules: synthesis, crystal structure, electric and magnetic properties, superconducting properties, and phase separation in iron based-chalcogenides and hybrid organic-inorganic superconductors

NASA Astrophysics Data System (ADS)

Krzton-Maziopa, Anna; Pesko, Edyta; Puzniak, Roman

2018-06-01

Layered iron-based superconducting chalcogenides intercalated with molecular species are the subject of intensive studies, especially in the field of solid state chemistry and condensed matter physics, because of their intriguing chemistry and tunable electric and magnetic properties. Considerable progress in the research, revealing superconducting inorganic–organic hybrid materials with transition temperatures to superconducting state, T c, up to 46 K, has been brought in recent years. These novel materials are synthesized by low-temperature intercalation of molecular species, such as solvates of alkali metals and nitrogen-containing donor compounds, into layered FeSe-type structure. Both the chemical nature as well as orientation of organic molecules between the layers of inorganic host, play an important role in structural modifications and may be used for fine tuning of superconducting properties. Furthermore, a variety of donor species compatible with alkali metals, as well as the possibility of doping also in the host structure (either on Fe or Se sites), makes this system quite flexible and gives a vast array of new materials with tunable electric and magnetic properties. In this review, the main aspects of intercalation chemistry are discussed with a particular attention paid to the influence of the unique nature of intercalating species on the crystal structure and physical properties of the hybrid inorganic–organic materials. To get a full picture of these materials, a comprehensive description of the most effective chemical and electrochemical methods, utilized for synthesis of intercalated species, with critical evaluation of their strong and weak points, related to feasibility of synthesis, phase purity, crystal size and morphology of final products, is included as well.

Improving High School Physics Through An Outreach Initiative

NASA Astrophysics Data System (ADS)

Zettili, Nouredine

2006-04-01

We want to discuss our outreach initiative at Jacksonville State University designed to help improve the teaching of physics at a number of high schools in Northeast Alabama. This initiative is part of Project IMPACTSEED (IMproving Physics And Chemistry Teaching in SEcondary Education), a No-Child Left Behind grant funded by the Alabama Commission on Higher Education. This project is motivated by a major pressing local need: A large number of high school physics teachers teach out of field. IMPACTSEED is designed to achieve a double aim: (a) to make physics and chemistry understandable and fun to learn within a hands-on, inquiry-based setting; (b) to overcome the fear-factor for physics and chemistry among students. Through a two-week long summer institute, a series of weekend workshops designed to help bring technology into physics classrooms, onsite support, and a hotline, we have been providing year-round support to the physics/chemistry teachers in this area. IMPACTSEED aims at providing our students with a physics/chemistry education that enjoys a great deal of continuity and consistency from high school to college.

"Solid State" Chemistry in Titan Ice Particles

NASA Image and Video Library

2016-09-20

Scientists from NASA's Cassini mission suggested in a 2016 paper that the appearance of a cloud of dicyanoacetylene (C4N2) ice in Titan's stratosphere may be explained by "solid-state" chemistry taking place inside ice particles. The particles have an inner layer of cyanoacetylene (HC3N) ice coated with an outer layer of hydrogen cyanide (HCN) ice. Left: When a photon of light penetrates the outer shell, it can interact with the HC3N, producing C3N and H. Center: The C3N then reacts with HCN to yield C4N2 and H (shown at right). Another reaction that also yields C4N2 ice and H also is possible, but the researchers think it is less likely. http://photojournal.jpl.nasa.gov/catalog/PIA20715

Chemistry of vaporization of refractory materials

NASA Technical Reports Server (NTRS)

Gilles, P. W.

1975-01-01

A discussion is given of the principles of physical chemistry important in vaporization studies, notably the concepts of equilibrium, phase behavior, thermodynamics, solid solution, and kinetics. The important factors influencing equilibrium vaporization phenomena are discussed and illustrated. A proper course of a vaporization study consisting of 9 stages is proposed. The important experimental techniques of Knudsen effusion, Langmuir vaporization and mass spectrometry are discussed. The principles, the factors, the course of a study and the experimental techniques and procedures are illustrated by recent work on the Ti-O system.

Solid-State Chemistry as a Formation Mechanism for C 4N 2 Ice and Possibly the Haystack (220 cm -1 ice emission feature) in Titan's Stratosphere as Observed by Cassini CIRS

NASA Astrophysics Data System (ADS)

Anderson, Carrie; Samuelson, Robert E.; McLain, Jason L.; Nna Mvondo, Delphine; Romani, Paul; Flasar, F. Michael

2016-10-01

A profusion of organic ices containing hydrocarbons, nitriles, and combinations of their mixtures comprise Titan's complex stratospheric cloud systems, and are typically formed via vapor condensation. These ice particles are then distributed throughout the mid-to-lower stratosphere, with an increased abundance near the winter poles (see Anderson et al., 2016). The cold temperatures and the associated strong circumpolar winds that isolate polar air act in much the same way as on Earth, giving rise to compositional anomalies and stratospheric clouds that provide heterogeneous chemistry sites.Titan's C4N2 ice emission feature at 478 cm-1 and "the Haystack," a strong unidentified stratospheric ice emission feature centered at 220 cm-1, share a common characteristic. Even though both are distinctive ice emission features evident in Cassini Composite InfraRed (CIRS) far-IR spectra, no associated vapor emission features can be found in Titan's atmosphere. Without a vapor phase, solid-state chemistry provides an alternate mechanism beside vapor condensation for producing these observed stratospheric ices.Anderson et al., (2016) postulated that C4N2 ice formed in Titan's stratosphere via the solid-state photochemical reaction HCN + HC3N → C4N2 + H2 can occur within extant HCN-HC3N composite ice particles. Such a reaction, and potentially similar reactions that may produce the Haystack ice, are specific examples of solid-state chemistry in solar system atmospheres. This is in addition to the reaction HCl + ClONO2 → HNO3 + Cl2, which is known to produce HNO3 coatings on terrestrial water ice particles, a byproduct of the catalytic chlorine chemistry that produces ozone holes in Earth's polar stratosphere (see for example, Molina et al., 1987 Soloman, 1999).A combination of radiative transfer modeling of CIRS far-IR spectra, coupled with optical constants derived from thin film transmittance spectra of organic ice mixtures obtained in our Spectroscopy for Planetary ICes Environments (SPICE) laboratory, will be used to: 1) derive the vertical column abundance of C4N2 ice in Titan's early spring polar stratosphere, and 2) narrow the range of possible chemical compositions for the material comprising the Haystack.

ANI-1, A data set of 20 million calculated off-equilibrium conformations for organic molecules

NASA Astrophysics Data System (ADS)

Smith, Justin S.; Isayev, Olexandr; Roitberg, Adrian E.

2017-12-01

One of the grand challenges in modern theoretical chemistry is designing and implementing approximations that expedite ab initio methods without loss of accuracy. Machine learning (ML) methods are emerging as a powerful approach to constructing various forms of transferable atomistic potentials. They have been successfully applied in a variety of applications in chemistry, biology, catalysis, and solid-state physics. However, these models are heavily dependent on the quality and quantity of data used in their fitting. Fitting highly flexible ML potentials, such as neural networks, comes at a cost: a vast amount of reference data is required to properly train these models. We address this need by providing access to a large computational DFT database, which consists of more than 20 M off equilibrium conformations for 57,462 small organic molecules. We believe it will become a new standard benchmark for comparison of current and future methods in the ML potential community.

The life and achievements of Erwin-Félix Lewy-Bertaut (1913-2003)

NASA Astrophysics Data System (ADS)

Férey, Gérard; Hodeau, Jean-Louis

2015-02-01

Erwin-Félix Lewy-Bertaut was initially a lawyer. He left Germany for France when the Nazis rose to power, having been born into a German Jewish family. He became a French citizen in 1936 and embarked upon a scientific career, first in organic chemistry in Bordeaux. The troubles associated with World War II obliged him to move to Grenoble under the protection of Louis Néel. In addition to his creative activity in the new field of inorganic solid state chemistry, he rapidly became a crystallographer and a physicist of magnetism, noted for his impressive activity in both of these domains. He became a pioneer of neutron diffraction and was pivotal to the creation of the Institut Laue-Langevin. Owing to the impact of his work, he was involved in the key international organizations responsible for shaping crystallography and physics. A member of the French Academy of Sciences, Monsieur Bertaut received many international awards. He was a very kind man of culture.

Using Modern Solid-State Analytical Tools for Investigations of an Advanced Carbon Capture Material: Experiments for the Inorganic Chemistry Laboratory

ERIC Educational Resources Information Center

Wriedt, Mario; Sculley, Julian P.; Aulakh, Darpandeep; Zhou, Hong-Cai

2016-01-01

A simple and straightforward synthesis of an ultrastable porous metal-organic framework (MOF) based on copper(II) and a mixed N donor ligand system is described as a laboratory experiment for chemistry undergraduate students. These experiments and the resulting analysis are designed to teach students basic research tools and procedures while…

Rotationally resolved fluorescence spectroscopy of molecular iodine

NASA Astrophysics Data System (ADS)

Lemon, Christopher; Canagaratna, Sebastian; Gray, Jeffrey

2008-03-01

Vibration-electronic spectroscopy of I2 vapor is a common, important experiment in physical chemistry lab courses. We use narrow bandwidth diode-pumped solid state (DPSS) lasers to excite specific rotational levels; these lasers are surprisingly stable and are now available at low cost. We also use efficient miniature fiber-optic spectrometers to resolve rotational fluorescence patterns in a vibrational progression. The resolution enables thorough and accurate analysis of spectroscopic constants for the ground electronic state. The high signal-to-noise ratio, which is easily achieved, also enables students to precisely measure fluorescence band intensities, providing further insight into vibrational wavefunctions and the molecular potential function. We will provide a detailed list of parts for the apparatus as well as modeling algorithms with statistical evaluation to facilitate widespread adoption of these experimental improvements by instructors of intermediate and advanced lab courses.

Solid State Division progress report, September 30, 1981

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1982-04-01

Progress made during the 19 months from March 1, 1980, through September 30, 1981, is reported in the following areas: theoretical solid state physics (surfaces, electronic and magnetic properties, particle-solid interactions, and laser annealing); surface and near-surface properties of solids (plasma materials interactions, ion-solid interactions, pulsed laser annealing, and semiconductor physics and photovoltaic conversion); defects in solids (radiation effects, fracture, and defects and impurities in insulating crystals); transport properties of solids (fast-ion conductors, superconductivity, and physical properties of insulating materials); neutron scattering (small-angle scattering, lattice dynamics, and magnetic properties); crystal growth and characterization (nuclear waste forms, ferroelectric mateirals, high-temperature materials,more » and special materials); and isotope research materials. Publications and papers are listed. (WHK)« less

Transuranic Computational Chemistry.

PubMed

Kaltsoyannis, Nikolas

2018-02-26

Recent developments in the chemistry of the transuranic elements are surveyed, with particular emphasis on computational contributions. Examples are drawn from molecular coordination and organometallic chemistry, and from the study of extended solid systems. The role of the metal valence orbitals in covalent bonding is a particular focus, especially the consequences of the stabilization of the 5f orbitals as the actinide series is traversed. The fledgling chemistry of transuranic elements in the +II oxidation state is highlighted. Throughout, the symbiotic interplay of experimental and computational studies is emphasized; the extraordinary challenges of experimental transuranic chemistry afford computational chemistry a particularly valuable role at the frontier of the periodic table. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Surface chemistry of carbon dioxide revisited

NASA Astrophysics Data System (ADS)

Taifan, William; Boily, Jean-François; Baltrusaitis, Jonas

2016-12-01

This review discusses modern developments in CO2 surface chemistry by focusing on the work published since the original review by H.J. Freund and M.W. Roberts two decades ago (Surface Science Reports 25 (1996) 225-273). It includes relevant fundamentals pertaining to the topics covered in that earlier review, such as conventional metal and metal oxide surfaces and CO2 interactions thereon. While UHV spectroscopy has routinely been applied for CO2 gas-solid interface analysis, the present work goes further by describing surface-CO2 interactions under elevated CO2 pressure on non-oxide surfaces, such as zeolites, sulfides, carbides and nitrides. Furthermore, it describes additional salient in situ techniques relevant to the resolution of the interfacial chemistry of CO2, notably infrared spectroscopy and state-of-the-art theoretical methods, currently used in the resolution of solid and soluble carbonate species in liquid-water vapor, liquid-solid and liquid-liquid interfaces. These techniques are directly relevant to fundamental, natural and technological settings, such as heterogeneous and environmental catalysis and CO2 sequestration.

The Development, Field Testing and Evaluation of Three Hierarchies of Behaviorally Stated Objectives for the Chemistry Content of a Course of Instruction in Physical Science for Pre-Service Nursing Students.

ERIC Educational Resources Information Center

Love, Robert Alden

The purpose of this research was to develop hierarchies of behavioral objectives for the chemistry content of a one-semester course in physical science for preservice associate degree nursing students. Each of three content objectives was expressed by a series of behaviorally stated objectives which included a terminal objective for a unit of…

Standard Entropy of Crystalline Iodine from Vapor Pressure Measurements: A Physical Chemistry Experiment.

ERIC Educational Resources Information Center

Harris, Ronald M.

1978-01-01

Presents material dealing with an application of statistical thermodynamics to the diatomic solid I-2(s). The objective is to enhance the student's appreciation of the power of the statistical formulation of thermodynamics. The Simple Einstein Model is used. (Author/MA)

Disentangled solid state and metastable polymer melt; a solvent free route to high-modulus high-strength tapes and films of UHMWPE

NASA Astrophysics Data System (ADS)

Rastogi, Sanjay

2013-03-01

Ultra High Molecular Weight Polyethylene (UHMWPE) having average molar mass greater than a million g/mol is an engineering polymer. Due to its light-weight, high abrasion resistance and biocompatibility it is used for demanding applications such as body armour, prostheses etc. At present, because of its high melt viscosity to achieve the uniaxial/biaxial properties in the form of fibers/films the polymer is processed via solution route where nearly 95wt% of the solvent is used to process 5wt% of the polymer. In past several attempts have been made to process the polymer without using any solvent. However, compared to the solvent processing route the achieved mechanical properties were rather poor. Here we show that by controlled synthesis it is feasible to obtain UHMWPE that could be processed free of solvent to make uniaxial tapes and biaxial films, having unprecedented mechanical properties, exceeding that of the solution spun fibers. We address some of the fundamental aspects of chemistry, physics, rheology and processing for the development of desired morphological features to achieve the ultimate mechanical properties in tapes and films. The paper will also address the metastable melt state obtained on melting of the disentangled crystals and its implication on rheology in linear and nonlinear viscoelastic region. Solid state NMR studies will be applied to establish disentangled state in solid state to the polymerisation conditions. References: Macromolecules 2011, 44(14), 5558-5568; Nature Materials 2005, 4, 635-641; Phys Rev Lett 2006, 96(21), 218303-218205. The authors acknowledge financial support by the Dutch Polymer Institute.

Solid-to-solid oxidation of a vanadium(IV) to a vanadium(V) compound: chemisty of a sulfur-containing siderophore.

PubMed

Chatterjee, Pabitra B; Crans, Debbie C

2012-09-03

Visible light facilitates a solid-to-solid photochemical aerobic oxidation of a hunter-green microcrystalline oxidovanadium(IV) compound (1) to form a black powder of cis-dioxidovanadium(V) (2) at ambient temperature. The siderophore ligand pyridine-2,6-bis(thiocarboxylic acid), H(2)L, is secreted by a microorganism from the Pseudomonas genus. This irreversible transformation of a metal monooxo to a metal dioxo complex in the solid state in the absence of solvent is unprecedented. It serves as a proof-of-concept reaction for green chemistry occurring in solid matrixes.

Chemistry and Composition of Atmospheric Aerosol Particles

NASA Astrophysics Data System (ADS)

Kolb, Charles E.; Worsnop, Douglas R.

2012-05-01

For more than two decades a cadre of physical chemists has focused on understanding the formation processes, chemical composition, and chemical kinetics of atmospheric aerosol particles and droplets with diameters ranging from a few nanometers to ˜10,000 nm. They have adapted or invented a range of fundamental experimental and theoretical tools to investigate the thermochemistry, mass transport, and chemical kinetics of processes occurring at nanoscale gas-liquid and gas-solid interfaces for a wide range of nonideal, real-world substances. State-of-the-art laboratory methods devised to study molecular spectroscopy, chemical kinetics, and molecular dynamics also have been incorporated into field measurement instruments that are deployed routinely on research aircraft, ships, and mobile laboratories as well as at field sites from megacities to the most remote jungle, desert, and polar locations. These instruments can now provide real-time, size-resolved aerosol particle physical property and chemical composition data anywhere in Earth's troposphere and lower stratosphere.

Photoemission and photoionization time delays and rates

PubMed Central

Gallmann, L.; Jordan, I.; Wörner, H. J.; Castiglioni, L.; Hengsberger, M.; Osterwalder, J.; Arrell, C. A.; Chergui, M.; Liberatore, E.; Rothlisberger, U.; Keller, U.

2017-01-01

Ionization and, in particular, ionization through the interaction with light play an important role in fundamental processes in physics, chemistry, and biology. In recent years, we have seen tremendous advances in our ability to measure the dynamics of photo-induced ionization in various systems in the gas, liquid, or solid phase. In this review, we will define the parameters used for quantifying these dynamics. We give a brief overview of some of the most important ionization processes and how to resolve the associated time delays and rates. With regard to time delays, we ask the question: how long does it take to remove an electron from an atom, molecule, or solid? With regard to rates, we ask the question: how many electrons are emitted in a given unit of time? We present state-of-the-art results on ionization and photoemission time delays and rates. Our review starts with the simplest physical systems: the attosecond dynamics of single-photon and tunnel ionization of atoms in the gas phase. We then extend the discussion to molecular gases and ionization of liquid targets. Finally, we present the measurements of ionization delays in femto- and attosecond photoemission from the solid–vacuum interface. PMID:29308414

International Conference on Vacuum Ultraviolet Radiation Physics, 8th, Lunds Universitet, Sweden, Aug. 4-8, 1986, Proceedings

NASA Technical Reports Server (NTRS)

Nilsson, Per-Olof (Editor); Nordgren, Joseph (Editor)

1987-01-01

The interactions of VUV radiation with solids are explored in reviews and reports of recent theoretical and experimental investigations from the fields of atomic and molecular physics, solid-state physics, and VUV instrumentation. Topics examined include photoabsorption and photoionization, multiphoton processes, plasma physics, VUV lasers, time-resolved spectroscopy, synchrotron radiation centers, solid-state spectroscopy, and dynamical processes involving localized levels. Consideration is given to the fundamental principles of photoemission, spin-polarized photoemission, inverse photoemission, semiconductors, organic materials, and adsorbates.

Publications of LASL research, 1975

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kerr, A.K.

1976-09-01

This bibliography lists unclassified 1975 publications of work done at the Los Alamos Scientific Laboratory and those earlier publications that were received too late for inclusion in earlier compilations. Papers published in 1975 are included regardless of when they were actually written. Declassification of previously classified reports is considered to constitute publication. All classified issuances are omitted. The bibliography includes Los Alamos Scientific Laboratory reports, papers released as non-Los Alamos reports, journal articles, books, chapters of books, conference papers (whether published separately or as part of conference proceedings issued as books or reports), papers published in congressional hearings, theses, andmore » U.S. Patents. Publications by LASL authors which are not records of Laboratory-sponsored work are included when the Library becomes aware of them. The entries are arranged in sections by the following broad subject categories: aerospace studies; analytical technology; astrophysics; atomic and molecular physics, equation of state, opacity; biology and medicine; chemical dynamics and kinetics; chemistry; cryogenics; crystallography; CTR and plasma physics; earth science and engineering; energy (nonnuclear); engineering and equipment; EPR, ESR, NMR studies; explosives and detonations; fission physics; health and safety; hydrodynamics and radiation transport; instruments; lasers; mathematics and computers; medium-energy physics; metallurgy and ceramics technology; neutronics and criticality studies; nuclear physics; nuclear safeguards; physics; reactor technology; solid state science; and miscellaneous (including Project Rover). Author, numerical, and KWIC indexes are included. (RWR)« less

Hans Bethe and Physics in/of the 20th Century

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schweber, Silvan

2012-12-12

I will present some facets of Hans Bethe’s life to illustrate how I have used biography to narrate certain aspects of the history of twentieth century physics. I will focus on post World War II quantum field theory, on the relation between solid state/condensed matter physics and high energy physics, and make some observations regarding certain “top down” views in solid state physics in postmodernity.

Bonds Between Atoms.

ERIC Educational Resources Information Center

Holden, Alan

The field of inquiry into how atoms are bonded together to form molecules and solids crosses the borderlines between physics and chemistry encompassing methods characteristic of both sciences. At one extreme, the inquiry is pursued with care and rigor into the simplest cases; at the other extreme, suggestions derived from the more careful inquiry…

Boundary Conditions for the Paleoenvironment: Chemical and Physical Processes in the Pre-Solar Nebula

NASA Technical Reports Server (NTRS)

Irvine, William M.; Schloerb, F. Peter

1997-01-01

The basic theme of this program is the study of molecular complexity and evolution in interstellar clouds and in primitive solar system objects. Research has included the detection and study of a number of new interstellar molecules and investigation of reaction pathways for astrochemistry from a comparison of theory and observed molecular abundances. The latter includes studies of cold, dark clouds in which ion-molecule chemistry should predominate, searches for the effects of interchange of material between the gas and solid phases in interstellar clouds, unbiased spectral surveys of particular sources, and systematic investigation of the interlinked chemistry and physics of dense interstellar clouds. In addition, the study of comets has allowed a comparison between the chemistry of such minimally thermally processed objects and that of interstellar clouds, shedding light on the evolution of the biogenic elements during the process of solar system formation.

Field-Effect Spectroscopy of Interface States

DTIC Science & Technology

1988-12-31

ed.), Physics and Chemistry of Il-V Compound Semiconductor Interfaces, Plenum, New York, 1985, p. 327. HETEROJUNCTION AND DIELECTRICALLY INSULATED GATE...Electron Devices. voi. ED-29. pp. 1059-1064, 1982. chemistry , and physics from San Diego State Uni- 131 T. H. Mies, W. M. Paulson, and M. S...1982). 40. T. Y. Chang, R. F. Leheny, R. E. Nahory, E. Silberg , A. A. Ballman, E. A. Carid’ and C. J. Harrold, IEEE Electron. Dev. Lett. EDL- 3, 56

Protecting group and switchable pore-discriminating adsorption properties of a hydrophilic-hydrophobic metal-organic framework.

PubMed

Mohideen, M Infas H; Xiao, Bo; Wheatley, Paul S; McKinlay, Alistair C; Li, Yang; Slawin, Alexandra M Z; Aldous, David W; Cessford, Naomi F; Düren, Tina; Zhao, Xuebo; Gill, Rachel; Thomas, K Mark; Griffin, John M; Ashbrook, Sharon E; Morris, Russell E

2011-04-01

Formed by linking metals or metal clusters through organic linkers, metal-organic frameworks are a class of solids with structural and chemical properties that mark them out as candidates for many emerging gas storage, separation, catalysis and biomedical applications. Important features of these materials include their high porosity and their flexibility in response to chemical or physical stimuli. Here, a copper-based metal-organic framework has been prepared in which the starting linker (benzene-1,3,5-tricarboxylic acid) undergoes selective monoesterification during synthesis to produce a solid with two different channel systems, lined by hydrophilic and hydrophobic surfaces, respectively. The material reacts differently to gases or vapours of dissimilar chemistry, some stimulating subtle framework flexibility or showing kinetic adsorption effects. Adsorption can be switched between the two channels by judicious choice of the conditions. The monoesterified linker is recoverable in quantitative yield, demonstrating possible uses of metal-organic frameworks in molecular synthetic chemistry as 'protecting groups' to accomplish selective transformations that are difficult using standard chemistry techniques.

Synthesis and Characterization of a Perovskite Barium Zirconate (BaZrO[subscript 3]): An Experiment for an Advanced Inorganic Chemistry Laboratory

ERIC Educational Resources Information Center

Thananatthanachon, Todsapon

2016-01-01

In this experiment, the students explore the synthesis of a crystalline solid-state material, barium zirconate (BaZrO3) by two different synthetic methods: (a) the wet chemical method using BaCl[subscript 2]·2H[subscript 2]O and ZrOCl[subscript 2]·8H[subscript 2]O as the precursors, and (b) the solid-state reaction from BaCO[subscript 3] and…

Symposium on Molecular Spectroscopy (39th) Held in Columbus, Ohio on 11-15 Jun 84.

DTIC Science & Technology

1984-06-15

measured infrared absorbances to Gaussian and Voigt profiles. This work was supported by the Director, Office of Energy Research, Office of Basic Energy ...molecules) 7l) Liquid state (12 Solid 0 ate (electroriic) 3) Elect ronic theory IS Mat rix spectra 113) Solid state (i nfraredl 14) Energy transfer q) Mi...Y. CHOW CHIU, Department of Chemistry, Howard University, Washington, D.C., 20059. ME9. CALCULATION OF POTENTIAL ENERGY CURVES & FRANCK CONDON FACTORS

Effects of a Cooperative Learning Strategy on Teaching and Learning Phases of Matter and One-Component Phase Diagrams

ERIC Educational Resources Information Center

Doymus, Kemal

2007-01-01

This study aims to determine the effects of cooperative learning (using the jigsaw method) on students' achievement in a general chemistry course. The Chemistry Achievement Test (CAT) and Phase Achievement Test (PAT) were used. The questions on the CAT relate to solids, liquids, gases, bonding, matter, and matter states. This test was given to…

Some Aspects of Rubberlike Elasticity Useful in Teaching Basic Concepts in Physical Chemistry.

ERIC Educational Resources Information Center

Mark, J. E.

2002-01-01

Explains the benefits of including polymer topics in both graduate and undergraduate physical chemistry courses. Provides examples of how to use rubberlike elasticity to demonstrate some of the general and thermodynamic concepts including equations of state, Carnot cycles and mechanochemistry, gel collapse, energy storage and hysteresis, and…

Inquiry-Based Course in Physics and Chemistry for Preservice K-8 Teachers

ERIC Educational Resources Information Center

Loverude, Michael E.; Gonzalez, Barbara L.; Nanes, Roger

2011-01-01

We describe an inquiry-based course in physics and chemistry for preservice K-8 teachers developed at California State University Fullerton. The course is one of three developed primarily to enhance the science content understanding of prospective teachers. The course incorporates a number of innovative instructional strategies and is somewhat…

Advanced Experiments in Nuclear Science, Volume I: Advanced Nuclear Physics and Chemistry Experiments.

ERIC Educational Resources Information Center

Duggan, Jerome L.; And Others

The experiments in this manual represent state-of-the-art techniques which should be within the budgetary constraints of a college physics or chemistry department. There are fourteen experiments divided into five modules. The modules are on X-ray fluorescence, charged particle detection, neutron activation analysis, X-ray attenuation, and…

Synergizing Noncovalent Bonding Interactions in the Self-Assembly of Organic Charge-Transfer Ferroelectrics and Metal-Organic Frameworks

NASA Astrophysics Data System (ADS)

Cao, Dennis

Contemporary supramolecular chemistry---chemistry beyond the molecule---seeks to leverage noncovalent bonding interactions to generate emergent properties and complexity. These aims extend beyond the solution phase and into the solid state, where crystalline organic materials have attracted much attention for their ability to imitate the physical properties of inorganic crystals. This Thesis outlines my efforts to understand the properties of the solid-state materials that are self-assembled with noncovalent bonding motifs which I have helped to realize. In the first five Chapters, I chronicle the development of the lock-arm supramolecular ordering (LASO) paradigm, which is a general molecular design strategy for amplifying the crystallization of charge transfer complexes that revolves around the synergistic action of hydrogen bonding and charge transfer interactions. In an effort to expand upon the LASO paradigm, I identify a two-point halogen-bonding motif which appears to operate orthogonally from the hydrogen bonding and charge transfer interactions. Since some of these single crystalline materials are ferroelectric at room temperature, I discuss the implications of these experimental observations and reconcile them with the centrosymmetric space groups assigned after X-ray crystallographic refinements. I conclude in the final two Chapters by recording my endeavors to control the assembly of metal-organic frameworks (MOFs) with noncovalent bonding interactions between [2]catenane-bearing struts. First of all, I describe the formation of syndiotactic pi-stacked 2D MOF layers before highlighting a two-component MOF that assembles with a magic number ratio of components that is independent of the molar proportions present in the crystallization medium.

Predicting Scientific Understanding of Prospective Elementary Teachers: Role of Gender, Education Level, Courses in Science, and Attitudes Toward Science and Mathematics

NASA Astrophysics Data System (ADS)

Kumar, David D.; Morris, John D.

2005-12-01

A multiple regression analysis of the relationship between prospective teachers' scientific understanding and Gender, Education Level (High School, College), Courses in Science (Biology, Chemistry, Physics, Earth Science, Astronomy, and Agriculture), Attitude Towards Science, and Attitude Towards Mathematics is reported. Undergraduate elementary science students ( N = 176) in an urban doctoral-level university in the United States participated in this study. The results of this study showed Gender, completion of courses in High School Chemistry and Physics, College Chemistry and Physics, and Attitudes Toward Mathematics and Science significantly correlated with scientific understanding. Based on a regression model, Gender, and College Chemistry and Physics experiences added significant predictive accuracy to scientific understanding among prospective elementary teachers compared to the other variables.

Numerical study of the effects of surface topography and chemistry on the wetting transition using the string method.

PubMed

Zhang, Yanan; Ren, Weiqing

2014-12-28

Droplets on a solid surface patterned with microstructures can exhibit the composite Cassie-Baxter (CB) state or the wetted Wenzel state. The stability of the CB state is determined by the energy barrier separating it from the wetted state. In this work, we study the CB to Wenzel transition using the string method [E et al., J. Chem. Phys. 126, 164103 (2007); W. Ren and E. Vanden-Eijnden, J. Chem. Phys. 138, 134105 (2013)]. We compute the transition states and energy barriers for a three-dimensional droplet on patterned surfaces. The liquid-vapor coexistence is modeled using the mean field theory. Numerical results are obtained for surfaces patterned with straight pillars and nails, respectively. It is found that on both type of surfaces, wetting occurs via infiltration of the liquid in a single groove. The reentrant geometry of nails creates large energy barrier for the wetting of the solid surface compared to straight pillars. We also study the effect of surface chemistry, pillar height, and inter-pillar spacing on the energy barrier and compare it with nails.

Numerical study of the effects of surface topography and chemistry on the wetting transition using the string method

NASA Astrophysics Data System (ADS)

Zhang, Yanan; Ren, Weiqing

2014-12-01

Droplets on a solid surface patterned with microstructures can exhibit the composite Cassie-Baxter (CB) state or the wetted Wenzel state. The stability of the CB state is determined by the energy barrier separating it from the wetted state. In this work, we study the CB to Wenzel transition using the string method [E et al., J. Chem. Phys. 126, 164103 (2007); W. Ren and E. Vanden-Eijnden, J. Chem. Phys. 138, 134105 (2013)]. We compute the transition states and energy barriers for a three-dimensional droplet on patterned surfaces. The liquid-vapor coexistence is modeled using the mean field theory. Numerical results are obtained for surfaces patterned with straight pillars and nails, respectively. It is found that on both type of surfaces, wetting occurs via infiltration of the liquid in a single groove. The reentrant geometry of nails creates large energy barrier for the wetting of the solid surface compared to straight pillars. We also study the effect of surface chemistry, pillar height, and inter-pillar spacing on the energy barrier and compare it with nails.

Validation of new superheavy elements and IUPAC-IUPAP joint working group

NASA Astrophysics Data System (ADS)

Jarlskog, Cecilia

2016-12-01

The great chemist Glenn Seaborg has written a delightful little book "Man-made Transuranium Elements", published in 1963, in which he points out that: "The former basic criterion for the discovery of a new element - namely, chemical identification and separation from all previously-known elements - had to be changed in the case of lawrencium (element 103). This also may be true for elements beyond lawrencium." Indeed this is what has happened. The elements with Z ≥ 103 are produced in nuclear reactions and are detected by counters. The detectors have undergone substantial refinement. For example one uses multiwire proportional chambers [for which George Charpak received the 1992 Nobel Prize in Physics] as well as solid state micro-strip detectors. In spite of this remarkable shift from chemistry to physics, the managerial staff of the International Union of Pure and Applied Chemistry (IUPAC) does not seem to be aware of what has been going on. The validation of superheavy elements should be done by physicists as the chemists lack the relevant competence as I will discuss here below. This article is about a collaboration between International Union of Pure and Applied Chemistry (IUPAC) and its sister organization International Union of Pure and Applied Physics (IUPAP), to deal with discovery of superheavy elements beyond Z = 112. I spent a great deal of time on this issue. In my opinion, the collaboration turned out to be a failure. For the sake of science, which should be our most important concern (and not politics), the rules for the future collaborations, if any, should be accurately defined and respected. The validation of new elements should be done by people who have the relevant competence - the physicists.

Opportunities for Computational Discovery in Basic Energy Sciences

NASA Astrophysics Data System (ADS)

Pederson, Mark

2011-03-01

An overview of the broad-ranging support of computational physics and computational science within the Department of Energy Office of Science will be provided. Computation as the third branch of physics is supported by all six offices (Advanced Scientific Computing, Basic Energy, Biological and Environmental, Fusion Energy, High-Energy Physics, and Nuclear Physics). Support focuses on hardware, software and applications. Most opportunities within the fields of~condensed-matter physics, chemical-physics and materials sciences are supported by the Officeof Basic Energy Science (BES) or through partnerships between BES and the Office for Advanced Scientific Computing. Activities include radiation sciences, catalysis, combustion, materials in extreme environments, energy-storage materials, light-harvesting and photovoltaics, solid-state lighting and superconductivity.~ A summary of two recent reports by the computational materials and chemical communities on the role of computation during the next decade will be provided. ~In addition to materials and chemistry challenges specific to energy sciences, issues identified~include a focus on the role of the domain scientist in integrating, expanding and sustaining applications-oriented capabilities on evolving high-performance computing platforms and on the role of computation in accelerating the development of innovative technologies. ~~

Gordon Research Conferences, 1991

DTIC Science & Technology

1993-04-01

Chemistry Title of Conference Brewster Academy. Wolfeboro, NH Richard D. Adams, Chairman Suzanne Harris, Vice Chairman July 29. 1991 Date Monday. 8:45...am Materials and the Solid State Richard D. Adams Discussion Leader Robert Haushalter Hydrothermal Synthesis of Microporous 1. Speaker Molybdenum...Rouxel Design and Chemical Reactivity in 3. Speaker Low Dimensional Solids Title of Presentation Monday 7:30 om Catalysis Richard D. Adams Discussion

A Good Name and Great Riches: Rebranding Solid State Physics for the National Laboratories

NASA Astrophysics Data System (ADS)

Martin, Joseph

2012-03-01

In 1943 Oliver Buckley, lamenting the inadequacy of term ``physics'' to evoke what physicists did, quoted the proverb, ``A good name is rather to be chosen than great riches.'' Some forty years later, solid state physicists confronted similar discontent with their name, precipitating the rise of the appellation ``condensed matter physics.'' Ostensibly a rebranding of a well-established field, the change signaled deeper conceptual and institutional realignment. Whereas ``solid state'' emerged in the 1940s in the service of institutional aims, ``condensed matter'' more accurately captured a distinct set of theoretical and experimental approaches. Reimagining the field around core conceptual approaches set condensed matter apart from the inchoate field of materials science, which subsumed a growing proportion of solid state funding and personnel through the 1980s. Federally funded research installations were the source of ``great riches'' for scientific research. The DOE National Laboratory System and the DARPA network of Interdisciplinary Laboratories, given their responsiveness to shifts in national funding priorities, provide a sensitive historical instrument through which to trace the transition from solid state to condensed matter. The reorganization of solid state in response to the evolution of national priorities and funding practices precipitated a sharpening of the field's intellectual mission. At the same time, it reflected the difficulties solid state faced articulating its intellectual--as opposed to technological--merit. The proverb continues, `` and loving favor rather than silver and gold.'' The adoption of a name that emphasized intellectual cohesion and associated social esteem exposed the growing tension between technology-oriented national funding goals for materials research and condensed matter physics' ascendant intellectual identity.

Solid-State Division progress report for period ending March 31, 1983

DOE Office of Scientific and Technical Information (OSTI.GOV)

Green, P.H.; Watson, D.M.

1983-09-01

Progress and activities are reported on: theoretical solid-state physics (surfaces; electronic, vibrational, and magnetic properties; particle-solid interactions; laser annealing), surface and near-surface properties of solids (surface, plasma-material interactions, ion implantation and ion-beam mixing, pulsed-laser and thermal processing), defects in solids (radiation effects, fracture, impurities and defects, semiconductor physics and photovoltaic conversion), transport properties of solids (fast-ion conductors, superconductivity, mass and charge transport in materials), neutron scattering (small-angle scattering, lattice dynamics, magnetic properties, structure and instrumentation), and preparation and characterization of research materials (growth and preparative methods, nuclear waste forms, special materials). (DLC)

A search for experiments to exploit the space shuttle environment, volume 1

NASA Technical Reports Server (NTRS)

Fenn, J. B.

1979-01-01

A search for worthwhile experiments in pure and applied physics and chemistry which might take advantage of conditions achievable aboard the space shuttle is documented. Of particular interest were the very large pumping speeds at high or ultra high vacuum, the highly nonequilibrium composition of the ambient atmosphere, and the relative absence of gravitational effects. Ideas and suggestions were solicated in the course of visits to 31 research establishments in Western Europe, India, and Japan; conversations with over 90 scientists; and presentations at 3 international meetings. Intriguing possibilities emerged in the following arenas: (1) spectroscopy of the transition state in chemical reactions; (2) flame structure and analysis; (3) solid propellant combustion; (4) analysis of atmospheric composition; (5) turbulence effects on aerosol coagulation.

Redox-controlled potassium intercalation into two polyaromatic hydrocarbon solids

NASA Astrophysics Data System (ADS)

Romero, F. Denis; Pitcher, M. J.; Hiley, C. I.; Whitehead, G. F. S.; Kar, S.; Ganin, A. Y.; Antypov, D.; Collins, C.; Dyer, M. S.; Klupp, G.; Colman, R. H.; Prassides, K.; Rosseinsky, M. J.

2017-07-01

Alkali metal intercalation into polyaromatic hydrocarbons (PAHs) has been studied intensely after reports of superconductivity in a number of potassium- and rubidium-intercalated materials. There are, however, no reported crystal structures to inform our understanding of the chemistry and physics because of the complex reactivity of PAHs with strong reducing agents at high temperature. Here we present the synthesis of crystalline K2Pentacene and K2Picene by a solid-solid insertion protocol that uses potassium hydride as a redox-controlled reducing agent to access the PAH dianions, and so enables the determination of their crystal structures. In both cases, the inserted cations expand the parent herringbone packings by reorienting the molecular anions to create multiple potassium sites within initially dense molecular layers, and thus interact with the PAH anion π systems. The synthetic and crystal chemistry of alkali metal intercalation into PAHs differs from that into fullerenes and graphite, in which the cation sites are pre-defined by the host structure.

Electropolymerized Conducting Polymer as Actuator and Sensor Device

ERIC Educational Resources Information Center

Cortes, Maria T.; Moreno, Juan C.

2005-01-01

A study demonstrates the potential application of conducting polymers to convert electrical energy into mechanical energy at low voltage or current. The performance of the device is explained using electrochemistry and solid-state chemistry.

NMR Crystallography of Enzyme Active Sites: Probing Chemically-Detailed, Three-Dimensional Structure in Tryptophan Synthase

PubMed Central

Dunn, Michael F.

2013-01-01

Conspectus NMR crystallography – the synergistic combination of X-ray diffraction, solid-state NMR spectroscopy, and computational chemistry – offers unprecedented insight into three-dimensional, chemically-detailed structure. From its initial role in refining diffraction data of organic and inorganic solids, NMR crystallography is now being developed for application to active sites in biomolecules, where it reveals chemically-rich detail concerning the interactions between enzyme site residues and the reacting substrate that is not achievable when X-ray, NMR, or computational methodologies are applied in isolation. For example, typical X-ray crystal structures (1.5 to 2.5 Å resolution) of enzyme-bound intermediates identify possible hydrogen-bonding interactions between site residues and substrate, but do not directly identify the protonation state of either. Solid-state NMR can provide chemical shifts for selected atoms of enzyme-substrate complexes, but without a larger structural framework in which to interpret them, only empirical correlations with local chemical structure are possible. Ab initio calculations and molecular mechanics can build models for enzymatic processes, but rely on chemical details that must be specified. Together, however, X-ray diffraction, solid-state NMR spectroscopy, and computational chemistry can provide consistent and testable models for structure and function of enzyme active sites: X-ray crystallography provides a coarse framework upon which models of the active site can be developed using computational chemistry; these models can be distinguished by comparison of their calculated NMR chemical shifts with the results of solid-state NMR spectroscopy experiments. Conceptually, each technique is a puzzle piece offering a generous view of the big picture. Only when correctly pieced together, however, can they reveal the big picture at highest resolution. In this Account, we detail our first steps in the development of NMR crystallography for application to enzyme catalysis. We begin with a brief introduction to NMR crystallography and then define the process that we have employed to probe the active site in the β-subunit of tryptophan synthase with unprecedented atomic-level resolution. This approach has resulted in a novel structural hypothesis for the protonation state of the quinonoid intermediate in tryptophan synthase and its surprising role in directing the next step in the catalysis of L-Trp formation. PMID:23537227

Solid-State Photochemistry as a Formation Mechanism for Titan's Stratospheric C4N2 Ice Clouds

NASA Technical Reports Server (NTRS)

Anderson, C. M.; Samuelson, R. E.; Yung, Y. L.; McLain, J. L.

2016-01-01

We propose that C4N2 ice clouds observed in Titan's springtime polar stratosphere arise due to solid-state photochemistry occurring within extant ice cloud particles of HCN-HC3N mixtures. This formation process resembles the halogen-induced ice particle surface chemistry that leads to condensed nitric acid trihydrate (NAT) particles and ozone depletion in Earth's polar stratosphere. As our analysis of the Cassini Composite Infrared Spectrometer 478 per centimeter ice emission feature demonstrates, this solid-state photochemistry mechanism eliminates the need for the relatively high C4N2 saturation vapor pressures required (even though they are not observed) when the ice is produced through the usual procedure of direct condensation from the vapor.

3D Printed Potential and Free Energy Surfaces for Teaching Fundamental Concepts in Physical Chemistry

ERIC Educational Resources Information Center

Kaliakin, Danil S.; Zaari, Ryan R.; Varganov, Sergey A.

2015-01-01

Teaching fundamental physical chemistry concepts such as the potential energy surface, transition state, and reaction path is a challenging task. The traditionally used oversimplified 2D representation of potential and free energy surfaces makes this task even more difficult and often confuses students. We show how this 2D representation can be…

Chemistry Lectures and Laboratories. A Model to Improve Preservice Elementary Science Teacher Development. Volume III.

ERIC Educational Resources Information Center

Crosby, Glenn; And Others

A group of scientists and science educators of Washington State University has developed and pilot tested an integrated physical science program designed for preservice elementary school teachers. This document includes the syllabus and class materials for the Chemistry block of the physical science courses developed by the group. Included are…

Mathematics in chemistry: indeterminate forms and their meaning

NASA Astrophysics Data System (ADS)

Segurado, Manuel A. P.; Silva, Margarida F. B.; Castro, Rita

2011-07-01

The mathematical language and its tools are complementary to the formalism in chemistry, in particular at an advanced level. It is thus crucial, for its understanding, that students acquire a solid knowledge in Calculus and that they know how to apply it. The frequent occurrence of indeterminate forms in multiple areas, particularly in Physical Chemistry, justifies the need to properly understand the limiting process in such cases. This article emphasizes the importance of the L'Hôpital's rule as a practical tool, although often neglected, to obtain the more common indeterminate limits, through the use of some specific examples as the radioactive decay, spectrophotometric error, Planck's radiation law, second-order kinetics, or consecutive reactions.

Predictive modeling of solidification during laser additive manufacturing of nickel superalloys: recent developments, future directions

NASA Astrophysics Data System (ADS)

Ghosh, Supriyo

2018-01-01

Additive manufacturing (AM) processes produce parts with improved physical, chemical, and mechanical properties compared to conventional manufacturing processes. In AM processes, intricate part geometries are produced from multicomponent alloy powder, in a layer-by-layer fashion with multipass laser melting, solidification, and solid-state phase transformations, in a shorter manufacturing time, with minimal surface finishing, and at a reasonable cost. However, there is an increasing need for post-processing of the manufactured parts via, for example, stress relieving heat treatment and hot isostatic pressing to achieve homogeneous microstructure and properties at all times. Solidification in an AM process controls the size, shape, and distribution of the grains, the growth morphology, the elemental segregation and precipitation, the subsequent solid-state phase changes, and ultimately the material properties. The critical issues in this process are linked with multiphysics (such as fluid flow and diffusion of heat and mass) and multiscale (lengths, times and temperature ranges) challenges that arise due to localized rapid heating and cooling during AM processing. The alloy chemistry-process-microstructure-property-performance correlation in this process will be increasingly better understood through multiscale modeling and simulation.

Direct Aqueous-Phase Synthesis of Sub-10 nm “Luminous Pearls” with Enhanced in Vivo Renewable Near-Infrared Persistent Luminescence

DOE PAGES

Li, Zhanjun; Zhang, Yuanwei; Wu, Xiang; ...

2015-04-02

Near-infrared (NIR) persistent luminescence nanoparticles (PLNPs), possessing unique NIR PL properties, have recently emerged as important materials for a wide variety of applications in chemistry and biology, for which they must endure high-temperature solid-state annealing reactions and subsequent complicated physical post-treatments. Herein, we report on a first direct aqueous-phase chemical synthesis route to NIR PLNPs and present their enhanced in vivo renewable NIR PL. Our method leads to monodisperse PLNPs as small as ca. 8 nm. Such sub-10 nm nanocrystals are readily dispersed and functionalized, and can form stable colloidal solutions in aqueous solution and cell culture medium for biologicalmore » applications. Under biotissue-penetrable red-light excitation, we found that such nanocrystals possess superior renewable PL photoluminescence in vitro and in vivo compared to their larger counterparts currently made by existing methods. In conclusion, we believe that this solid-state-reaction-free chemical approach overcomes the current key roadblock in regard to PLNP development, and thus will pave the way to broad use of these advanced miniature “luminous pearls” in photonics and biophotonics.« less

An Introductory Idea for Teaching Two-Component Phase Diagrams

ERIC Educational Resources Information Center

Peckham, Gavin D.; McNaught, Ian J.

2011-01-01

The teaching of two-component phase diagrams has attracted little attention in this "Journal," and it is hoped that this article will make a useful contribution. Current physical chemistry textbooks describe two-component phase diagrams adequately, but do so in a piecemeal fashion one section at a time; first solid-liquid equilibria, then…

The Coefficient of First Viscosity Via Three-Phonon Processes in Bulk Liquid Helium

DTIC Science & Technology

1988-06-01

of Chemistry and Physics State University of New York at Buffalo Buffalo, New York 14260 June 1988 Reproduction in whole or in part is permitted for...NUBUFFALO/DC/88/TR-71 6.. NAME OF PERFORMING ORGANIZATION I 6b. OFFICE SYMBOL 7a. NAME OF MONITORING ORGANIZATION Depts. Chemistry & Physics j (If... Chemistry Program Buffalo, New York 14260 800 N. Quincy Street _ __ _Arlington, Virginia 22217 Ba. NAME OF FUND:NG/SPONSORING 8b. OFFICE SYMBOL 9

Structure-Property Relationships in Novel Materials Part I: Frustrated Magnetism and Deintercalation of Honeycomb Oxides Part II: Electron-Precise Gold Intermetallics

NASA Astrophysics Data System (ADS)

Seibel, Elizabeth M.

This thesis is a study of the structure-property relationships of novel materials, broken into two major parts. The first part, "Part I: Frustrated Magnetism and Deintercalation of Honeycomb Oxides" explores new, layered nickel oxides and their properties, specifically the synthesis, structure, magnetism, and applications of the Na3Ni 2BiO6-NaNi2BiO6-NaNi2BiO 6•1.7H2O system. These phases are of interest to the solid-state and physics communities because they display frustrated magnetism on a hexagonal lattice. Chapter 3 explores the chemistry and physics of Na 3Ni2BiO6; Chapter 4 then discusses its chemical deintercalation and subsequent hydration to form the NaNi2BiO 6-NaNi2BiO6•1.7H2O system. These phases are examples of sought-after spin-1/2 systems on a hexagonal lattice. The second part of this thesis, "Part II: Electron-Precise Gold Intermetallics" explores novel, electron-precise intermetallics in the Lanthanide-gold-pnictide ternary system. The chemistry of gold-containing solids has not been well-studied despite gold's unusual physics, motivating the study. There are three new families discussed herein. The first, found in Chapter 7, is of the type LnAuSb (Ln = Lanthanide) which are new Dirac semimetals. The work illustrates a chemical design principle that can be used to predict new Dirac Semimetals, which is important given that the field of topological materials is rapidly growing. Chapter 8 discusses materials of the type LnAuBi2, which are layered intermetallics with a high degree of magnetic anisotropy. Finally, Chapter 9 explores new phases of the form Ln 3Au3Bi4. These materials are semiconductors with high Seebeck coefficients at room temperature, indicating their potential for use as thermoelectric materials.

Barochemistry: Predictive Solid State Chemistry

NASA Astrophysics Data System (ADS)

Yoo, Choong-Shik

The application of compression energy comparable to that of chemical bonds, but substantially greater than those of defects and grain boundaries in solids allows us to pursue novel concepts of high-pressure chemistry (or barochemistry) in materials development by design. At such extreme pressures, simple molecular solids covert into densely packed extended network structures that can be predicted from first principles. In recent years, a significant number of new materials and novel extended structures have been designed and discovered in highly compressed states of the first- and second- row elemental solids, including Li, C, H2,N2, O2, CO, CO2, and H2O. These extended solids are extremely hard, have high energy density, and exhibit novel electronic and nonlinear optical properties that are superior to other known materials at ambient conditions. However, these materials are often formed at formidable pressures and are highly metastable at ambient conditions; only a few systems have been recovered, limiting the materials within a realm of fundamental scientific discoveries. Therefore, an exciting new research area has emerged on the barochemistry to understand and, ultimately, control the stability, bonding, structure, and properties of low Z extended solids. In this paper, we will present our recent research to develop hybrid low Z extended solids amenable to scale up synthesis and ambient stabilization, utilizing kinetically controlled processes in dense solid mixtures and discuss the governing fundamental principles of barochemistry. This work was performed in support of the NSF (DMR-1203834), DTRA (HDTRA1-12-01-0020), and DARPA (W31P4Q-12-1-0009).

Phase Relations in Ternary Systems in the Subsolidus Region: Methods to Formulate Solid Solution Equations and to Find Particular Compositions

ERIC Educational Resources Information Center

Alvarez-Montan~o, Victor E.; Farías, Mario H.; Brown, Francisco; Mun~oz-Palma, Iliana C.; Cubillas, Fernando; Castillon-Barraza, Felipe F.

2017-01-01

A good understanding of ternary phase diagrams is required to advance and/or to reproduce experimental research in solid-state and materials chemistry. The aim of this paper is to describe the solutions to problems that appear when studying or determining ternary phase diagrams. A brief description of the principal features shown in phase diagrams…

A/C Interface: The Electronic Toolbox. Part I.

ERIC Educational Resources Information Center

Dessy, Raymond E., Ed.

1985-01-01

Discusses new solid-state transducers, arrays of nonspecific detectors, hardware and firmware computational elements, and other devices that are transforming modern analytical chemistry. Examples in which microelectroic sensors are used to solve 14 problems are included. (JN)

High pressure in solid state chemistry: Combined experimental and modeling approaches for assessing and predicting properties

NASA Astrophysics Data System (ADS)

Etourneau, Jean; Matar, Samir F.

2018-06-01

The thermodynamic pressure parameter has been thoroughly used with mastership by Gérard Demazeau throughout his rich career in solid state chemistry and materials sciences and more recently in biosciences. After a review of such works, focus is made in this topical article on his contribution together with his team in the field of hard materials based on light elements B, C, N with a proposition of a new ultra-hard carbon nitride C2N on one hand and on the structural transformations under high pressures of perovskite into postperovskite with a change of dimensionality from 3D to 2D and related oxides, regarding the arrangement of octahedra, on the other hand. Investigation and concepts first arising from experimental observables are shown to be aided and accelerated via first principles calculations of energy and energy-related quantities.

'All-solid-state' electrochemistry of a protein-confined polymer electrolyte film

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parthasarathy, Meera; Pillai, Vijayamohanan K.; Mulla, Imtiaz S.

2007-12-07

Interfacial redox behavior of a heme protein (hemoglobin) confined in a solid polymer electrolyte membrane, Nafion (a perfluoro sulfonic acid ionomer) is investigated using a unique 'all-solid-state' electrochemical methodology. The supple phase-separated structure of the polymer electrolyte membrane, with hydrophilic pools containing solvated protons and water molecules, is found to preserve the incorporated protein in its active form even in the solid-state, using UV-visible, Fluorescence (of Tryptophan and Tyrosine residues) and DRIFT (diffuse reflectance infrared Fourier transform) spectroscopy. More specifically, solid-state cyclic voltammetry and electrochemical impedance of the protein-incorporated polymer films reveal that the Fe{sup 2+}-form of the entrapped proteinmore » is found to bind molecular oxygen more strongly than the native protein. In the 'all-solid-state' methodology, as there is no need to dip the protein-modified electrode in a liquid electrolyte (like the conventional electrochemical methods), it offers an easier means to study a number of proteins in a variety of polymer matrices (even biomimetic assemblies). In addition, the results of the present investigation could find interesting application in a variety of research disciplines, in addition to its fundamental scientific interest, including protein biotechnology, pharmaceutical and biomimetic chemistry.« less

Combining research in physical chemistry and chemical education: Part A. The femtosecond molecular dynamics of small gas-phase anion clusters. Part B. Surveying student beliefs about chemistry and the development of physical chemistry learning tutorials

NASA Astrophysics Data System (ADS)

Barbera, Jack

2007-12-01

This dissertation combines work in the areas of experimental physical chemistry and chemical education. In the area of physical chemistry, femtosecond pump-probe spectroscopy is used to interrogate the time-dependence for energy redistribution, solvent reorientation, and dissociation dynamics in small gas-phase anion clusters. The chemical education research addressed in this manuscript include the development and validation of a survey to measure students' beliefs about chemistry and the learning of chemistry and the development and testing of learning tutorials for use in undergraduate physical chemistry courses in thermodynamics and kinetics. In the first part of this dissertation, the Cu(CD3OD) dynamics are investigated using a combination of femtosecond pump-probe experiments and ab initio calculations. Dissociation of this complex into Cu and CD3OD occurs on two distinct time scales: 3 and 30 ps, which arise, respectively, from the coupling of intermolecular solvent rotations and excited methyl rotor rotation into the Cu-O dissociation component upon electron photodetachment of the precursor anion. In the second part of this dissertation, the time-resolved recombination of photodissociated IBr-(CO2)n (n = 5 - 10) cluster anions is investigated. Upon excitation to the A' 2pi 1/2 state of the chromophore, the bare anion results in I- and Br products, upon solvation with CO2, the IBr- chromophore regains near-IR absorption after recombination and vibrational relaxation on the ground electronic state. The recombination times vary with the number of solvent molecules from 12 ps for n = 5 to 900 ps for n = 10. Extensive electronic structure and non-adiabatic molecular dynamic simulations provide a framework to understand this behavior. In the third part of this dissertation, the modification and validation of the Colorado Learning Attitudes about Science Survey (CLASS) for use in chemistry is presented in detail. The CLASS survey is designed to measure student beliefs about chemistry and the learning of chemistry. This instrument is a modification of the original CLASS-Phys survey designed for use in physics. Statements on the chemistry version (CLASS-Chem) are validated using chemistry students with a broad range of experience levels to ensure clarity in wording and meaning. The chemistry version addresses additional belief areas important in learning chemistry but not physics, specifically, beliefs about reactions and molecular structure. Statements are grouped into statistically robust categories using reduced basis factor analysis. The final part of this dissertation addresses the development and testing of learning tutorials for use in undergraduate physical chemistry. The tutorials are designed to promote the active mental engagement of students in the process of learning. Questions within the pencil-paper format guide students through the reasoning needed to apply concepts to real-world situations. Each tutorial is connected to a physical model or computer simulation providing students with additional hands-on investigations to strengthen their connection with the concepts addressed in the tutorial. Currently tutorials connected with the First and Second Laws of Thermodynamics as well as Kinetics have been developed and tested.

PREFACE: International Conference on Functional Materials and Nanotechnologies (FM&NT2012)

NASA Astrophysics Data System (ADS)

Sternberg, Andris; Muzikante, Inta; Sarakovskis, Anatolijs; Grinberga, Liga

2012-08-01

The International Conference Functional Materials and Nanotechnologies (FM&NT - 2012) was held in Riga, 17-20 April 2012 at the Institute of Solid State Physics, University of Latvia (ISSP UL). The conference was organised by ISSP UL in co-operation with National Research programme in Materials Science and Information Technologies of Latvia. The purpose of this series of conferences is to bring together scientists, researchers, engineers and students from universities, research institutes and related industrial companies working in the field of advanced material science, energy and materials technologies. The contributions of the participants were grouped according to three main topics of the conference: 1. Multifunctional Materials including advanced inorganic, organic and hybrid materials; ferroics; multiscale and multiphenomenal material modeling and simulation 2. Nanotechnologies including progressive methods, technologies and design for investigation of nanoparticles, nanostructures, nanocomposites, thin films and coatings; 3. Energy including perspective materials and technologies for renewable and hydrogen energy, fuel cells, photovoltaics and developing diverse energy systems. A special section devoted to Organic Materials was organized to commemorate a long-time organizer of the FM&NT conference series, Dr. habil. phys, academician Inta Muzikante who passed away on 15 February 2012. The number of registered participants from 21 countries was nearly 300. During the three days of the conference 2 plenary, 16 invited, 54 oral reports and 184 posters were presented. 64 papers, based on these reports, are included in this volume of IOP Conference Series: Materials Science and Engineering. Additional information about FM&NT-2012 is available at its homepage http://www.fmnt.lu.lv. The Organizing Committee would like to thank all the speakers, contributors, session chairs, referees and other involved staff for their efforts in making the FM&NT-2012 successful. The Organizing Committee sincerely hopes that the Conference gave all the participants new insights into the widespread development of functional materials and nanotechnologies and would enhance the circulation of the information released at the meeting. Inta Muzikante Andris Sternberg Liga Grinberga Anatolijs Sarakovskis Conference photograph The manuscripts are published thanks to the financial support from ERAF project 'Atbalsts starptautiskas sadarbibas projektiem zinatne un tehnologijas LU Cietvielu fizikas instituta' Nr.2010/0204/2DP/2.1.1.2.0./10/APIA/VIAA/010 Sponsors Sponsors flag Sponsors logo International Organizing Committee 1. Andris Sternberg (chairperson), Institute of Solid State Physics, University of Latvia, Latvia 2. Juras Banys, Vilnius University, Lithuania 3. Gunnar Borstel, University of Osnabrück, Germany 4. Niels E Christensen, University of Aarhus, Denmark 5. Robert A Evarestov, St. Petersburg State University, Russia 6. Claes-Goran Granqvist, Uppsala University, Sweden 7. Dag Høvik, The Research Council of Norway, Norway 8. Marco Kirm, Institute of Physics, University of Tartu, Estonia 9. Jiri Kulda, Institut Laue-Langevin, France 10. Witold Lojkowski, Institute of High Pressure Physics, Poland 11. Ergo Nommiste, University of Tartu, Estonia 12. Ingólfur Torbjörnsson, Icelandic Centre for Research, Iceland 13. Marcel H. Van de Voorde, University of Technology Delft, The Netherlands International Program Committee 1. Liga Grinberga (chairperson), Institute of Solid State Physics, University of Latvia, Latvia 2. Eugene Kotomin, Max Planck Institute for Solid State Research, Germany 3. Martins Rutkis, Institute of Solid State Physics, University of Latvia, Latvia 4. Inta Muzikante, Institute of Solid State Physics, University of Latvia, Latvia 5. Liga Berzina-Cimdina, Institute of Biomaterials and Biomechanics, Riga Technical University, Latvia 6. Janis Grabis, Institute of Inorganic Chemistry, Riga Technical University, Latvia 7. Linards Skuja, Institute of Solid State Physics, University of Latvia, Latvia 8. Maris Springis, Institute of Solid State Physics, University of Latvia, Latvia 9. Ilmars Zalite, Institute of Inorganic Chemistry, Riga Technical University, Latvia 10. Janis Zicans, Institute of Polymers, Riga Technical University, Latvia Local Committee Liga Grinberga, Anatolijs Sarakovskis, Jurgis Grube, Maris Kundzins, Anastasija Jozepa, Anna Muratova, Raitis Siatkovskis, Andris Fedotovs, Dmitrijs Bocarovs, Sniedze Abele, Mikus Voss, Andris Sivars, Peteris Lesnicenoks, Virginija Liepina. In Memoriam Dr. habil. phys. Inta Muzikante (08.01.1951-15.02.2012) Inta Muzikante Inta was born in Valmiera, a town in the northern part of Latvia. She attended school in Sigulda and high school in Riga. While at the high-school, Inta decided to study natural sciences. After graduating from high-school in 1969 she entered the physics section of the Physics and Mathematics department of University of Latvia and obtained her university degree in 1974. In parallel with University studies, Inta started to work at the Semiconductor Physics Research Lab at the University of Latvia. After graduating she was offered a position at the Physical Energetics institute of the Latvian Academy of Sciences, in the laboratory of Professor Edgars Silinsh, one of the most internationally well known Latvian physicists. Inta started researching electronic and photoelectric processes in organic crystals and thin films. This was a novel field, pioneered both internationally and in Latvia by Profesors E Silinsh, O Neilands and J Freimanis. It could be said that Inta stood at the cradle of this research field and stayed faithful to it all of her life. Her work was very successful and within a few years she advanced from research assistant to researcher and then leading research scientist. Her first scientific topic was studies of the mechanism of charge carrier photogeneration and separation in organic molecular crystals. In 1983 for a work entitled 'Charge carrier photogeneration and trapping processes in organic molecular crystals' Inta obtained her PhD degree (USSR Candidate of Sciences degree). The major part of Inta Muzikante's research activities was devoted to the investigation of electronic states in organic thin films and multilayers. Studies of electrophysical properties and energy structure of the wide class of organic compounds, such as isolators, semiconductors and conductors have been done. During these studies the complex application of conventional space charge limited current method (SCLC), differential method of SCLC, thermally modulated SCLC and thermally stimulated current was provided for local trapping state investigation. These investigations are of great importance for application in studies of organic light-emitting diodes and organic solar cells. In I Muzikante's work for the first time the existence and asymmetry of trapping states of quadrupolar origin in pentacene thin films was experimentally confirmed. In the last decade Inta Muzikante has broadened her scientific scope. The organic materials with photochromic effect became important part of her research because of their possibility of being employed in optical storage of data and molecular switching devices. Reversible trans/cis photoisomerization of azobenzene and indandione derivatives in self-assembled monolayers, LB multilayers and polymer films were studied. A turning point in Inta's life was the re-establishment of independent Republic of Latvia in 1991: the previously tightly closed international borders opened, and she was free to visit and work in the most important international scientific centers. During this period she stayed and worked at Potsdam University and the Center of Macromolecular Chemistry in Germany, South Bank University, London and Manchester University in UK, Ecole Supérieure de Physique et de Chemie Industrielles, P&M Curie University, and Angers University in France and at the Vilnius University in Lithuania. After the passing away of Professor E Silinsh in 1998, Inta took over the duties of the Head of Laboratory. In spite of the Latvian science going through hard times due to inadequate funding, she managed to preserve the lab's core staff and to further develop its scientific potential, while also continuing active research work herself. In 1998 she obtained the Dr.Habil degree for the work 'Electronic processes and states in organic molecular crystals and Langmuir-Blodgett multistructures'. Inta's research was recognized by awarding her in 1999 the recently established and prestigeous Edgar's Silinsh prize in physics by the Latvian Academy of Sciences. During this and the subsequent period, another of her many talents started to shine through: her particular skill of finding capable young people from the best high-schools in Latvia and motivating them to work in research. Several of these students have now become researchers in her lab. With Inta's demise, four PhD students lost their supervisor. Inta's research and organizational work gained even more momentum after her lab transferred to the Institute of Solid State Physics in 2003. At her new home Inta rapidly acquired the respect and sympathies of her new colleagues. Her duties as the Head of Laboratory and of Leading research scientist were soon supplemented by the tasks of the Institute deputy director for research. In 2006 Inta was elected as the Corresponding Member of the Latvian Academy of Sciences, and subsequently elected to full Academy membership in 2008. She has authored more than 240 research papers. Inta started to give lecture courses to the physics students of the University of Latvia and took up even more duties. She served as a guest editor on international journals, as an expert in European Commission, and as a representative for Latvia on a number of European scientific programs and projects. With the passing away of Inta Muzikante, the Latvian and international science community has lost an excellent scientist and a talented science organizer. However, more important and above all of her excellent professional achievements: all of us who knew her will remember her as a helpful and cordial friend.

Solid surface vs. liquid surface: nanoarchitectonics, molecular machines, and DNA origami.

PubMed

Ariga, Katsuhiko; Mori, Taizo; Nakanishi, Waka; Hill, Jonathan P

2017-09-13

The investigation of molecules and materials at interfaces is critical for the accumulation of new scientific insights and technological advances in the chemical and physical sciences. Immobilization on solid surfaces permits the investigation of different properties of functional molecules or materials with high sensitivity and high spatial resolution. Liquid surfaces also present important media for physicochemical innovation and insight based on their great flexibility and dynamicity, rapid diffusion of molecular components for mixing and rearrangements, as well as drastic spatial variation in the prevailing dielectric environment. Therefore, a comparative discussion of the relative merits of the properties of materials when positioned at solid or liquid surfaces would be informative regarding present-to-future developments of surface-based technologies. In this perspective article, recent research examples of nanoarchitectonics, molecular machines, DNA nanotechnology, and DNA origami are compared with respect to the type of surface used, i.e. solid surfaces vs. liquid surfaces, for future perspectives of interfacial physics and chemistry.

Using an Advanced Computational Laboratory Experiment to Extend and Deepen Physical Chemistry Students' Understanding of Atomic Structure

ERIC Educational Resources Information Center

Hoffman, Gary G.

2015-01-01

A computational laboratory experiment is described, which involves the advanced study of an atomic system. The students use concepts and techniques typically covered in a physical chemistry course but extend those concepts and techniques to more complex situations. The students get a chance to explore the study of atomic states and perform…

Free Radical Addition Polymerization Kinetics without Steady-State Approximations: A Numerical Analysis for the Polymer, Physical, or Advanced Organic Chemistry Course

ERIC Educational Resources Information Center

Iler, H. Darrell; Brown, Amber; Landis, Amanda; Schimke, Greg; Peters, George

2014-01-01

A numerical analysis of the free radical addition polymerization system is described that provides those teaching polymer, physical, or advanced organic chemistry courses the opportunity to introduce students to numerical methods in the context of a simple but mathematically stiff chemical kinetic system. Numerical analysis can lead students to an…

Use of Multiple Representations in Developing Preservice Chemistry Teachers' Understanding of the Structure of Matter

ERIC Educational Resources Information Center

Yakmaci-Guzel, Buket; Adadan, Emine

2013-01-01

The purpose of this study was to examine the changes in 19 preservice chemistry teachers' understandings of the structure of matter, including the aspects of the physical states of matter, the physical composition of matter, and the chemical composition of matter, before, immediately after, and months after they received a specific instruction.…

Computational modeling of chemical reactions and interstitial growth and remodeling involving charged solutes and solid-bound molecules

PubMed Central

Nims, Robert J.; Maas, Steve; Weiss, Jeffrey A.

2014-01-01

Mechanobiological processes are rooted in mechanics and chemistry, and such processes may be modeled in a framework that couples their governing equations starting from fundamental principles. In many biological applications, the reactants and products of chemical reactions may be electrically charged, and these charge effects may produce driving forces and constraints that significantly influence outcomes. In this study, a novel formulation and computational implementation are presented for modeling chemical reactions in biological tissues that involve charged solutes and solid-bound molecules within a deformable porous hydrated solid matrix, coupling mechanics with chemistry while accounting for electric charges. The deposition or removal of solid-bound molecules contributes to the growth and remodeling of the solid matrix; in particular, volumetric growth may be driven by Donnan osmotic swelling, resulting from charged molecular species fixed to the solid matrix. This formulation incorporates the state of strain as a state variable in the production rate of chemical reactions, explicitly tying chemistry with mechanics for the purpose of modeling mechanobiology. To achieve these objectives, this treatment identifies the specific theoretical and computational challenges faced in modeling complex systems of interacting neutral and charged constituents while accommodating any number of simultaneous reactions where reactants and products may be modeled explicitly or implicitly. Several finite element verification problems are shown to agree with closed-form analytical solutions. An illustrative tissue engineering analysis demonstrates tissue growth and swelling resulting from the deposition of chondroitin sulfate, a charged solid-bound molecular species. This implementation is released in the open-source program FEBio (www.febio.org). The availability of this framework may be particularly beneficial to optimizing tissue engineering culture systems by examining the influence of nutrient availability on the evolution of inhomogeneous tissue composition and mechanical properties, the evolution of construct dimensions with growth, the influence of solute and solid matrix electric charge on the transport of cytokines, the influence of binding kinetics on transport, the influence of loading on binding kinetics, and the differential growth response to dynamically loaded versus free-swelling culture conditions. PMID:24558059

Computational modeling of chemical reactions and interstitial growth and remodeling involving charged solutes and solid-bound molecules.

PubMed

Ateshian, Gerard A; Nims, Robert J; Maas, Steve; Weiss, Jeffrey A

2014-10-01

Mechanobiological processes are rooted in mechanics and chemistry, and such processes may be modeled in a framework that couples their governing equations starting from fundamental principles. In many biological applications, the reactants and products of chemical reactions may be electrically charged, and these charge effects may produce driving forces and constraints that significantly influence outcomes. In this study, a novel formulation and computational implementation are presented for modeling chemical reactions in biological tissues that involve charged solutes and solid-bound molecules within a deformable porous hydrated solid matrix, coupling mechanics with chemistry while accounting for electric charges. The deposition or removal of solid-bound molecules contributes to the growth and remodeling of the solid matrix; in particular, volumetric growth may be driven by Donnan osmotic swelling, resulting from charged molecular species fixed to the solid matrix. This formulation incorporates the state of strain as a state variable in the production rate of chemical reactions, explicitly tying chemistry with mechanics for the purpose of modeling mechanobiology. To achieve these objectives, this treatment identifies the specific theoretical and computational challenges faced in modeling complex systems of interacting neutral and charged constituents while accommodating any number of simultaneous reactions where reactants and products may be modeled explicitly or implicitly. Several finite element verification problems are shown to agree with closed-form analytical solutions. An illustrative tissue engineering analysis demonstrates tissue growth and swelling resulting from the deposition of chondroitin sulfate, a charged solid-bound molecular species. This implementation is released in the open-source program FEBio ( www.febio.org ). The availability of this framework may be particularly beneficial to optimizing tissue engineering culture systems by examining the influence of nutrient availability on the evolution of inhomogeneous tissue composition and mechanical properties, the evolution of construct dimensions with growth, the influence of solute and solid matrix electric charge on the transport of cytokines, the influence of binding kinetics on transport, the influence of loading on binding kinetics, and the differential growth response to dynamically loaded versus free-swelling culture conditions.

Quantum-Mechanical Combinatorial Design of Solids having Target Properties

NASA Astrophysics Data System (ADS)

Zunger, Alex

2007-03-01

(1) One of the most striking aspects of solid state physics is the diversity of structural forms in which crystals appear in Nature. Not only are there many distinct crystal-types, but combinations of two or more crystalline materials (alloys) give rise to various local geometric atomic patters. The already rich repertoire of such forms has recently been significantly enhanced by the advent of artificial crystal growth techniques (MBE, STM- atom positioning, etc.) that can create desired structural forms, such as superlattices and impurity clusters even in defiance of the rules of equilibrium thermodynamics. (2) At the same time, the fields of chemistry of nanostructures and physics of structural phase-transitions have long revealed that different atomic configurations generally lead to different physical properties even without altering the chemical makeup. While the most widely - known illustration of such ``form controls function'' rule is the dramatically different color, conductivity and hardness of the allotropical forms of pure carbon (diamond,graphite, C60), the physics of semiconductor superstructures and nanostructures is full of striking examples of how optical, magnetic and transport properties depend sensitively on atomic configuration. (3) Yet, the history of material research has generally occurred via accidental discoveries of material structures having interesting physical property (semiconductivity, ferromagnetism; superconductivity etc.). This begs the question: can this discovery process be inverted, i.e. can we first articulate a desired target physical property, then search (within a class) for the configuration that has this property? (4) The number of potentially interesting atomic configurations exhibits a combinatorial explosion, so even fast synthesis or fast computations can not survey all. (5) This talk describes the recent steps made by solid state theory + computational physics to address this ``Inverse Design'' (Franceschetti & Zunger, Nature, 402, 60 (1999) problem. I will show how Genetic Algorithms, in combination with efficient (``Order N'') solutions to the Pseudopotential Schrodinger equation allow us to investigate astronomical spaces of atomic configurations in search of the structure with a target physical property. Only a small fraction of all (˜ 10**14 in our case) configurations need to be examined. Physical properties are either calculated on-the-fly (if it's easy), or first ``Cluster-Expanded'' (if the theory is difficult). I will illustrate this Inverse Band Structure approach for (a) Design of required band-gaps in semiconductor superlattices; (b) architecture of impurity --clusters with desired optical properties (PRL 97, 046401, 2006) (c) search for configuration of magnetic ions in semiconductors that maximize the ferromagnetic Curie temperature (PRL, 97, 047202, 2006).

Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries

DOE PAGES

Deng, Zhi; Mo, Yifei; Ong, Shyue Ping

2016-03-25

The facile conduction of alkali ions in a crystal host is of crucial importance in rechargeable alkali-ion batteries, the dominant form of energy storage today. In this review, we provide a comprehensive survey of computational approaches to study solid-state alkali diffusion. We demonstrate how these methods have provided useful insights into the design of materials that form the main components of a rechargeable alkali-ion battery, namely the electrodes, superionic conductor solid electrolytes and interfaces. We will also provide a perspective on future challenges and directions. Here, the scope of this review includes the monovalent lithium- and sodium-ion chemistries that aremore » currently of the most commercial interest.« less

Collaborative Discourse and the Modeling of Solution Chemistry with Magnetic 3D Physical Models--Impact and Characterization

ERIC Educational Resources Information Center

Warfa, Abdi-Rizak M.; Roehrig, Gillian H.; Schneider, Jamie L.; Nyachwaya, James

2014-01-01

A significant body of the literature in science education examines students' conceptions of the dissolution of ionic solids in water, often showing that students lack proper understanding of the particulate nature of dissolving materials as well as holding numerous misconceptions about the dissolution process. Consequently, chemical educators have…

Determining the Structure of Oxalate Anion Using Infrared and Raman Spectroscopy Coupled with Gaussian Calculations

ERIC Educational Resources Information Center

Peterson, Karen I.; Pullman, David P.

2016-01-01

A laboratory project for the upper-division physical chemistry laboratory is described, and it combines IR and Raman spectroscopies with Gaussian electronic structure calculations to determine the structure of the oxalate anion in solid alkali oxalates and in aqueous solution. The oxalate anion has two limiting structures whose vibrational spectra…

Using Variable Temperature Powder X-Ray Diffraction to Determine the Thermal Expansion Coefficient of Solid MgO

ERIC Educational Resources Information Center

Corsepius, Nicholas C.; DeVore, Thomas C.; Reisner, Barbara A.; Warnaar, Deborah L.

2007-01-01

A laboratory exercise was developed by using variable temperature powder X-ray diffraction (XRD) to determine [alpha] for MgO (periclase)and was tested in the Applied Physical Chemistry and Materials Characterization Laboratories at James Madison University. The experiment which was originally designed to provide undergraduate students with a…

Tunable Porosities and Shapes of Fullerene-Like Spheres

PubMed Central

Dielmann, Fabian; Fleischmann, Matthias; Heindl, Claudia; Peresypkina, Eugenia V; Virovets, Alexander V; Gschwind, Ruth M; Scheer, Manfred

2015-01-01

The formation of reversible switchable nanostructures monitored by solution and solid-state methods is still a challenge in supramolecular chemistry. By a comprehensive solid state and solution study we demonstrate the potential of the fivefold symmetrical building block of pentaphosphaferrocene in combination with CuI halides to switch between spheres of different porosity and shape. With increasing amount of CuX, the structures of the formed supramolecules change from incomplete to complete spherically shaped fullerene-like assemblies possessing an Ih-C80 topology at one side and to a tetrahedral-structured aggregate at the other. In the solid state, the formed nano-sized aggregates reach an outer diameter of 3.14 and 3.56 nm, respectively. This feature is used to reversibly encapsulate and release guest molecules in solution. PMID:25759976

The Physics of Semiconductors

NASA Astrophysics Data System (ADS)

Brennan, Kevin F.

1999-02-01

Modern fabrication techniques have made it possible to produce semiconductor devices whose dimensions are so small that quantum mechanical effects dominate their behavior. This book describes the key elements of quantum mechanics, statistical mechanics, and solid-state physics that are necessary in understanding these modern semiconductor devices. The author begins with a review of elementary quantum mechanics, and then describes more advanced topics, such as multiple quantum wells. He then disusses equilibrium and nonequilibrium statistical mechanics. Following this introduction, he provides a thorough treatment of solid-state physics, covering electron motion in periodic potentials, electron-phonon interaction, and recombination processes. The final four chapters deal exclusively with real devices, such as semiconductor lasers, photodiodes, flat panel displays, and MOSFETs. The book contains many homework exercises and is suitable as a textbook for electrical engineering, materials science, or physics students taking courses in solid-state device physics. It will also be a valuable reference for practicing engineers in optoelectronics and related areas.

Approaches to Establishing the Chemical Structure of Extraterrestrial Organic Solids

NASA Technical Reports Server (NTRS)

Cody, G. D.; Alexander, C. M. OD.; Wirick, Susan

2003-01-01

The majority of extraterrestrial organic matter in carbonaceous chondrites resides in a chemically complex, insoluble and perhaps macromolecular phase. We have been applying a series of independent solid state NMR experiments that are designed to provide a self consistent chemical characterization of this complex material. To date we have thoroughly analyzed 8 organic residues from different meteorites, including a CR2 (EET92042), CIl(Orgueil), CM2 (Murchison), Tagish Lake, CM2 (AlH83100), CM2 (Cold Bokkefeld), CM2 (Mighei), CM3 (Y86720). In fig 1. (1)H to (13)C cross polarization NMR spectra of four of these are shown. Note that there exists an enormous range in chemistry exhibited in organic solid [evident by the breadth of the spectral features both in the aliphatic region (sp(sup 3)) and the aromatic region (sp(sup 2))]. There is also considerable differences in the carbon chemistry across the meteorite groups.

Nikolay Kirov Nikolov

NASA Astrophysics Data System (ADS)

Petrov, Minko; Reynolds, Steve

2014-12-01

Professor Nikolay Kirov Nikolov graduated in Chemistry from Sofia University 'St. Kliment Ohridski', Bulgaria, in 1968. He received his Ph.D. degree in 1973, D.Sc. in 1988 and was appointed to the position of Professor of Physics in the Institute of Solid State Physics (ISSP), Bulgarian Academy of Sciences (BAS), in 1989. Prof. Kirov rose to become an international authority in the area of molecular spectroscopy, and in particular in the vibrational spectroscopy of thermotropic liquid crystals. Prof. Kirov was a scientist of high reputation both in Bulgaria and globally. His scientific papers, numbering some 150, focus on the physics of liquid crystals. His systematic investigations of the vibrational spectroscopy of a wide class of thermotropic liquid crystals were collected in the monograph Vibrational spectroscopy of liquid crystals (1984), in which the molecular structure and properties of various liquid crystals, vibrational assignments, orientational order parameters and their calculation by molecular dynamics are presented. A range of liquid crystal materials was categorised and reported in his second book Atlas of vibrational spectra of liquid crystals (1988). Both publications remain a valuable source of information for specialists in the field of molecular spectroscopy. The outstanding contributions and growing reputation of Prof. Kirov led to periods as Visiting Scientist in the Universities of Parma, Calabria and Wroclaw. His abilities as a scientific organizer and leader were also notable, and led to a long and distinguished period of service in the Institute of Solid State Physics, being first appointed in 1980 as Scientific Secretary, and subsequently as Head of the Laboratory of Optics and Spectroscopy (1990-1998) and Director of the Institute (1991-1999). He was Chairman of the Scientific Council of ISSP over this period, and a member of the Specialized Scientific Council on Condensed Matter Physics. Prof. Kirov was a member of the High Testimonial Committee of the Republic of Bulgaria during 1996. Nikolay Kirov was a key figure in the organization, promotion and success of the International School on Condensed Matter Physics (ISCMP), where he was able to use his network of international contacts to excellent effect. He served as Scientific Secretary (1988-1990), Chairman and Editor of the ISCMP Proceedings (1992-1998), and as Chairman Emeritus (2002-2012). Prof. Kirov is an Honorary Member of the Institute of Solid State Physics. He received the Honorary Diploma 'Nicola Obreshkov' in 1986 and the "Marin Drinov" Sign of Honour BAS (on a ribbon) in 1998, for achievements in the physical and mathematical sciences. He was also honoured outside his native Bulgaria, receiving a Gold Medal from Wroclaw University, Poland, in recognition of successful scientific collaborations in the area of molecular structure.

Pentavalent Lanthanide Compounds: Formation and Characterization of Praseodymium(V) Oxides.

PubMed

Zhang, Qingnan; Hu, Shu-Xian; Qu, Hui; Su, Jing; Wang, Guanjun; Lu, Jun-Bo; Chen, Mohua; Zhou, Mingfei; Li, Jun

2016-06-06

The chemistry of lanthanides (Ln=La-Lu) is dominated by the low-valent +3 or +2 oxidation state because of the chemical inertness of the valence 4f electrons. The highest known oxidation state of the whole lanthanide series is +4 for Ce, Pr, Nd, Tb, and Dy. We report the formation of the lanthanide oxide species PrO4 and PrO2 (+) complexes in the gas phase and in a solid noble-gas matrix. Combined infrared spectroscopic and advanced quantum chemistry studies show that these species have the unprecedented Pr(V) oxidation state, thus demonstrating that the pentavalent state is viable for lanthanide elements in a suitable coordination environment. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Numerical study of the effects of surface topography and chemistry on the wetting transition using the string method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yanan, E-mail: ynzhang@suda.edu.cn; Ren, Weiqing, E-mail: matrw@nus.edu.sg; Institute of High Performance Computing, Singapore 138632

2014-12-28

Droplets on a solid surface patterned with microstructures can exhibit the composite Cassie-Baxter (CB) state or the wetted Wenzel state. The stability of the CB state is determined by the energy barrier separating it from the wetted state. In this work, we study the CB to Wenzel transition using the string method [E et al., J. Chem. Phys. 126, 164103 (2007); W. Ren and E. Vanden-Eijnden, J. Chem. Phys. 138, 134105 (2013)]. We compute the transition states and energy barriers for a three-dimensional droplet on patterned surfaces. The liquid-vapor coexistence is modeled using the mean field theory. Numerical results aremore » obtained for surfaces patterned with straight pillars and nails, respectively. It is found that on both type of surfaces, wetting occurs via infiltration of the liquid in a single groove. The reentrant geometry of nails creates large energy barrier for the wetting of the solid surface compared to straight pillars. We also study the effect of surface chemistry, pillar height, and inter-pillar spacing on the energy barrier and compare it with nails.« less

Ligand-Sensitized Lanthanide Nanocrystals: Merging Solid-State Photophysics and Molecular Solution Chemistry

DOE PAGES

Agbo, Peter; Abergel, Rebecca J.

2016-06-30

To date, the breadth of scientific research that has been devoted to investigating the photochemical and photophysical behavior of the lanthanide elements has generally fallen into one of two camps: solution studies of luminescent lanthanide metal-ligand complexes or investigations of solid-state nanoparticles, composed primarily of, or doped with, lanthan ide lumiphores. In the latter case, most research of lanthanide nanocolloids has precluded any investigations regarding the use of organic ligands to overcome the difficulties associated with f-f excitation of lanthanides. Instead, most work on condensed-phase lanthanide luminescence has centered on strategies such as d-f charge separation in divalent lanthanides andmore » the sensitization of lanthanide excited states using quantum dots. Current work now aims at bridging the camps of condensed-phase lanthanide photophysics and the solution chemistry of ligand-lanthanide molecular complexes. Some recent efforts have partly focused on the fundamental characterization of NaGd 1-x Ln x F 4 nanoparticles featuring surface display of the sensitizer ligand 3,4,3-LI(1,2-HOPO), showing these structures to be capable of converting absorbed UV light into luminescence from Eu 3+ and Tb 3+ ions. Our results suggest such a use of the ligand sensitization as a tool of choice to overcome the constraints of UV solar spectrum/semiconductor band-gap mismatch and low absorption cross sections in solid-state lanthanide systems.« less

Experiment and Theory for Nuclear Reactions in Nano-Materials Show e14 - e16 Solid-State Fusion Reactions

NASA Astrophysics Data System (ADS)

George, Russ

2005-03-01

Nano-lattices of deuterium loving metals exhibit coherent behavior by populations of deuterons (d's) occupying a Bloch state. Therein, coherent d-overlap occurs wherein the Bloch condition reduces the Coulomb barrier.Overlap of dd pairs provides a high probability fusion will/must occur. SEM photo evidence showing fusion events is now revealed by laboratories that load or flux d into metal nano-domains. Solid-state dd fusion creates an excited ^4He nucleus entangled in the large coherent population of d's.This contrasts with plasma dd fusion in collision space where an isolated excited ^4He nucleus seeks the ground state via fast particle emission. In momentum limited solid state fusion,fast particle emission is effectively forbidden.Photographed nano-explosive events are beyond the scope of chemistry. Corroboration of the nuclear nature derives from photographic observation of similar events on spontaneous fission, e.g. Cf. We present predictive theory, heat production, and helium isotope data showing reproducible e14 to e16 solid-state fusion reactions.

Transport Optical and Magnetic Properties of Solids.

DTIC Science & Technology

Solid state physics, Band theory of solids, Semiconductors, Strontium compounds, Superconductors, Magnetic properties, Chalcogens, Transport properties, Optical properties, Bibliographies, Scientific research, Magnons

Molecular Innovations Toward Theranostics of Aggressive Prostate Cancer

DTIC Science & Technology

2017-11-01

Department of Physics and Astronomy , Texas Christian University, Fort Worth, T xas 76129, United States, ‡Department of Chemistry and Biochemistry, Texas...E. Simanek,*,‡ and Zygmunt Gryczynski*,† †Department of Physics and Astronomy , Texas Christian University, Fort Worth, Texas 76129, United States

A Catalog of Instructional Films for College Chemistry, Serial Publication Number 42.

ERIC Educational Resources Information Center

Schrage, Samuel; And Others

This is a catalog of instructional films for college chemistry, designed for use by chemistry and other science teachers. The films in this catalog are listed in topical arrangement, which consists of (1) preparatory topics, (2) structure, (3) interaction of radiation with matter, (4) physical states, (5) formulas, equations and calculations, (6)…

Analysis of the physical state of one Arctic polar stratospheric cloud based on observations

NASA Technical Reports Server (NTRS)

Drdla, K.; Tabazadeh, A.; Turco, R. P.; Jacobson, M. Z.; Dye, J. E.; Twohy, C.; Baumgardner, D.

1994-01-01

During the Arctic Airborne Stratospheric Expedition (AASE) simultaneous measurements of aerosol size distribution and NO(y)(HN03 + NO + NO2 + 2(N205)) were made along ER-2 flight paths. The flow characteristics of the NO(y) instrument allow us to derive the condensed NO(y) amount (assumed to be HN03) present during polar stratospheric cloud (PSC) events. Analysis of the January 24th flight indicates that this condensed HN03 amount does not agree well with the aerosol volume if the observed PSCs are composed of solid nitric acid trihydrate (NAT), as is generally assumed. However, the composition agrees well with that predicted for liquid H2S04/HN03/H20 solution droplets using a new Aerosol Physical Chemistry Model (APCM). The agreement corresponds in detail to variations in temperature and humidity. The weight percentages of H2SO4, HN03, and H2O derived from the measurements all correspond to those predicted for ternary, liquid solutions.

Structural evolution of a granular medium during simultaneous penetration

NASA Astrophysics Data System (ADS)

González-Gutiérrez, Jorge; Carreón, Yojana J. P.; Moctezuma, R. E.

2018-01-01

Typically, fluidized beds are granular systems composed of solid particles through which a fluid flows. They are relevant to a wide variety of disciplines such as physics, chemistry, engineering, among others. Generally, the fluidized beds are characterized by different flow regimes such as particulate, bubbling, slugging, turbulent, fast fluidization, and pneumatic conveying. Here, we report the experimental study of the structural evolution of a granular system due to simultaneous penetration of intruders in the presence of an upward airflow. We found that the granular medium evolves from the static state to the turbulent regime showing the coexistence of three regions in different flow regimes. Interestingly, the cooperative dynamic of intruders correlate with the formation of such regions. As a non-invasive method, we use lacunarity and fractal dimension to quantitatively describe the patterns arising within the system during the different stages of the penetration process. Finally, we found that our results would allow us to relate the evolution of the visual patterns appearing in the process with different physical properties of the system.

Demonstration Experiments for Solid-State Physics Using a Table-Top Mechanical Stirling Refrigerator

ERIC Educational Resources Information Center

Osorio, M. R.; Morales, A. Palacio; Rodrigo, J. G.; Suderow, H.; Vieira, S.

2012-01-01

Liquid-free cryogenic devices are acquiring importance in basic science and engineering. But they can also lead to improvements in teaching low temperature and solid-state physics to graduate students and specialists. Most of the devices are relatively expensive, but small-sized equipment is slowly becoming available. Here, we have designed…

Lubrication with solids.

NASA Technical Reports Server (NTRS)

Buckley, D. H.; Johnson, R. L.

1972-01-01

Brief discussion of the historical background, variety range, chemistry, physics, and other properties of solid lubricants, and review of their current uses. The widespread use of solid lubricants did not occur until about 1947. At present, they are the object of such interest that a special international conference on their subject was held in 1971. They are used at temperatures beyond the useful range of conventional lubricating oils and greases. Their low volatility provides them with the capability of functioning effectively in vacuum and invites their use in space applications. Their high load carrying ability makes them useful with heavily loaded components. Solid lubricants, however, do lack some of the desirable properties of conventional lubricants. Unlike oils and greases, which have fluidity and can continuously be carried back into contact with lubricated surfaces, solid lubricants, because of their immobility, have finite lives. Also, oils and greases can carry away frictional heat from contacting surfaces, while solid lubricants cannot.

Impact of solid state fermentation on nutritional, physical and flavor properties of wheat bran.

PubMed

Zhao, Hui-Min; Guo, Xiao-Na; Zhu, Ke-Xue

2017-02-15

To improve the nutritional, physical and flavor properties of wheat bran, yeast and lactic acid bacteria (LAB) were used for fermenting wheat bran in solid state. Appearance properties, nutritional properties, microstructure, hydration properties and flavor of raw bran and fermented bran were evaluated. After treatments, water extractable arabinoxylans were 3-4 times higher than in raw bran. Total dietary fiber and soluble dietary fiber increased after solid state fermentation. Over 20% of phytic acid was degraded. Microstructure changes and protein degradation were observed in fermented brans. Water holding capacity and water retention capacity of fermented brans were improved. Results suggest that solid state fermentation is an effective way to improve the properties of wheat brans. Copyright © 2016 Elsevier Ltd. All rights reserved.

Investigation of Polar Stratospheric Cloud Solid Particle Formation Mechanisms Using ILAS and AVHRR Observations in the Arctic

NASA Technical Reports Server (NTRS)

Irie, H.; Pagan, K. L.; Tabazadeh, A.; Legg, M. J.; Sugita, T.

2004-01-01

Satellite observations of denitrification and ice clouds in the Arctic lower stratosphere in February 1997 are used with Lagrangian microphysical box model calculations to evaluate nucleation mechanisms of solid polar stratospheric cloud (PSC) particles. The occurrences of ice clouds are not correlated in time and space with the locations of back trajectories of denitrified air masses, indicating that ice particle surfaces are not always a prerequisite for the formation of solid PSCs that lead to denitrification. In contrast, the model calculations incorporating a pseudoheterogeneous freezing process occurring at the vapor-liquid interface can quantitatively explain most of the observed denitrification when the nucleation activation free energy for nitric acid dihydrate formation is raised by only approx.10% relative to the current published values. Once nucleated, the conversion of nitric acid dihydrate to the stable trihydrate phase brings the computed levels of denitrification closer to the measurements. INDEX TERMS: 0305 Atmospheric Composition and Structure: Aerosols and particles (0345, 4801); 0320 Atmospheric Composition and SblctureC: loud physics and chemistry; 0340 Atmospheric Composition and Structure: Middle atmosphere-composition and chemistry

An extrapolation scheme for solid-state NMR chemical shift calculations

NASA Astrophysics Data System (ADS)

Nakajima, Takahito

2017-06-01

Conventional quantum chemical and solid-state physical approaches include several problems to accurately calculate solid-state nuclear magnetic resonance (NMR) properties. We propose a reliable computational scheme for solid-state NMR chemical shifts using an extrapolation scheme that retains the advantages of these approaches but reduces their disadvantages. Our scheme can satisfactorily yield solid-state NMR magnetic shielding constants. The estimated values have only a small dependence on the low-level density functional theory calculation with the extrapolation scheme. Thus, our approach is efficient because the rough calculation can be performed in the extrapolation scheme.

High pressure and synchrotron radiation studies of solid state electronic instabilities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pifer, J.H.; Croft, M.C.

This report discusses Eu and General Valence Instabilities; Ce Problem: L{sub 3} Spectroscopy Emphasis; Bulk Property Emphasis; Transition Metal Compound Electronic Structure; Electronic Structure-Phonon Coupling Studies; High Temperature Superconductivity and Oxide Materials; and Novel Materials Collaboration with Chemistry.

OVERVIEW OF LEACHING CHEMISTRY AND TESTING RESEARCH IN ORD/EPA

EPA Science Inventory

Various anthropogenic activities generate hazardous solid wastes that are affluent in heavy metals and organics, which can cause significant damage to the environment and human health. Heavy metals can exist in multiple oxidation states, and can undergo oxidation or reduction whe...

New solid-state chemistry technologies to bring better drugs to market: knowledge-based decision making.

PubMed

Park, Aeri; Chyall, Leonard J; Dunlap, Jeanette; Schertz, Christine; Jonaitis, David; Stahly, Barbara C; Bates, Simon; Shipplett, Rex; Childs, Scott

2007-01-01

Modern drug development demands constant deployment of more effective technologies to mitigate the high cost of bringing new drugs to market. In addition to cost savings, new technologies can improve all aspects of pharmaceutical development. New technologies developed at SSCI, Inc. include solid form development of an active pharmaceutical ingredients. (APIs) are PatternMatch software and capillary-based crystallisation techniques that not only allow for fast and effective solid form screening, but also extract maximum property information from the routine screening data that is generally available. These new technologies offer knowledge-based decision making during solid form development of APIs and result in more developable API solid forms.

Old Wine in New Bottles: Quantum Theory in Historical Perspective.

ERIC Educational Resources Information Center

Bent, Henry A.

1984-01-01

Discusses similarities between chemistry and three central concepts of quantum physics: (1) stationary states; (2) wave functions; and (3) complementarity. Based on these and other similarities, it is indicated that quantum physics is a chemical physics. (JN)

Hot atoms in cosmic chemistry.

PubMed

Rossler, K; Jung, H J; Nebeling, B

1984-01-01

High energy chemical reactions and atom molecule interactions might be important for cosmic chemistry with respect to the accelerated species in solar wind, cosmic rays, colliding gas and dust clouds and secondary knock-on particles in solids. "Hot" atoms with energies ranging from a few eV to some MeV can be generated via nuclear reactions and consequent recoil processes. The chemical fate of the radioactive atoms can be followed by radiochemical methods (radio GC or HPLC). Hot atom chemistry may serve for laboratory simulation of the reactions of energetic species with gaseous or solid interstellar matter. Due to the effective measurement of 10(8)-10(10) atoms only it covers a low to medium dose regime and may add to the studies of ion implantation which due to the optical methods applied are necessarily in the high dose regime. Experimental results are given for the systems: C/H2O (gas), C/H2O (solid, 77 K), N/CH4 (solid, 77K) and C/NH3 (solid, 77 K). Nuclear reactions used for the generation of 2 to 3 MeV atoms are: N(p,alpha) 11C, 16O(p,alpha pn) 11C and 12C(d,n) 13N with 8 to 45 MeV protons or deuterons from a cyclotron. Typical reactions products are: CO, CO2, CH4, CH2O, CH3OH, HCOOH, NH3, CH3NH2, cyanamide, formamidine, guanidine etc. Products of hot reactions in solids are more complex than in corresponding gaseous systems, which underlines the importance of solid state reactions for the build-up of precursors for biomolecules in space. As one of the major mechanisms for product formation, the simultaneous or fast consecutive reactions of a hot carbon with two target molecules (reaction complex) is discussed.

Examining the Use of Adaptive Technologies to Increase the Hands-On Participation of Students with Blindness or Low Vision in Secondary-School Chemistry and Physics

ERIC Educational Resources Information Center

Supalo, Cary A.; Humphrey, Jennifer R.; Mallouk, Thomas E.; Wohlers, H. David; Carlsen, William S.

2016-01-01

To determine whether a suite of audible adaptive technologies would increase the hands-on participation of high school students with blindness or low vision in chemistry and physics courses, data were examined from a multi-year field study conducted with students in mainstream classrooms at secondary schools across the United States. The students…

Disappearing Polymorphs Revisited

PubMed Central

Bučar, Dejan-Krešimir; Lancaster, Robert W; Bernstein, Joel

2015-01-01

Nearly twenty years ago, Dunitz and Bernstein described a selection of intriguing cases of polymorphs that disappear. The inability to obtain a crystal form that has previously been prepared is indeed a frustrating and potentially serious problem for solid-state scientists. This Review discusses recent occurrences and examples of disappearing polymorphs (as well as the emergence of elusive crystal forms) to demonstrate the enduring relevance of this troublesome, but always captivating, phenomenon in solid-state research. A number of these instances have been central issues in patent litigations. This Review, therefore, also highlights the complex relationship between crystal chemistry and the law. PMID:26031248

Coherence of Physics and Chemistry Curricula in Terms of the Electron Concept

NASA Astrophysics Data System (ADS)

Elena, Ivanova

2016-08-01

One of the major contradictions in subject teaching is the contradiction between the unity of the world and the discrete separated generalized content of natural sciences that study natural phenomena. These are physics, chemistry, biology and more. One can eliminate the conflict if opens the content's interdisciplinary links set by the events that are studied by different disciplines. The corresponding contexts of the phenomenon content arise depending on the discipline, and they are not enough coordinated. Obviously, we need a mechanism that allows establishing interdisciplinary links in the content quickly and without losing the logic of the material and assess their coherence in academic disciplines. This article uses a quantitative method of coherence assessment elaborated by T.N. Gnitetskaya. The definition of the concept of the semantic state introduced by the authors is given in this article. The method is applied to coherence assessment of physics and chemistry textbooks. The coherence of two pairs of chemistry and physics textbooks by different authors in different combinations was calculated. The most cohered pairs of textbooks (chemistry-physics) were identified. One can recommend using the pair of textbooks for eighth grade that we offered that favors the development of holistic understandings of the world around us.

Impact of surface chemistry

PubMed Central

Somorjai, Gabor A.; Li, Yimin

2011-01-01

The applications of molecular surface chemistry in heterogeneous catalyst technology, semiconductor-based technology, medical technology, anticorrosion and lubricant technology, and nanotechnology are highlighted in this perspective. The evolution of surface chemistry at the molecular level is reviewed, and the key roles of surface instrumentation developments for in situ studies of the gas–solid, liquid–solid, and solid–solid interfaces under reaction conditions are emphasized. PMID:20880833

Time-dependent interstellar chemistry

NASA Technical Reports Server (NTRS)

Glassgold, A. E.

1985-01-01

Some current problems in interstellar chemistry are considered in the context of time-dependent calculations. The limitations of steady-state models of interstellar gas-phase chemistry are discussed, and attempts to chemically date interstellar clouds are reviewed. The importance of studying the physical and chemical properties of interstellar dust is emphasized. Finally, the results of a series of studies of collapsing clouds are described.

US Air Force 1989 Research Initiation Program. Volume 4.

DTIC Science & Technology

1992-06-25

Kentucky University Specialty: Mechanical Engineering Svecialty: Analytical Chemistry 760-7MG-079 and 210-IOMG-095 Dr. Thomas Lalk Texas A&M University...Base) Dr. Peter Armendarez Mr. William Newbold (GSRP) Brescia College University of Florida Secialty: Physical Chemistry Specialty: Aerospace...Research Dr. Roger Bunting Dr. Steven Trogdon Illinois State University University of Minnesota-Duluth Specialty: Inorganic Chemistry Specialty

Computational Nanotechnology Molecular Electronics, Materials and Machines

NASA Technical Reports Server (NTRS)

Srivastava, Deepak; Biegel, Bryan A. (Technical Monitor)

2002-01-01

This presentation covers research being performed on computational nanotechnology, carbon nanotubes and fullerenes at the NASA Ames Research Center. Topics cover include: nanomechanics of nanomaterials, nanotubes and composite materials, molecular electronics with nanotube junctions, kinky chemistry, and nanotechnology for solid-state quantum computers using fullerenes.

THE SOLUBILITY AND SURFACE CHEMISTRY OF FRESHLY PRECIPITATED COPPER SOLIDS

EPA Science Inventory

Since the implementation of the United States Environmental Protection Agency’s Lead and Copper Rule (LCR) in 1991, a great deal of research has been conducted on copper corrosion and the leaching of copper from materials in drinking water distribution systems. While important...

Solid state protein monolayers: Morphological, conformational, and functional properties

NASA Astrophysics Data System (ADS)

Pompa, P. P.; Biasco, A.; Frascerra, V.; Calabi, F.; Cingolani, R.; Rinaldi, R.; Verbeet, M. Ph.; de Waal, E.; Canters, G. W.

2004-12-01

We have studied the morphological, conformational, and electron-transfer (ET) function of the metalloprotein azurin in the solid state, by a combination of physical investigation methods, namely atomic force microscopy, intrinsic fluorescence spectroscopy, and scanning tunneling microscopy. We demonstrate that a "solid state protein film" maintains its nativelike conformation and ET function, even after removal of the aqueous solvent.

Solid State Division progress report for period ending September 30, 1984

DOE Office of Scientific and Technical Information (OSTI.GOV)

Green, P.H.; Watson, D.M.

1985-03-01

During the reporting period, relatively minor changes have occurred in the research areas of interest to the Division. Nearly all the research of the Division can be classified broadly as mission-oriented basic research. Topics covered include: theoretical solid state physics; surface and near-surface properties of solids; defects in solids; transport properties of solids; neutron scattering; and preparation and characterization of research materials. (GHT)

Copolymer Synthesis and Characterization by Post-Polymerization Modification

NASA Astrophysics Data System (ADS)

Galvin, Casey James

This PhD thesis examines the physical behavior of surface-grafted polymer assemblies (SGPAs) derived from post-polymerization modification (PPM) reactions in aqueous and vapor enriched environments, and offers an alternative method of creating SGPAs using a PPM approach. SGPAs comprise typically polymer chains grafted covalently to solid substrates. These assemblies show promise in a number of applications and technologies due to the stability imparted by the covalent graft and ability to modify interfacial properties and stability. SGPAs also offer a set of rich physics to explore in fundamental investigations as a result of confining macromolecules to a solid substrate. PPM reactions (also called polymer analogous reactions) apply small molecule organic chemistry reactions to the repeat units of polymer chains in order to generate new chemistries. By applying a PPM strategy to SGPAs, a wide variety of functional groups can be introduced into a small number of well-studied and well-behaved model polymer systems. This approach offers the advantage of holding constant other properties of the SGPA (e.g., molecular weight, MW, and grafting density, sigma) to isolate the effect of chemistry on physical behavior. Using a combination of PPM and fabrication methods that facilitate the formation of SPGAs with position-dependent gradual variation of sigma on flat impenetrable substrate, the influence of polymer chemistry and sigma is examined on the stability of weak polyelectrolyte brushes in aqueous environments at different pH levels. Degrafting of polymer chains in SGPAs exhibits a complex dependence on side chain chemistry, sigma, pH and the charge fraction (alpha) within the brush. Results of these experiments support a proposed mechanism of degrafting, wherein extension of the grafted chains away from the substrate generates tension along the polymer backbone, which activates the grafting chemistry for hydrolysis. The implications of these findings are important in developing technologies that use SGPAs in aqueous environments, and point to a need for potential alternative grafting chemistries. The behavior of SGPAs in vapor environments remains an underexplored phenomenon. By changing systematically the chemistry of SGPAs derived from a parent sample, the influence of side chain functional groups on the swelling of weak and strong polyelectrolyte brushes in the presence of water, methanol and ethanol vapors is explored. The extent of swelling and solvent uptake depends strongly on the chemistry in the polymer side chain and of the solvent. Despite bearing a permanent electrostatic charge in the side chain, the strong polyelectrolyte brushes exhibit no behavior typical of polyelectrolytes in water due to no dissociation of the counterion. Of particular interest is the behavior in humid environments of an SGPA bearing a zwitterionic group in its side chain, which results in exposure of electrostatic charges without counterions. Using substrates bearing the aforementioned sigma gradient of polymeric grafts, evidence of inter- and intramolecular complex formation is presented. Finally, a method of developing SGPAs by polymerizing bulk polymer chains through surface-grafted monomers (SGMs) is described. The SGMs are incorporated onto a solid substrate using the same PPM reaction employed in the degrafting and vapor swelling experiments, highlighting the versatility of PPM. The thickness of these SGPAs is correlated to the bulk polymer chains MW, suggesting this technique can be used in existing industrial bulk polymerization processes.

PREFACE: First International Meeting on Applied Physics (APHYS-2003)

NASA Astrophysics Data System (ADS)

Méndez-Vilas, A.; Chacón, R.

2005-01-01

This special issue of Physica Scripta contains papers presented at the 1st International Meeting on Applied Physics (APHYS-2003), held in Badajoz (Spain), from 13th to 18th October 2003, and more specifically, selected papers presented during the conference sessions mainly on Applied Optics, Laser Physics, Ultrafast Phenomena, Optical Materials, Semiconductor Materials and Devices, Optoelectronics, Quantum Electronics and Applied Solid State Physics-Chemistry. APHYS-2003 was born as an attempt to create a new international forum on Applied Physics in Europe. Since Applied Physics is not really a branch of Physics, but the application of all the branches of Physics to the broad realms of practical problems in Science, Engineering and Industry, this conference was a truly multi and inter-disciplinary event. The organizers called for papers relating Physics with other sciences such as Biology, Chemistry, Information Science, Medicine, etc, or relating different Physics areas, and aimed at solving practical problems. In other words, the Conference was specifically interested in reports applying the techniques, the training, and the culture of Physics to research areas usually associated with other scientific and engineering disciplines. It was extremely rewarding that over 800 researchers, from over 65 countries, attended the conference, where more than 1000 research papers were presented. We feel really proud of this excellent response obtained (in number and quality), for this first edition of the conference. We are very grateful to all the members of the Organizing Committee, for the hard work done for the preparation of the Conference (which began one year before the conference start), and to the members of the International Advisory Committee, for the valuable contribution to the evaluation of submitted works. Also thank to the referees for the excellent work done in the revision of submitted papers. Finally, we would like to thank the Department of Physics of the University of Extremadura, for their support, and the Regional Government (Junta de Extremadura/Consejería de Educación, Ciencia y Tecnología), as well as INNOVA Instrumentación, for sponsoring the Conference.

Multistep synthesis on SU-8: combining microfabrication and solid-phase chemistry on a single material.

PubMed

Cavalli, Gabriel; Banu, Shahanara; Ranasinghe, Rohan T; Broder, Graham R; Martins, Hugo F P; Neylon, Cameron; Morgan, Hywel; Bradley, Mark; Roach, Peter L

2007-01-01

SU-8 is an epoxy-novolac resin and a well-established negative photoresist for microfabrication and microengineering. The photopolymerized resist is an extremely highly crosslinked polymer showing outstanding chemical and physical robustness with residual surface epoxy groups amenable for chemical functionalization. In this paper we describe, for the first time, the preparation and surface modification of SU-8 particles shaped as microbars, the attachment of appropriate linkers, and the successful application of these particles to multistep solid-phase synthesis leading to oligonucleotides and peptides attached in an unambiguous manner to the support surface.

Majorana modes in solid state systems and its dynamics

NASA Astrophysics Data System (ADS)

Zhang, Qi; Wu, Biao

2018-04-01

We review the properties of Majorana fermions in particle physics and point out that Majorana modes in solid state systems are significantly different. The key reason is the concept of anti-particle in solid state systems is different from its counterpart in particle physics. We define Majorana modes as the eigenstates of Majorana operators and find that they can exist both at edges and in the bulk. According to our definition, only one single Majorana mode can exist in a system no matter at edges or in the bulk. Kitaev's spinless p-wave superconductor is used to illustrate our results and the dynamical behavior of the Majorana modes.

Crystallisation and crystal forms of carbohydrate derivatives

NASA Astrophysics Data System (ADS)

Lennon, Lorna

This thesis is focused on the synthesis and solid state analysis of carbohydrate derivatives, including many novel compounds. Although the synthetic chemistry surrounding carbohydrates is well established in the literature, the crystal chemistry of carbohydrates is less well studied. Therefore this research aims to improve understanding of the solid state properties of carbohydrate derivatives through gaining more information on their supramolecular bonding. Chapter One focuses on an introduction to the solid state of organic compounds, with a background to crystallisation, including issues that can arise during crystal growth. Chapter Two is based on glucopyranuronate derivatives which are understudied in terms of their solid state forms. This chapter reports on the formation of novel glucuronamides and utilising the functionality of the amide bond for crystallisation. TEMPO oxidation was completed to form glucopyranuronates by oxidation of the primary alcohol groups of glucosides to the carboxylic acid derivatives, to increase functionality for enhanced crystal growth. Chapter Three reports on the synthesis of glucopyranoside derivatives by O-glycosylation reactions and displays crystal structures, including a number of previously unsolved acetate protected and deprotected crystal structures. More complex glycoside derivatives were also researched in an aim to study the resultant supramolecular motifs. Chapter Four contains the synthesis of aryl cellobioside derivatives including the novel crystal structures that were solved for the acetate protected and deprotected compounds. Research was carried out to determine if 1-deoxycellodextrins could act as putative isostructures for cellulose. Our research displays the presence of isostructural references with 1-deoxycellotriose shown to be similar to cellulose III11, 1-deoxycellotetraose correlates with cellulose IV11 and 1-deoxycellopentose shows isostructurality similar to that of cellulose II. Chapter Five contains the full experimental details and spectral characterisation of all novel compounds synthesised in this project and relevant crystallographic information.

Alloying effects on superionic conductivity in lithium indium halides for all-solid-state batteries

NASA Astrophysics Data System (ADS)

Zevgolis, Alysia; Wood, Brandon C.; Mehmedović, Zerina; Hall, Alex T.; Alves, Thomaz C.; Adelstein, Nicole

2018-04-01

Alloying of anions is a promising engineering strategy for tuning ionic conductivity in halide-based inorganic solid electrolytes. We explain the alloying effects in Li3InBr6-xClx, in terms of strain, chemistry, and microstructure, using first-principles molecular dynamics simulations and electronic structure analysis. We find that strain and bond chemistry can be tuned through alloying and affect the activation energy and maximum diffusivity coefficient. The similar conductivities of the x = 3 and x = 6 compositions can be understood by assuming that the alloy separates into Br-rich and Cl-rich regions. Phase-separation increases diffusivity at the interface and in the expanded Cl-region, suggesting microstructure effects are critical. Similarities with other halide superionic conductors are highlighted.

FWP executive summaries, Basic Energy Sciences Materials Sciences Programs (SNL/NM)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Samara, G.A.

1997-05-01

The BES Materials Sciences Program has the central theme of Scientifically Tailored Materials. The major objective of this program is to combine Sandia`s expertise and capabilities in the areas of solid state sciences, advanced atomic-level diagnostics and materials synthesis and processing science to produce new classes of tailored materials as well as to enhance the properties of existing materials for US energy applications and for critical defense needs. Current core research in this program includes the physics and chemistry of ceramics synthesis and processing, the use of energetic particles for the synthesis and study of materials, tailored surfaces and interfacesmore » for materials applications, chemical vapor deposition sciences, artificially-structured semiconductor materials science, advanced growth techniques for improved semiconductor structures, transport in unconventional solids, atomic-level science of interfacial adhesion, high-temperature superconductors, and the synthesis and processing of nano-size clusters for energy applications. In addition, the program includes the following three smaller efforts initiated in the past two years: (1) Wetting and Flow of Liquid Metals and Amorphous Ceramics at Solid Interfaces, (2) Field-Structured Anisotropic Composites, and (3) Composition-Modulated Semiconductor Structures for Photovoltaic and Optical Technologies. The latter is a joint effort with the National Renewable Energy Laboratory. Separate summaries are given of individual research areas.« less

Interplay between discharge physics, gas phase chemistry and surface processes in hydrocarbon plasmas

NASA Astrophysics Data System (ADS)

Hassouni, Khaled

2013-09-01

In this paper we present two examples that illustrate two different contexts of the interplay between plasma-surface interaction process and discharge physics and gas phase chemistry in hydrocarbon discharges. In the first example we address the case of diamond deposition processes and illustrate how a detailed investigation of the discharge physics, collisional processes and transport phenomena in the plasma phase make possible to accurately predict the key local-parameters, i.e., species density at the growing substrate, as function of the macroscopic process parameters, thus allowing for a precise control of diamond deposition process. In the second example, we illustrate how the interaction between a rare gas pristine discharge and carbon (graphite) electrode induce a dramatic change on the discharge nature, i.e., composition, ionization kinetics, charge equilibrium, etc., through molecular growth and clustering processes, solid particle formation and dusty plasma generation. Work done in collaboration with Alix Gicquel, Francois Silva, Armelle Michau, Guillaume Lombardi, Xavier Bonnin, Xavier Duten, CNRS, Universite Paris 13.

On Critical States, Rupture States and Interlocking Strength of Granular Materials.

PubMed

Szalwinski, Chris M

2017-07-27

The Mohr-Coulomb theory of strength identifies cohesion and internal friction as the two principal contributions to the shear strength of a granular material. The contribution of cohesion in over-compacted granular materials has been challenged and replacing cohesion with interlocking has been proposed. A theory of rupture strength that includes interlocking is derived herein. The physics-chemistry concept of critical state is elaborated to accommodate granular materials, based on empirical definitions established in the fields of soil mechanics and bulk solids' flow. A surface in state space, called the critical compaction surface, separates over-compacted states from lightly compacted states. The intersection of this surface with the Mohr-Coulomb envelope forms the critical state surface for a granular material. The rupture strength of an over-compacted granular material is expressed as the sum of cohesion, internal friction and interlocking strength. Interlocking strength is the shear strength contribution due to over-compaction and vanishes at critical state. The theory allows migrations from one critical state to another. Changes in specific volume during such migrations are related to changes in mean-normal effective stress and uncoupled from changes in shearing strain. The theory is reviewed with respect to two established research programs and underlying assumptions are identified.

Synthesis of nano-scale fast ion conducting cubic Li7La3Zr2O12.

PubMed

Sakamoto, Jeff; Rangasamy, Ezhiylmurugan; Kim, Hyunjoung; Kim, Yunsung; Wolfenstine, Jeff

2013-10-25

A solution-based process was investigated for synthesizing cubic Li7La3Zr2O12 (LLZO), which is known to exhibit the unprecedented combination of fast ionic conductivity, and stability in air and against Li. Sol-gel chemistry was developed to prepare solid metal-oxide networks consisting of 10 nm cross-links that formed the cubic LLZO phase at 600 ° C. Sol-gel LLZO powders were sintered into 96% dense pellets using an induction hot press that applied pressure while heating. After sintering, the average LLZO grain size was 260 nm, which is 13 times smaller compared to LLZO prepared using a solid-state technique. The total ionic conductivity was 0.4 mS cm(-1) at 298 K, which is the same as solid-state synthesized LLZO. Interestingly, despite the same room temperature conductivity, the sol-gel LLZO total activation energy is 0.41 eV, which 1.6 times higher than that observed in solid-state LLZO (0.26 eV). We believe the nano-scale grain boundaries give rise to unique transport phenomena that are more sensitive to temperature when compared to the conventional solid-state LLZO.

THE SOLUBILITY AND SURFACE CHEMISTRY OF FRESHLY PRECIPITATED COPPER SOLIDS

EPA Science Inventory

Since the implementation of the United States Environmental Protection Agency’s Lead and Copper Rule (LCR) in 1991, a great deal of research has been conducted on copper corrosion and the leaching of copper from materials in drinking water distribution systems. While important p...

A Photoelectrochemical Solar Cell: An Undergraduate Experiment.

ERIC Educational Resources Information Center

Boudreau, Sharon M.; And Others

1983-01-01

Preparation and testing of a cadmium selenide photoelectrical solar cell was introduced into an environmental chemistry course to illustrate solid state semiconductor and electrochemical principles. Background information, procedures, and results are provided for the experiment which can be accomplished in a three- to four-hour laboratory session…

Analytical Applications of NMR: Summer Symposium on Analytical Chemistry.

ERIC Educational Resources Information Center

Borman, Stuart A.

1982-01-01

Highlights a symposium on analytical applications of nuclear magnetic resonance spectroscopy (NMR), discussing pulse Fourier transformation technique, two-dimensional NMR, solid state NMR, and multinuclear NMR. Includes description of ORACLE, an NMR data processing system at Syracuse University using real-time color graphics, and algorithms for…

Chemistry and Physics of Solid Surfaces 5

DTIC Science & Technology

1984-04-01

associated with dimers and trimers, Type 2 particles form large clusters of 2000-5000 A size in aqueous solution. Luminescence studies carried out with...and rates of energy transfer, real time measurements using ultrashort laser pulses hold great promise. With the possible exception of the stimulated...the dynamic prop- erties of such clusters . The clusters are not stationary entities as origi- nally envisioned. Instead even fairly large aggregates

An Assessment of Research-Doctorate Programs in the United States: Mathematical & Physical Sciences.

ERIC Educational Resources Information Center

Jones, Lyle V., Ed.; And Others

The quality of doctoral-level chemistry (N=145), computer science (N=58), geoscience (N=91), mathematics (N=115), physics (N=123), and statistics/biostatistics (N=64) programs at United States universities was assessed, using 16 measures. These measures focused on variables related to: program size; characteristics of graduates; reputational…

One-Dimensional Transport with Equilibrium Chemistry (OTEQ) - A Reactive Transport Model for Streams and Rivers

USGS Publications Warehouse

Runkel, Robert L.

2010-01-01

OTEQ is a mathematical simulation model used to characterize the fate and transport of waterborne solutes in streams and rivers. The model is formed by coupling a solute transport model with a chemical equilibrium submodel. The solute transport model is based on OTIS, a model that considers the physical processes of advection, dispersion, lateral inflow, and transient storage. The equilibrium submodel is based on MINTEQ, a model that considers the speciation and complexation of aqueous species, acid-base reactions, precipitation/dissolution, and sorption. Within OTEQ, reactions in the water column may result in the formation of solid phases (precipitates and sorbed species) that are subject to downstream transport and settling processes. Solid phases on the streambed may also interact with the water column through dissolution and sorption/desorption reactions. Consideration of both mobile (waterborne) and immobile (streambed) solid phases requires a unique set of governing differential equations and solution techniques that are developed herein. The partial differential equations describing physical transport and the algebraic equations describing chemical equilibria are coupled using the sequential iteration approach. The model's ability to simulate pH, precipitation/dissolution, and pH-dependent sorption provides a means of evaluating the complex interactions between instream chemistry and hydrologic transport at the field scale. This report details the development and application of OTEQ. Sections of the report describe model theory, input/output specifications, model applications, and installation instructions. OTEQ may be obtained over the Internet at http://water.usgs.gov/software/OTEQ.

Solid State Division progress report for period ending March 31, 1992

DOE Office of Scientific and Technical Information (OSTI.GOV)

Green, P.H.; Hinton, L.W.

1992-09-01

During this period, the division conducted a broad, interdisciplinary materials research program with emphasis on theoretical solid state physics, superconductivity, neutron scattering, synthesis and characterization of materials, ion beam and laser processing, and the structure of solids and surfaces. The High Flux Isotope Reactor was returned to full operation.

Physical solid-state properties and dissolution of sustained-release matrices of polyvinylacetate.

PubMed

Gonzalez Novoa, Gelsys Ananay; Heinämäki, Jyrki; Mirza, Sabir; Antikainen, Osmo; Colarte, Antonio Iraizoz; Paz, Alberto Suzarte; Yliruusi, Jouko

2005-02-01

Solid-state compatibility and in vitro dissolution of direct-compressed sustained-release matrices of polyvinylacetate (PVAc) and polyvinylpyrrolidone (PVP) containing ibuprofen as a model drug were studied. Polyvinylalcohol (PVA) was used as an alternative water-soluble polymer to PVP. Differential scanning calorimetry (DSC) and powder X-ray diffractometry (PXRD) were used for characterizing solid-state polymer-polymer and drug-polymer interactions. The mechanical treatment for preparing physical mixtures of polyvinyl polymers and the drug (i.e. simple blending or stressed cogrinding) was shown not to affect the physical state of the drug and the polymers. With the drug-polymer mixtures the endothermic effect due to drug melting was always evident, but a considerable modification of the melting point of the drug in physical binary mixtures (drug:PVP) was observed, suggesting some interaction between the two. On the other hand, the lack of a significant shift of the melting endothermic peak of the drug in physical tertiary drug-polymer mixtures revealed no evidence of solid-state interaction between the drug and the present polymers. Sustained-release dissolution profiles were achieved from the direct-compressed matrices made from powder mixtures of the drug and PVAc combined with PVP, and the proportion of PVAc in the mixture clearly altered the drug release profiles in vitro. The drug release from the present matrix systems is controlled by both diffusion of the drug through the hydrate matrix and the erosion of the matrix itself.

Structure, Chemistry and Property Correlations in FeSe and 122 Pnictides

NASA Astrophysics Data System (ADS)

Cava, Robert

2010-03-01

Determining how crystal structure and chemical bonding influence the properties of solids is at the heart of collaborative research programs between materials physicists and solid state chemists. In some materials, the high Tc copper oxides and colossal magnetoresistance manganates, for example, the subtleties of how structure, bonding and properties are coupled yields an almost baffling complexity, while in others, such as many classical intermetallic superconductors, the properties are more easily understood, with bonding and structure playing a less profound role. The new superconducting pnictides appear to fall somewhere between these two limits, and have so far been the subject of relatively little study by solid state chemists. Here I will describe some of our recent work on superconducting FeSe and superconductor-related ``122'' (ThCr2Si2-type) solid solution phases as examples of the kinds of insights that structural and chemical studies can contribute to understanding these important materials.

Quantum Simulation of Helium Hydride Cation in a Solid-State Spin Register.

PubMed

Wang, Ya; Dolde, Florian; Biamonte, Jacob; Babbush, Ryan; Bergholm, Ville; Yang, Sen; Jakobi, Ingmar; Neumann, Philipp; Aspuru-Guzik, Alán; Whitfield, James D; Wrachtrup, Jörg

2015-08-25

Ab initio computation of molecular properties is one of the most promising applications of quantum computing. While this problem is widely believed to be intractable for classical computers, efficient quantum algorithms exist which have the potential to vastly accelerate research throughput in fields ranging from material science to drug discovery. Using a solid-state quantum register realized in a nitrogen-vacancy (NV) defect in diamond, we compute the bond dissociation curve of the minimal basis helium hydride cation, HeH(+). Moreover, we report an energy uncertainty (given our model basis) of the order of 10(-14) hartree, which is 10 orders of magnitude below the desired chemical precision. As NV centers in diamond provide a robust and straightforward platform for quantum information processing, our work provides an important step toward a fully scalable solid-state implementation of a quantum chemistry simulator.

Layered materials

NASA Astrophysics Data System (ADS)

Johnson, David; Clarke, Simon; Wiley, John; Koumoto, Kunihito

2014-06-01

Layered compounds, materials with a large anisotropy to their bonding, electrical and/or magnetic properties, have been important in the development of solid state chemistry, physics and engineering applications. Layered materials were the initial test bed where chemists developed intercalation chemistry that evolved into the field of topochemical reactions where researchers are able to perform sequential steps to arrive at kinetically stable products that cannot be directly prepared by other approaches. Physicists have used layered compounds to discover and understand novel phenomena made more apparent through reduced dimensionality. The discovery of charge and spin density waves and more recently the remarkable discovery in condensed matter physics of the two-dimensional topological insulating state were discovered in two-dimensional materials. The understanding developed in two-dimensional materials enabled subsequent extension of these and other phenomena into three-dimensional materials. Layered compounds have also been used in many technologies as engineers and scientists used their unique properties to solve challenging technical problems (low temperature ion conduction for batteries, easy shear planes for lubrication in vacuum, edge decorated catalyst sites for catalytic removal of sulfur from oil, etc). The articles that are published in this issue provide an excellent overview of the spectrum of activities that are being pursued, as well as an introduction to some of the most established achievements in the field. Clusters of papers discussing thermoelectric properties, electronic structure and transport properties, growth of single two-dimensional layers, intercalation and more extensive topochemical reactions and the interleaving of two structures to form new materials highlight the breadth of current research in this area. These papers will hopefully serve as a useful guideline for the interested reader to different important aspects in this field and an overview of current areas of research interest.

Physics and chemistry of MoS2 intercalation compounds

NASA Technical Reports Server (NTRS)

Woollam, J. A.; Somoano, R. B.

1977-01-01

An investigation is made of the physics and chemistry of MoS2 intercalation compounds. These compounds may be separated into two groups according to their stoichiometry, structure and superconducting properties. The first group consists of Na, Ca, and Sr intercalates, and the second group consists of K, Rb, and Cs intercalates. Particular attention is given to the structure of the electronic energy band and to the normal state and superconducting properties of these compounds.

The Synthesis and Characterization of Some Fluoride Perovskites: An Undergraduate Experiment in Solid State Chemistry.

ERIC Educational Resources Information Center

Langley, Richard H.; And Others

1984-01-01

Describes a senior-level experiment dealing with the synthesis and characterization of a perovskite. Since most perovskites are cubic, their characterization by x-ray diffraction is simplified. In addition, magnetic ordering may be observed and the effects of a Jahn-Teller distortion seen. (JN)

Solar Energy Experiment for Beginning Chemistry.

ERIC Educational Resources Information Center

Davis, Clyde E.

1983-01-01

Describes an experiment illustrating how such chemical concepts as light absorption, thermodynamics, and solid-state photovoltaics can be incorporated into solar energy education. Completed in a three-hour period, the experiment requires about two hours for data collections with the remaining hour devoted to calculations and comparison of results.…

High pressure and synchrotron radiation studies of solid state electronic instabilities. Final technial report, May 1, 1984--April 1987

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pifer, J.H.; Croft, M.C.

This report discusses Eu and General Valence Instabilities; Ce Problem: L{sub 3} Spectroscopy Emphasis; Bulk Property Emphasis; Transition Metal Compound Electronic Structure; Electronic Structure-Phonon Coupling Studies; High Temperature Superconductivity and Oxide Materials; and Novel Materials Collaboration with Chemistry.

A COMPREHENSIVE APPROACH TO IDENTIFY AND QUANTIFY FUNDAMENTAL PARAMETERS THAT INFLUENCE METAL LEACHING CHEMISTRY IN LANDFILLS SYSTEMS (PRESENTATION)

EPA Science Inventory

Various anthropogenic activities generate hazardous solid wastes that are affluent in heavy metals, which can cause significant damage to the environment and human health. Heavy metals/metalloids can exist in multiple oxidation states, and can undergo oxidation or reduction when ...

A COMPREHENSIVE APPROACH TO IDENTIFY AND QUANTIFY FUNDAMENTAL PARAMETERS THAT INFLUENCE METAL LEACHING CHEMISTRY IN LANDFILLS SYSTEMS (ABSTRACT)

EPA Science Inventory

Various anthropogenic activities generate hazardous solid wastes that are affluent in heavy metals, which can cause significant damage to the environment and human health. Heavy metals/metalloids can exist in multiple oxidation states, and can undergo oxidation or reduction when ...

The Physics Teacher: The Four States of Matter--Solid, Squishy, Liquid and Gas

ERIC Educational Resources Information Center

Clark, Roy W.

2007-01-01

The Physics Teacher provides introductory physics education at the high school and university levels and some of its articles are of interest to chemists. One such article points out that several substances used in the kitchen and bathrooms are not simple liquids or solids but are squishy substances, which include mayonnaise, shaving cream,…

Slush Fund: The Multiphase Nature of Oceanic Ices and Its Role in Shaping Europa's Icy Shell

NASA Astrophysics Data System (ADS)

Buffo, J.; Schmidt, B. E.; Huber, C.

2017-12-01

The role of Europa's ice shell in mediating ocean-surface interaction, constraining potential habitability of the underlying hydrosphere, and dictating the surface morphology of the moon is discussed extensively in the literature, yet the dynamics and characteristics of the shell itself remain largely unconstrained. Some of the largest unknowns arise from underrepresented physics and varying a priori assumptions built into the current ice shell models. Here we modify and apply a validated one-dimensional reactive transport model designed to simulate the formation and evolution of terrestrial sea ice to the Europa environment. The top-down freezing of sea ice due to conductive heat loss to the atmosphere is akin to the formation of the Jovian moon's outer ice shell, albeit on a different temporal and spatial scale. Nevertheless, the microscale physics that govern the formation of sea ice on Earth (heterogenous solidification leading to brine pockets and channels, multiphase reactive transport phenomena, gravity drainage) likely operate in a similar manner at the ice-ocean interface of Europa, dictating the thermal, chemical, and mechanical properties of the ice shell. Simulations of the European ice-ocean interface at different stages during the ice shell's evolution are interpolated to produce vertical profiles of temperature, salinity, solid fraction, and eutectic points throughout the entire shell. Additionally, the model is coupled to the equilibrium chemistry package FREZCHEM to investigate the impact a diverse range of putative European ocean chemistries has on ice shell properties. This method removes the need for a priori assumptions of impurity entrainment rates and ice shell properties, thus providing a first principles constraint on the stratigraphic characteristics of a simulated European ice shell. These insights have the potential to improve existing estimates for the onset of solid state convection, melt lens formation due to eutectic melting, ice shell thickness, and ocean-surface interaction rates. Moreover, this work aims to shed light on the important role microscale physics plays in determining the macroscale properties of icy worlds by highlighting and adapting successful multiphase reactive transport sea ice models utilized in large scale Earth systems science simulations.

Charge-transfer dynamics and nonlocal dielectric permittivity tuned with metamaterial structures as solvent analogues

NASA Astrophysics Data System (ADS)

Lee, Kwang Jin; Xiao, Yiming; Woo, Jae Heun; Kim, Eunsun; Kreher, David; Attias, André-Jean; Mathevet, Fabrice; Ribierre, Jean-Charles; Wu, Jeong Weon; André, Pascal

2017-07-01

Charge transfer (CT) is a fundamental and ubiquitous mechanism in biology, physics and chemistry. Here, we evidence that CT dynamics can be altered by multi-layered hyperbolic metamaterial (HMM) substrates. Taking triphenylene:perylene diimide dyad supramolecular self-assemblies as a model system, we reveal longer-lived CT states in the presence of HMM structures, with both charge separation and recombination characteristic times increased by factors of 2.4 and 1.7--that is, relative variations of 140 and 73%, respectively. To rationalize these experimental results in terms of driving force, we successfully introduce image dipole interactions in Marcus theory. The non-local effect herein demonstrated is directly linked to the number of metal-dielectric pairs, can be formalized in the dielectric permittivity, and is presented as a solid analogue to local solvent polarity effects. This model and extra PH3T:PC60BM results show the generality of this non-local phenomenon and that a wide range of kinetic tailoring opportunities can arise from substrate engineering. This work paves the way toward the design of artificial substrates to control CT dynamics of interest for applications in optoelectronics and chemistry.

Synthesis and Physical Properties of Liquid Crystals: An Interdisciplinary Experiment

ERIC Educational Resources Information Center

Van Hecke, Gerald R.; Karukstis, Kerry K.; Hanhan Li; Hendargo, Hansford C.; Cosand, Andrew J.; Fox, Marja M.

2005-01-01

A study involves multiple chemistry and physics concepts applied to a state of matter that has biological relevance. An experiment involving the synthesis and physical properties of liquid crystals illustrates the interdisciplinary nature of liquid crystal research and the practical devices derived from such research.

Nanoscale Pore Features and Associated Fluid Behavior in Shale

NASA Astrophysics Data System (ADS)

Cole, D. R.; Striolo, A.

2017-12-01

Unconventional hydrocarbons occurring in economic abundance require greater than industry-standard levels of technology or investment to exploit. Geological formations that host unconventional oil and gas are extraordinarily heterogeneous and exhibit a wide range of physical and chemical features that can vary over many orders of magnitude in length scale. The size, distribution and connectivity of these confined geometries, the chemistry of the solid, the chemistry of the fluids and their physical properties collectively dictate how fluids migrate into and through these micro- and nano-environments, wet and ultimately react with the solid surfaces. Our current understanding of the rates and mechanisms of fluid and mass transport and interaction within these multiporosity systems at the molecular scale is far less robust than we would like. This presentation will take a two-fold approach to this topic area. First, a brief overview is provided that highlights the use of advanced electron microscopy and neutrons scattering methods to quantify the nature of the nanopore system that hosts hydrocarbons in representative gas shale formations such as the Utica, Marcellus and Eagle Ford. Second, results will be presented that leverage the application of state-of-the-art experimental, analytical and computational tools to assess key features of the fluid-matrix interaction relevant to shale settings. The multidisciplinary approaches highlighted will include neutron scattering and NMR experiments, thermodynamic measurements and molecular-level simulations to quantitatively assess molecular properties of C-O-H fluids confined to well-characterized porous media, subjected to temperatures and pressures relevant to subsurface energy systems. These studies conducted in concert are beginning to provide a fundamental understanding at the molecular level of how intrinsically different hydrocarbon-bearing fluids behave in confined geometries compared to bulk systems, and shed light on key geochemical processes such as fluid wetting, competitive sorption and the onset of mineral dissolution and precipitation.

Women in Physics.

ERIC Educational Resources Information Center

Roth, Laura M.; O'Fallon, Nancy M.

This booklet presents information about career opportunities for women in physics. Included are summaries of research areas in physics (optical physics, solid-state physics, materials science, nuclear physics, high-energy physics, astrophysics, cryogenics, plasma physics, biophysics, atmospheric physics) and differences between theory and…

Readability and Reading Ease Revisited: State-Adopted Science Textbooks.

ERIC Educational Resources Information Center

Chavkin, Laura

1997-01-01

Examines if the reading levels of state-adopted science textbooks at the high-school level are consistent with their intended reader levels. Finds that four of five chemistry textbooks had reading levels beyond high school, while biology textbooks fared better but not as well as the physics and physical science textbooks, which were on grade level…

Quantum Dot Surface Engineering: Toward Inert Fluorophores with Compact Size and Bright, Stable Emission

PubMed Central

Lim, Sung Jun; Ma, Liang; Schleife, André; Smith, Andrew M.

2016-01-01

The surfaces of colloidal nanocrystals are complex interfaces between solid crystals, coordinating ligands, and liquid solutions. For fluorescent quantum dots, the properties of the surface vastly influence the efficiency of light emission, stability, and physical interactions, and thus determine their sensitivity and specificity when they are used to detect and image biological molecules. But after more than 30 years of study, the surfaces of quantum dots remain poorly understood and continue to be an important subject of both experimental and theoretical research. In this article, we review the physics and chemistry of quantum dot surfaces and describe approaches to engineer optimal fluorescent probes for applications in biomolecular imaging and sensing. We describe the structure and electronic properties of crystalline facets, the chemistry of ligand coordination, and the impact of ligands on optical properties. We further describe recent advances in compact coatings that have significantly improved their properties by providing small hydrodynamic size, high stability and fluorescence efficiency, and minimal nonspecific interactions with cells and biological molecules. While major progress has been made in both basic and applied research, many questions remain in the chemistry and physics of quantum dot surfaces that have hindered key breakthroughs to fully optimize their properties. PMID:28344357

Classification of solid dispersions: correlation to (i) stability and solubility (ii) preparation and characterization techniques.

PubMed

Meng, Fan; Gala, Urvi; Chauhan, Harsh

2015-01-01

Solid dispersion has been a topic of interest in recent years for its potential in improving oral bioavailability, especially for poorly water soluble drugs where dissolution could be the rate-limiting step of oral absorption. Understanding the physical state of the drug and polymers in solid dispersions is essential as it influences both the stability and solubility of these systems. This review emphasizes on the classification of solid dispersions based on the physical states of drug and polymer. Based on this classification, stability aspects such as crystallization tendency, glass transition temperature (Tg), drug polymer miscibility, molecular mobility, etc. and solubility aspects have been discussed. In addition, preparation and characterization methods for binary solid dispersions based on the classification have also been discussed.

Accelerating proof of concept for small molecule drugs using solid-state chemistry.

PubMed

Byrn, Stephen R; Zografi, George; Chen, Xiaoming Sean

2010-09-01

In this perspective we have shown that the process of "proof of concept" (POC) in the early part of drug development can be greatly accelerated by close attention to the underlying solid-state chemistry (SSC) of a new chemical entity. POC seeks data that provide confidence in the therapeutic activity and safety of a new chemical entity, which can rapidly lead to a key "GO/NO-GO" decision point for further development. Due to the high cost of the development of new chemical entities and the current low overall productivity of obtaining successful candidates, the pharmaceutical industry is being required to develop accelerated POC strategies. The success of accelerated approaches to POC depends on a full understanding of the SSC of drugs in relation to solubility and stability. Dissolution-limited absorption due to poor solubility of drug substances is particularly important because it can lead to low exposure in animals and undesired bioavailability in humans. Choosing a desirable solid form with sufficient solubility and acceptable stability is essential in developing formulations for POC with superior quality. In this perspective we present an approach that utilizes SSC as part of a novel 2-year development strategy for reaching the pivotal clinical trial stage of development.

Device and method for enhanced collection and assay of chemicals with high surface area ceramic

DOEpatents

Addleman, Raymond S.; Li, Xiaohong Shari; Chouyyok, Wilaiwan; Cinson, Anthony D.; Bays, John T.; Wallace, Krys

2016-02-16

A method and device for enhanced capture of target analytes is disclosed. This invention relates to collection of chemicals for separations and analysis. More specifically, this invention relates to a solid phase microextraction (SPME) device having better capability for chemical collection and analysis. This includes better physical stability, capacity for chemical collection, flexible surface chemistry and high affinity for target analyte.

Preface: phys. stat. sol. (b) 243/5

NASA Astrophysics Data System (ADS)

Artacho, Emilio; Beck, Thomas L.; Hernández, Eduardo

Between 20 and 24 June 2005 the Centre Européen de Calcul Atomique et Moléculaire - or CECAM, as it is more widely known - hosted a workshop entitled State-of-the-art, developments and perspectives of real-space electronic structure methods in condensed-matter and chemical physics, organized with the support of CECAM itself and the ?k network. The workshop was attended by some forty participants coming from fifteen countries, and about thirty presentations were given. The workshop provided a lively forum for the discussion of recent methodological developments in electronic structure calculations, ranging from linear-scaling methods, mesh techniques, time-dependent density functional methods, and a long etcetera, which had been our ultimate objective when undertaking its organization.The first-principles simulation of solids, liquids and complex matter in general has jumped in the last few years from the relatively confined niches in condensed matter and materials physics and in quantum chemistry, to cover most of the sciences, including nano, bio, geo, environmental sciences and engineering. This effect has been propitiated by the ability of simulation techniques to deal with an ever larger degree of complexity. Although this is partially to be attributed to the steady increase in computer power, the main factor behind this change has been the coming of age of the main theoretical framework for most of the simulations performed today, together with an extremely active development of the basic algorithms for its computer implementation. It is this latter aspect that is the topic of this special issue of physica status solidi.There is a relentless effort in the scientific community seeking to achieve not only higher accuracy, but also more efficient, cost-effective and if possible simpler computational methods in electronic structure calculations [1]. From the early 1990s onwards there has been a keen interest in the computational condensed matter and chemical physics communities in methods that had the potential to overcome the unfavourable scaling of the computational cost with the system size, implicit in the momentum-space formalism familiar to solid-state physicists and the quantum chemistry approaches more common in chemical physics and physical chemistry. This interest was sparkled by the famous paper in which Weitao Yang [2] introduced the Divide and Conquer method. Soon afterwards several practical schemes aiming to achieve linear-scaling calculations, by exploiting what Walter Kohn called most aptly the near-sightedness of quantum mechanics [3], were proposed and explored (for a review on linear-scaling methods, see [4]). This search for novel, more efficient and better scaling algorithms proved to be fruitful in more than one way. Not only was it the start of several packages which are well-known today (such as Siesta, Conquest, etc.), but it also leads to new ways of representing electronic states and orbitals, such as grids [5, 6], wavelets [7], finite elements, etc. Also, the drive to exploit near-sightedness attracted computational solid state physicists to the type of atomic-like basis functions traditionally used in the quantum chemistry community. At the same time computational chemists learnt about plane waves and density functional theory, and thus a fruitful dialogue was started between two communities that hitherto had not had much contact.Another interesting development that has begun to take place over the last decade or so is the convergence of several branches of science, notably physics, chemistry and biology, at the nanoscale. Experimentalists in all these different fields are now performing highly sophisticated measurements on systems of nanometer size, the kind of systems that us theoreticians can address with our computational methods, and this convergence of experiment and theory at this scale has also been very fruitful, particularly in the fields of electronic transport and STM image simulation. It is now quite common to find papers at the cutting edge of nanoscience and nanotechnology co-authored by experimentalists and theorists, and it can only be expected that this fruitful interplay between theory and experiment will increase in the future.It was considerations such as these that moved us to propose to CECAM and ?k the celebration of a workshop devoted to the discussion of recent developments in electronic structure techniques, a proposal that was enthusiastically received, not just by CECAM and ?k, but also by our invited speakers and participants. Interest in novel electronic structure methods is now as high as ever, and we are therefore very happy that physica status solidi has given us the opportunity to devote a special issue to the topics covered in the workshop. This special issue of physica status solidi gathers invited contributions from several attendants to the workshop, contributions that are representative of the range of topics and issues discussed then, including progress in linear scaling methods, electronic transport, simulation of STM images, time-dependent DFT methods, etc. It rests for us to thank all the contributors to this special issue for their efforts, CECAM and ?k for funding the workshop, physica status solidi for agreeing to devote this special issue to the workshop, and last but not least Emmanuelle and Emilie, the CECAM secretaries, for their invaluable practical help in putting this workshop together

The physics of photons and neutrons with applications of deuterium labeling methods to polymers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wignall, G.D.

1986-12-01

Over the past decade small-angle neutron scattering (SANS), has found numerous applications in the fields of biology, polymer science, physical chemistry, materials science, metallurgy, colloids, and solid state physics. A number of excellent references are available which contain basic neutron scattering theory though these text books reflect the origins of the technique and the examples are largely drawn from physics e.g., single crystals, simple liquids, monatomic gases, liquid metals, magnetic materials, etc. in view of the large numbers of nonspecialists who are increasingly using neutron scattering, the need has become apparent for presentations which can provide rapid access to themore » method without unnecessary detail and mathematical rigor. This article is meant to serve as a general introduction to the symposium ''Scattering Deformation and Fracture in Polymers,'' and is intended to aid potential users who have a general scientific background, but no specialist knowledge of scattering, to apply the technique to provide new information in areas of their own particular interests. In view of space limitations, the general theory will be given in the case for neutron scattering and analogies and differences with photon scattering (x-rays) will be pointed out at the appropriate point. 90 refs., 6 figs.« less

Kinetics of intercalation of fluorescent probes in magnesium-aluminium layered double hydroxide within a multiscale reaction-diffusion framework

NASA Astrophysics Data System (ADS)

Saliba, Daniel; Al-Ghoul, Mazen

2016-11-01

We report the synthesis of magnesium-aluminium layered double hydroxide (LDH) using a reaction-diffusion framework (RDF) that exploits the multiscale coupling of molecular diffusion with chemical reactions, nucleation and growth of crystals. In an RDF, the hydroxide anions are allowed to diffuse into an organic gel matrix containing the salt mixture needed for the precipitation of the LDH. The chemical structure and composition of the synthesized magnesium-aluminium LDHs are determined using powder X-ray diffraction (PXRD), thermo-gravimetric analysis, differential scanning calorimetry, solid-state nuclear magnetic resonance (SSNMR), Fourier transform infrared and energy dispersive X-ray spectroscopy. This novel technique also allows the investigation of the mechanism of intercalation of some fluorescent probes, such as the neutral three-dimensional rhodamine B (RhB) and the negatively charged two-dimensional 8-hydroxypyrene-1,3,6-trisulfonic acid (HPTS), using in situ steady-state fluorescence spectroscopy. The incorporation of these organic dyes inside the interlayer region of the LDH is confirmed via fluorescence microscopy, solid-state lifetime, SSNMR and PXRD. The activation energies of intercalation of the corresponding molecules (RhB and HPTS) are computed and exhibit dependence on the geometry of the involved probe (two or three dimensions), the charge of the fluorescent molecule (anionic, cationic or neutral) and the cationic ratio of the corresponding LDH. This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'.

Quantum Dot Sensitized Solar Cells Based on Ternary Metal Oxide Nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Wenyong; Tang, Jinke; Dahnovsky, Yuri

In Phase I of this project we investigate quantum dot sensitized solar cells (QDSSCs) based on ternary metal oxide nanowires and study the physical and chemical mechanisms that govern device operation. Our research has the following five objectives: (1) synthesis of ternary metal oxide nanowires, (2) synthesis of QDs and exploration of non-solution based QD deposition methods, (3) physical and electro-optical characterizations of fabricated solar devices, (4) device modeling and first-principle theoretical study of transport physics, and (5) investigation of long-term stability issues of QD sensitized solar cells. In Phase II of this project our first major research goal ismore » to investigate magnetically doped quantum dots and related spin polarization effect, which could improve light absorption and suppress electron relaxation in the QDs. We will utilize both physical and chemical methods to synthesize these doped QDs. We will also study magnetically modified nanowires and introduce spin-polarized transport into QDSSCs, and inspect its impact on forward electron injection and back electron transfer processes. Our second goal is to study novel solid-state electrolytes for QDSSCs. Specifically, we will inspect a new type of polymer electrolytes based on a modified polysulfide redox couple, and examine the effect of their electrical properties on QDSSC performance. These solid-state electrolytes could also be used as filler materials for in situ sample fracturing in STM and enable cross-sectional interface examination of QD/nanowire structures. Our third research goal is to examine the interfacial properties such as energy level alignment at QD/nanowire interfaces using the newly developed Cross-sectional Scanning Tunneling Microscopy and Spectroscopy technique for non-cleavable materials. This technique allows a direct probing of band structures and alignment at device interfaces, which could generate important insight into the mechanisms that govern QDSSC operation. These investigations will be carried out through a close collaboration between our experimental and theoretical efforts in this project. This project initiates an important research direction in the jurisdiction of Wyoming. It brings together researchers from different academic disciplines including physics, chemistry, materials science, and engineering to work on one common scientific theme, and is a vital step towards the establishment of an nationally competitive research program in energy-related nanomaterials in the state of Wyoming.« less

Impact and mitigation of stratospheric ozone depletion by chemical rockets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mcdonald, A.J.

1992-03-01

The American Institute of Aeronautics and Astronautics (AIAA) conducted a workshop in conjunction with the 1991 AIAA Joint Propulsion Conference in Sacramento, California, to assess the impact of chemical rocket propulsion on the environment. The workshop included recognized experts from the fields of atmospheric physics and chemistry, solid rocket propulsion, liquid rocket propulsion, government, and environmental agencies, and representatives from several responsible environmental organizations. The conclusion from this workshop relative to stratospheric ozone depletion was that neither solid nor liquid rocket launchers have a significant impact on stratospheric ozone depletion, and that there is no real significant difference between themore » two.« less

On the “alpha-phase” of Ca{sub 2−x}Sr{sub x}MnO{sub 4} and extending the chemistry of Sr{sub 7−y}Ca{sub y}Mn{sub 4}O{sub 15} to y>1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Craddock, Sarah; Senn, Mark S.

There has been renewed interest in the Ruddlesden-Popper phase (n=2) of composition Ca{sub n+1}Mn{sub n}O{sub 3} {sub n+1} in the light of recent research that has highlighted the nature of the improper ferroelectric ground state, which arises due to the couplings between specific combinations of MnO{sub 6} octahedral rotations and tilts. A fruitful route to control these octahedral degrees of freedom, and hence such desired physical properties, is through chemical substitution on the A–site cation i.e. Ca{sub 2−x}Sr{sub x}MnO{sub 4} for n =1, and in light of this, we have reinvestigated the chemistry of this solid solution. Here we focusmore » on a common impurity phase observed during this synthesis which has been termed the “alpha-phase” in the literature. We show that this impurity phase is actually comprised mainly of a structure related to Sr{sub 7}Mn{sub 4}O{sub 15} but is found here with significantly higher Ca substitution than previously believed possible. Sr{sub 7}Mn{sub 4}O{sub 15} is an interesting structural type in its own right, but has been mainly overlooked to date, exhibiting interesting physics related to low dimensional magnetic ordering and dimer interactions, and we show here that the structural type is a likely candidate for exhibiting a multiferroic ground state. The prospect of being able to tune the lattice and the exchange interactions through further chemical substitution is likely to lead to a renewed interest in this material. - Graphical abstract: Extending the chemistry of Sr{sub 7−y}Ca{sub y}Mn{sub 4}O{sub 15} beyond y>1, revealing highly anisotropic cation ordering and tunable magnetic properties. - Highlights: • Chemistry of the unique structural type Sr{sub 7}Mn{sub 4}O{sub 15} is extended to high Ca concentrations. • Cation occupancy model is determined, showing highly anisotropic solubility of Ca on the 7 unique Sr crystallographic sites. • Anomalies in the magnetic susceptibility data are discussed with reference to symmetry arguments pointing towards a possible novel multiferroic mechanism in this material.« less

Layered Lepidocrocite Type Structure Isolated by Revisiting the Sol–Gel Chemistry of Anatase TiO 2 : A New Anode Material for Batteries

DOE PAGES

Ma, Jiwei; Reeves, Kyle G.; Porras Gutierrez, Ana-Gabriela; ...

2017-09-19

Searches for new electrode materials for batteries must comply on financial and environmental costs to be useful in practical devices. The sol-gel chemistry has been widely used to design and implemented new concepts for the emergence of advanced materials such as hydride organic-inorganic composites. Here, we show that the simple reaction system including titanium alkoxide and water can be used to stabilize a new class of electrode materials. By investigating the crystallization path of anatase TiO2, an X-ray amorphous intermediate phase has been identified whose local structure probed by the pair distribution function, 1H solid-state NMR and DFT calculations, consistsmore » of a layered-type structure as found in the lepido-crocite. This phase presents the following general formula Ti 2-x⟂ xO 4-4x(OH) 4x.nH 2O (x ~ 0.5) where the substitution of oxide by hydroxide anions leads to the formation of titanium vacancies (•) and H 2O molecules are located in interlayers. Solid-state 1H NMR has enabled to characterize three main hydroxide environments that are Ti⟂-OH, Ti 2⟂ 2-OH and Ti3⟂-OH and layered H 2O molecules. The electrochemical properties of this phase were further investigated versus lithium and is shown to be very promising with reversible capacities of around 200 mAh.g -1 and an operating voltage of 1.55 V. We further showed that the lithium intercalation proceeds via a solid-solution mechanism. 7Li solid-state NMR and DFT calculations allowed to identify lithium host sites that are located at the titanium vacancies and interlayer space with lithium being solvated by structural water molecules. The easy fabrication, the absence of lithium and easier recycling and the encouraging properties makes this class of materials very attractive for competitive electrodes for batteries. We thus demonstrate that the revisit of an “old” chemistry with advanced characterization tools allows discovering new materials of technological relevance.« less

Layered Lepidocrocite Type Structure Isolated by Revisiting the Sol–Gel Chemistry of Anatase TiO 2 : A New Anode Material for Batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ma, Jiwei; Reeves, Kyle G.; Porras Gutierrez, Ana-Gabriela

Searches for new electrode materials for batteries must comply on financial and environmental costs to be useful in practical devices. The sol-gel chemistry has been widely used to design and implemented new concepts for the emergence of advanced materials such as hydride organic-inorganic composites. Here, we show that the simple reaction system including titanium alkoxide and water can be used to stabilize a new class of electrode materials. By investigating the crystallization path of anatase TiO2, an X-ray amorphous intermediate phase has been identified whose local structure probed by the pair distribution function, 1H solid-state NMR and DFT calculations, consistsmore » of a layered-type structure as found in the lepido-crocite. This phase presents the following general formula Ti 2-x⟂ xO 4-4x(OH) 4x.nH 2O (x ~ 0.5) where the substitution of oxide by hydroxide anions leads to the formation of titanium vacancies (•) and H 2O molecules are located in interlayers. Solid-state 1H NMR has enabled to characterize three main hydroxide environments that are Ti⟂-OH, Ti 2⟂ 2-OH and Ti3⟂-OH and layered H 2O molecules. The electrochemical properties of this phase were further investigated versus lithium and is shown to be very promising with reversible capacities of around 200 mAh.g -1 and an operating voltage of 1.55 V. We further showed that the lithium intercalation proceeds via a solid-solution mechanism. 7Li solid-state NMR and DFT calculations allowed to identify lithium host sites that are located at the titanium vacancies and interlayer space with lithium being solvated by structural water molecules. The easy fabrication, the absence of lithium and easier recycling and the encouraging properties makes this class of materials very attractive for competitive electrodes for batteries. We thus demonstrate that the revisit of an “old” chemistry with advanced characterization tools allows discovering new materials of technological relevance.« less

Improving Peptide Applications Using Nanotechnology.

PubMed

Narayanaswamy, Radhika; Wang, Tao; Torchilin, Vladimir P

2016-01-01

Peptides are being successfully used in various fields including therapy and drug delivery. With advancement in nanotechnology and targeted delivery carrier systems, suitable modification of peptides has enabled achievement of many desirable goals over-riding some of the major disadvantages associated with the delivery of peptides in vivo. Conjugation or physical encapsulation of peptides to various nanocarriers, such as liposomes, micelles and solid-lipid nanoparticles, has improved their in vivo performance multi-fold. The amenability of peptides to modification in chemistry and functionalization with suitable nanocarriers are very relevant aspects in their use and have led to the use of 'smart' nanoparticles with suitable linker chemistries that favor peptide targeting or release at the desired sites, minimizing off-target effects. This review focuses on how nanotechnology has been used to improve the number of peptide applications. The paper also focuses on the chemistry behind peptide conjugation to nanocarriers, the commonly employed linker chemistries and the several improvements that have already been achieved in the areas of peptide use with the help of nanotechnology.

The solid state physics programme at ISOLDE: recent developments and perspectives

NASA Astrophysics Data System (ADS)

Johnston, Karl; Schell, Juliana; Correia, J. G.; Deicher, M.; Gunnlaugsson, H. P.; Fenta, A. S.; David-Bosne, E.; Costa, A. R. G.; Lupascu, Doru C.

2017-10-01

Solid state physics (SSP) research at ISOLDE has been running since the mid-1970s and accounts for about 10%-15% of the overall physics programme. ISOLDE is the world flagship for the on-line production of exotic radioactive isotopes, with high yields, high elemental selectivity and isotopic purity. Consequently, it hosts a panoply of state-of-the-art nuclear techniques which apply nuclear methods to research on life sciences, material science and bio-chemical physics. The ease of detecting radioactivity—<1 ppm concentrations—is one of the features which distinguishes the use of radioisotopes for materials science research. The manner in which nuclear momenta of excited nuclear states interact with their local electronic and magnetic environment, or how charged emitted particles interact with the crystalline lattices allow the determination of the location, its action and the role of the selected impurity element at the nanoscopic state. ISOLDE offers an unrivalled range of available radioactive elements and this is attracting an increasing user community in the field of nuclear SSP research and brings together a community of materials scientists and specialists in nuclear solid state techniques. This article describes the current status of this programme along with recent illustrative results, predicting a bright future for these unique research methods and collaborations.

Putting Physics First: Three Case Studies of High School Science Department and Course Sequence Reorganization

ERIC Educational Resources Information Center

Larkin, Douglas B.

2016-01-01

This article examines the process of shifting to a "Physics First" sequence in science course offerings in three school districts in the United States. This curricular sequence reverses the more common U.S. high school sequence of biology/chemistry/physics, and has gained substantial support in the physics education community over the…

The Numbers Speak: Physics First Supports Math Performance

ERIC Educational Resources Information Center

Glasser, Howard M.

2012-01-01

More schools in the United States have begun teaching physics to ninth-graders, but there continues to be limited evidence that such a change benefits students. Many arguments in favor of Physics First and the inverted sequence of physics-chemistry-biology are based more on the intellectual logic of the sequence than on measured outcomes. Paul…

Photo-physical properties and triplet-triplet absorption of platinum(II) acetylides in solid PMMA matrices

NASA Astrophysics Data System (ADS)

Glimsdal, Eirik; Westlund, Robert; Lindgren, Mikael

2009-05-01

Because of their strong nonlinear optical properties, Platinum(II) acetylides are investigated as potential chromophores for optical power limiting (OPL) applications. The strong excited state absorption and efficient intersystem crossing to the triplet states in these materials are desired properties for good OPL performance. We recently reported on OPL and photo-physical properties of Pt(II)-acetylide chromophores in solution, modified with thiophenyl or triazole groups. [R. Westlund et al. J. Mater. Chem. 18, 166 (2008); E. Glimsdal et al. Proc. SPIE 6740, 67400M (2007)] The chromophores were later incorporated into poly(methyl-methacrylate) (PMMA) glasses. A variety of doped organic solids were prepared, reaching concentrations of up to 13 wt% of the guest molecule. Raman spectra of the doped solid devices proved that the chemical structure of the nonlinear dyes remains intact upon the polymerization of the solid matrix. Luminescence spectra confirm that the basic photo-physical properties (absorption, emission and inter-system crossing) observed for the solute molecules in THF are maintained also in the solid state. In particular, the phosphorescence lifetime stays in the order of μs to ms, just as in the oxygen evacuated liquid samples. Also, the wavelength dependence and time-dynamics of the triplet absorption spectra of the dyes, dissolved in THF solution and dispersed in solid PMMA matrices, were investigated and compared. Ground state UV absorption spectra between 300 and 420 nm have corresponding broad band visible triplet-triplet absorption between 400 and 800 nm. The triplet state extinction coefficients were determined to be in the order of 104 M-1cm-1.

Novel Layered Supercell Structure from Bi 2AlMnO 6 for Multifunctionalities

DOE PAGES

Li, Leigang; Boullay, Philippe; Lu, Ping; ...

2017-10-02

Layered materials, e.g., graphene and transition metal (di)chalcogenides, holding great promises in nanoscale device applications have been extensively studied in fundamental chemistry, solid state physics and materials research areas. In parallel, layered oxides (e.g., Aurivillius and Ruddlesden–Popper phases) present an attractive class of materials both because of their rich physics behind and potential device applications. In this work, we report a novel layered oxide material with self-assembled layered supercell structure consisting of two mismatch-layered sublattices of [Bi 3O 3+δ] and [MO 2] 1.84 (M = Al/Mn, simply named BAMO), i.e., alternative layered stacking of two mutually incommensurate sublattices made ofmore » a three-layer-thick Bi–O slab and a one-layer-thick Al/Mn–O octahedra slab in the out-of-plane direction. Strong room-temperature ferromagnetic and piezoelectric responses as well as anisotropic optical property have been demonstrated with great potentials in various device applications. Furthermore, the realization of the novel BAMO layered supercell structure in this work has paved an avenue toward exploring and designing new materials with multifunctionalities.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Leigang; Boullay, Philippe; Lu, Ping

Layered materials, e.g., graphene and transition metal (di)chalcogenides, holding great promises in nanoscale device applications have been extensively studied in fundamental chemistry, solid state physics and materials research areas. In parallel, layered oxides (e.g., Aurivillius and Ruddlesden–Popper phases) present an attractive class of materials both because of their rich physics behind and potential device applications. In this work, we report a novel layered oxide material with self-assembled layered supercell structure consisting of two mismatch-layered sublattices of [Bi 3O 3+δ] and [MO 2] 1.84 (M = Al/Mn, simply named BAMO), i.e., alternative layered stacking of two mutually incommensurate sublattices made ofmore » a three-layer-thick Bi–O slab and a one-layer-thick Al/Mn–O octahedra slab in the out-of-plane direction. Strong room-temperature ferromagnetic and piezoelectric responses as well as anisotropic optical property have been demonstrated with great potentials in various device applications. Furthermore, the realization of the novel BAMO layered supercell structure in this work has paved an avenue toward exploring and designing new materials with multifunctionalities.« less

On-Chip Electrolytic Chemistry for the Tuning of Graphene Devices

NASA Astrophysics Data System (ADS)

Schmucker, Scott; Ruppalt, Laura; Culbertson, James; Do, Jae Won; Lyding, Joseph; Robinson, Jeremy; Cress, Cory

2015-03-01

The inherent interfacial nature of two-dimensional materials has motivated the tuning of these films by choice of substrate or chemical functionalization. Such parameters are generally selected during fabrication, and therefore remain static during device operation. However, the possibility of dynamic chemistry in a tunable solid-state system will enable the development of new devices which fully leverage the rich chemistry of graphenic materials. Here, we fabricate a novel device for localized, dynamic doping and functionalization of graphene that is compatible with CMOS processing. The device is enabled by a top-gated, solid electrochemical cell designed with calcium fluoride (CaF2) substituting the oxide of a traditional MOSFET. When the CaF2 is gated, F flows from cathode to anode, segregating Ca and F. In this work, one electrode is graphene. When saturated with fluorine, graphene undergoes covalent modification, becoming a wide-bandgap semiconductor. In contrast, when functionalized with calcium or dilute fluorine, graphene is electron or hole doped, respectively. With transport, Raman, and XPS, we demonstrate this lithographically localized and reversible modulation of graphene's electronic and chemical character.

Production of CN (A2pi i) in the Photolysis of Acetonitrile at 158 nm.

DTIC Science & Technology

1985-09-30

Publication in Chemical Physics Letters Laser Chemistry Division Department of Chemistry Howard University Washington, D. C. 20059 September 30, 1985...4o. 1 1 m HOWARD UNIVERSITY WASHINGTON. D.C. 20059 DEPARTMENT OF CHEMIST Uf’, 0 IAn - U, -E o𔃾 -I~; - " -- w °j"" = 0-- m U, - z fdm !8d k- p;7 I ×0...E. Walrafen Department of Chemistry Department of Chemistry Colorado State University Howard University Fort Collins, Colorado 80521 Washington, D.C

Heterogeneous Catalytic Chemistry by Example of Industrial Applications

ERIC Educational Resources Information Center

Heveling, Josef

2012-01-01

Worldwide, more than 85% of all chemical products are manufactured with the help of catalysts. Virtually all transition metals of the periodic table are active as catalysts or catalyst promoters. Catalysts are divided into homogeneous catalysts, which are soluble in the reaction medium, and heterogeneous catalysts, which remain in the solid state.…

Adsorption of Phosphate on Goethite: An Undergraduate Research Laboratory Project

ERIC Educational Resources Information Center

Tribe, Lorena; Barja, Beatriz C.

2004-01-01

A laboratory experiment on the adsorption of phosphate on goethite is presented, which also includes discussion on surface properties, interfaces, acid-base equilibrium, molecular structure and solid state chemistry. It was seen that many students were able to produce qualitatively correct results for a complex system of real interest and they…

Solid State Research.

DTIC Science & Technology

1984-05-15

The chemistry of the conventional CVD of W films may be summarized by the overall reaction, WF 6 + 3 H2 - W + 6 HF (2-I) The activation energy for the...3 GATE VOLTAGE M Psum 3-1. Subdwedi obMaauls of n- &Md p-donnal SOIINOITs beforw de atar -vmdlmion. 30 - , ’_ 1 - - - - - -. .I Another effect of

Nanostructure, Defect Chemistry and Properties of Relaxor Ferroelectrics

DTIC Science & Technology

1992-02-01

BKZN’ cannot be obtained with a reasonable reproducibility due to the volatility of potassium . However, the typical acceptor behavior could still be...1989): "Non-stoichiometry and Transport in Strontium Ferrate Sr2 Fe2 O 2 1 , Submitted to the J. Solid State Chem.. Chen, J., Chan, H.M. and Harmer

The effectiveness of computer-generated 3D animations in inquiry chemistry laboratory

NASA Astrophysics Data System (ADS)

Theall, Rachel Morgan

It has been shown that students need a molecular-level understanding of substances in order to comprehend chemistry. For solid structures, atomic-level understanding requires students to learn additional and different concepts than for other states of matter. To aid understanding, animations were created to model unit cell structures and depict the properties of unit cells. In order to determine if these animations are helpful to students, they were tested during a laboratory exercise in which students had previously been using model kits and images from textbooks to learn about solid structures. Students evaluated in this study were from two lecture sections of general chemistry, one that routinely used animations during lecture and one that used a more traditional lecture format that did not include animations or models. Twelve laboratory sections of these lectures, taught by six different instructors each teaching two sections, were chosen for participation. One section for each instructor was given the animations as an optional tool for completing the laboratory assignment, which consisted of questions about unit cells and crystal structures. The results of the study indicate that students who looked at the animations performed significantly better on the assignment. For the control group, students who routinely viewed multiple representations of chemistry in lecture performed significantly better on the lab assignment than students in the lecture section where chemistry concepts were only presented on the chalkboard and overhead projector. Students in the traditional lecture section also had significantly less appreciation for the model kits used in the laboratory than students in the other lecture section. Observations of students in the lab combined with statistical results led to the revision of the solid structures investigation. Additional animations were created and inserted into the module that covered areas where students indicated more help was needed. Movies of "real life" chemistry were also incorporated into the module to help students relate the investigation to prior knowledge.

Squishy Materials

NASA Astrophysics Data System (ADS)

Habdas, Piotr; Weeks, Eric R.; Lynn, David G.

2006-05-01

Most people do not realize that many substances they use in the kitchen and the bathroom are not simple liquids or solids. Everyone is familiar with three states of matter: solids, liquids, and gases. However, creams, shampoo, toothpaste, and ketchup all have properties of both liquids and solids. This paper describes demonstrations and laboratory exercises1 that show intriguing properties of squishy substances, defined as materials that are not unambiguously solid, liquid, or gas. Unlike some areas of physics, the concepts behind squishy materials are understandable even by beginning students. Squishy physics can be used to show physics questions arising from everyday life and to convey the excitement of current research.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Farrokhzadeh, Abdolkarim; Modarresi-Alam, Ali Reza, E-mail: modaresi@chem.usb.ac.ir

Poly [(±)-2-(sec-butyl) aniline]/silica-supported perchloric acid composites were synthesized by combination of poly[(±)-2-sec-butylaniline] base (PSBA) and the silica-supported perchloric acid (SSPA) as dopant solid acid in solid-state. The X-ray photoelectron spectroscopy (XPS) and CHNS results confirm nigraniline oxidation state and complete doping for composites (about 75%) and non-complete for the PSBA·HCl salt (about 49%). The conductivity of samples was (≈0.07 S/cm) in agreement with the percent of doping obtained of the XPS analysis. Also, contact resistance was determined by circular-TLM measurement. The morphology of samples by the scanning electron microscopy (SEM) and their coating were investigated by XPS, SEM-map and energy-dispersivemore » X-ray spectroscopy (EDX). The key benefits of this work are the preparation of conductive chiral composite with the delocalized polaron structure under green chemistry and solid-state condition, the improvement of the processability by inclusion of the 2-sec-butyl group and the use of dopant solid acid (SSPA) as dopant. - Highlights: • The solid-state synthesis of the novel chiral composites of poly[(±)-2-(sec-butyl)aniline] (PSBA) and silica-supported perchloric acid (SSPA). • It takes 120 h for complete deprotonation of PSBA.HCl salt. • Use of SSPA as dopant solid acid for the first time to attain the complete doping of PSBA. • The coating of silica surface with PSBA.« less

Majorana Fermions in Particle Physics, Solid State and Quantum Information

NASA Astrophysics Data System (ADS)

Borsten, L.; Duff, M. J.

This review is based on lectures given by M. J. Duff summarising the far reaching contributions of Ettore Majorana to fundamental physics, with special focus on Majorana fermions in all their guises. The theoretical discovery of the eponymous fcrmion in 1937 has since had profound implications for particlc physics, solid state and quantum computation. The breadth of these disciplines is testimony to Majorana's genius, which continues to permeate physics today. These lectures offer a whistle-stop tour through some limited subset of the key ideas. In addition to touching on these various applications, we will draw out some fascinating relations connecting the normed division algebras R, ℂ, H, O to spinors, trialities. K-theory and the classification of stable topological states of symmetry-protected gapped free-fermion systems.

Chemical origins of frictional aging.

PubMed

Liu, Yun; Szlufarska, Izabela

2012-11-02

Although the basic laws of friction are simple enough to be taught in elementary physics classes and although friction has been widely studied for centuries, in the current state of knowledge it is still not possible to predict a friction force from fundamental principles. One of the highly debated topics in this field is the origin of static friction. For most macroscopic contacts between two solids, static friction will increase logarithmically with time, a phenomenon that is referred to as aging of the interface. One known reason for the logarithmic growth of static friction is the deformation creep in plastic contacts. However, this mechanism cannot explain frictional aging observed in the absence of roughness and plasticity. Here, we discover molecular mechanisms that can lead to a logarithmic increase of friction based purely on interfacial chemistry. Predictions of our model are consistent with published experimental data on the friction of silica.

Phosphorus Enrichment as a New Composition in the Solid Electrolyte Interphase of High-Voltage Cathodes and Its Effects on Battery Cycling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan, Pengfei; Zheng, Jianming; Kuppan, Saravanan

2015-11-10

Immersion of a solid into liquid often leads to the modification of both the structure and chemistry of surface of the solid, which subsequently affects the chemical and physical properties of the system. For the case of the rechargeable lithium ion battery, such a surface modification is termed as solid electrolyte interphase (SEI) layer, which has been perceived to play critical role for the stable operation of the batteries. However, the structure and chemical composition of SEI layer and its spatial distribution and dependence on the battery operating condition remain unclear. By using aberration corrected scanning transmission electron microscopy coupledmore » with ultra-high sensitive energy dispersive x-ray spectroscopy, we probed the structure and chemistry of SEI layer on several high voltage cathodes. We show that layer-structured cathodes, when cycled at a high cut off voltage, can form a P-rich SEI layer on their surface, which is a direct evidence of Li-salt (LiPF6) decomposition. Our systematical investigations indicate such cathode/Li-salt side reaction shows strong dependence on structure of the cathode materials, operating voltage and temperature, indicating the feasibility of SEI engineering. These findings provide us valuable insights into the complex interface between the high-voltage cathode and the electrolyte.« less

New insights into the coordination chemistry of Schiff bases derived from amino acids: Planar [Ni4] complexes with tyrosine side-chains

NASA Astrophysics Data System (ADS)

Muche, Simon; Hołyńska, Małgorzata

2017-08-01

Structure and properties of a rare metal complex of the chiral Schiff base ligand derived from ortho-vanillin and L-tyrosine are presented. This study is a continuation of research on ligands containing biologically compatible moieties. The ligand is also fully characterized in form of a sodium salt, in particular in solution, for the first time. The metal complex contains a unique bowl-shaped [Ni4] core. Its structure is investigated both in solution (ESI-MS, NMR) and in solid state (X-ray diffraction studies). Under certain conditions the complex can be isolated as crystalline DMF solvate which is studied in solid state.

Influence of the anion nature and alkyl substituents in the behavior of ionic liquids derived from phenylpyridines

NASA Astrophysics Data System (ADS)

Dreyse, Paulina; Alarcón, Antonia; Galdámez, Antonio; González, Iván; Cortés-Arriagada, Diego; Castillo, Francisco; Mella, Andy

2018-02-01

Quaternary alkyl 2-phenylpyridinium and 2-(2,4-difluorophenyl)pyridinium amines with iodide, hexafluorophosphate and bis(trifluoromethylsulfonyl)imide anions have been fully characterized by 1H NMR, FT-IR and MALDI mass spectroscopic methods and studied by quantum chemistry calculations. The compounds with bis(trifluoromethylsulfonyl)imide anion can be classified as ionic liquids, because they melt at room temperature. The quaternary amines with iodide and hexafluorophosphate anions are solid at 25 °C. The X-ray diffraction characterization of the 2-(2,4-difluorophenyl)-1-methylphenylpyridinium hexafluorophosphate and 1-ethyl-2-(2,4-difluorophenyl)phenylpyridinium hexafluorophosphate show an extensive series of Csbnd H⋯F, Csbnd F⋯π and Psbnd F⋯π intermolecular interactions, which give rise to a supramolecular network. The relationship between the solid-state structures and the melting points is discussed by the evaluation of the thermal behavior based on experimental data from Differential Scanning Calorimetry (DSC) studies, and also using the analysis of the ion pairs binding energies. These new compounds based on phenylpyridine allow us to grow the diversity of ionic liquids and their crystalline salts, increasing the knowledge about the chemical and physical properties of these ionic species.

Accurate Semilocal Density Functional for Condensed-Matter Physics and Quantum Chemistry.

PubMed

Tao, Jianmin; Mo, Yuxiang

2016-08-12

Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional exchange hole presents a great challenge, due to the delocalization of the hole. Making use of the property that the hole can be made localized under a general coordinate transformation, here we derive an exchange hole from the density matrix expansion, while the correlation part is obtained by imposing the low-density limit constraint. From the hole, a semilocal exchange-correlation functional is calculated. Our comprehensive test shows that this functional can achieve remarkable accuracy for diverse properties of molecules, solids, and solid surfaces, substantially improving upon the nonempirical functionals proposed in recent years. Accurate semilocal functionals based on their associated holes are physically appealing and practically useful for developing nonlocal functionals.

Science, Engineering, and Mathematics (SEM) at the Timbuktu Academy

DTIC Science & Technology

2005-07-31

School @ CalTech (PhD Chemistry Program) Millican , Jasmine F Su02 ONR 20 Fall `02- Grad . School @ LSU for Ph .D. in Chemistry, Baton Rouge, LA Thomas...n 22 . Joshua McKinsey Stennis Space Center - Stennis Space Center, M S 23 . Jasmine Millican Louisiana State University (LAMP Program) - Baton Rouge...OH 26. Rachel Mckinsey Fr ./Physics MIT- Boston, M A 27. Jasmine Millican Jr ./Chemistry University of Illinois - Chicago, I L 28. Symoane Mizell So

LMSC PUBLISHED CONTRIBUTIONS, 1966 IMPRINTS: A CITATION BIBLIOGRAPHY,

DTIC Science & Technology

PHYSICS, BIBLIOGRAPHIES), (*AERONAUTICS, BIBLIOGRAPHIES), (*ASTRONAUTICS, BIBLIOGRAPHIES), (* MATERIALS , BIBLIOGRAPHIES), (*ELECTRONICS...BIBLIOGRAPHIES), (*ENGINEERING, BIBLIOGRAPHIES), ASTROPHYSICS, NUCLEAR PHYSICS, MECHANICS, METALLURGY, CERAMIC MATERIALS , SOLID STATE PHYSICS, INFORMATION RETRIEVAL, PROPULSION SYSTEMS, BIONICS, REPORTS

Metal-Metal Bonds and Metal Carbon Bonds in the Chemistry of Molybdenum and Tungsten Alkoxides.

DTIC Science & Technology

1983-02-07

properties. For example, the lanthanide elements and aluminum form an extensive series of isopropoxides of formula MAI3 (OPr i)12 which are volatile solids or...coordination is imposed. !E 2 RO RO RO-_ 0 1_-OR ROe MV’*’ I ’%OR RO RRO (2) The ethoxides and methoxides of titanium (+4) adopt a tetrameric structure in the...solid state, II, whereby each metal atom achieves an octahedral environment. In benzene solution, the titanium ethoxide dissoci- ates to trimers, while

Identical Collision Terms/Solutions of Kinetic Eqn. and Explanation of Damping of Waves in Plasmas and Solids Known by Different Names

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharma, S. K.

2010-11-23

In this paper we show that identical collision terms are known by different names in gaseous plasmas and solids. Method used by plasma physicists and the one used by solid state physicists to solve Kinetic equation are also exactly same but they are also known by different names. In fact the physical explanation of damping of plasma Waves given by plasma physicists is quite similar to that given by solid state physicists to explain the absorption of acoustic waves in solids.

An investigation of the impact of science course sequencing on student performance in high school science and math

NASA Astrophysics Data System (ADS)

Mary, Michael Todd

High school students in the United States for the past century have typically taken science courses in a sequence of biology followed by chemistry and concluding with physics. An alternative sequence, typically referred to as "physics first" inverts the traditional sequence by having students begin with physics and end with biology. Proponents of physics first cite advances in biological sciences that have dramatically changed the nature of high school biology and the potential benefit to student learning in math that would accompany taking an algebra-based physics course in the early years of high school to support changing the sequence. Using a quasi-experimental, quantitative research design, the purpose of this study was to investigate the impact of science course sequencing on student achievement in math and science at a school district that offered both course sequences. The Texas state end-of-course exams in biology, chemistry, physics, algebra I and geometry were used as the instruments measuring student achievement in math and science at the end of each academic year. Various statistical models were used to analyze these achievement data. The conclusion was, for students in this study, the sequence in which students took biology, chemistry, and physics had little or no impact on performance on the end-of-course assessments in each of these courses. Additionally there was only a minimal effect found with respect to math performance, leading to the conclusion that neither the traditional or "physics first" science course sequence presented an advantage for student achievement in math or science.

Towards a lattice-matching solid-state battery: synthesis of a new class of lithium-ion conductors with the spinel structure.

PubMed

Rosciano, Fabio; Pescarmona, Paolo P; Houthoofd, Kristof; Persoons, Andre; Bottke, Patrick; Wilkening, Martin

2013-04-28

Lithium ion batteries have conquered most of the portable electronics market and are now on the verge of deployment in large scale applications. To be competitive in the automotive and stationary sectors, however, they must be improved in the fields of safety and energy density (W h L(-1)). Solid-state batteries with a ceramic electrolyte offer the necessary advantages to significantly improve the current state-of-the-art technology. The major limit towards realizing a practical solid-state lithium-ion battery lies in the lack of viable ceramic ionic conductors. Only a few candidate materials are available, each carrying a difficult balance between advantages and drawbacks. Here we introduce a new class of possible solid-state lithium-ion conductors with the spinel structure. Such compounds could be coupled with spinel-type electrode materials to obtain a "lattice matching" solid device where low interfacial resistance could be achieved. Powders were prepared by wet chemistry, their structure was studied by means of diffraction techniques and magic angle spinning NMR, and Li(+) self-diffusion was estimated by static NMR line shape measurements. Profound differences in the Li(+) diffusion properties were observed depending on the composition, lithium content and cationic distribution. Local Li(+) hopping in the spinel materials is accompanied by a low activation energy of circa 0.35 eV being comparable with that of, e.g., LLZO-type garnets, which represent the current benchmark in this field. We propose these novel materials as a building block for a lattice-matching all-spinel solid-state battery with low interfacial resistance.

Opportunities for Funding at NSF

NASA Astrophysics Data System (ADS)

Kafafi, Zakya H.

2009-03-01

Materials science, inter- and multi-disciplinary in nature, provides the bridge to many areas of fundamental and applied sciences such as biology, chemistry, physics, mathematics, computer sciences, and engineering. Strong links that may exist between materials science and other disciplines, such as biology or chemistry or physics, very often lead to novel applications and enable technologies of great benefit to our society. The Division of Materials Research (DMR) invested 274.0 M in FY 2008 and is estimated to invest 324.6 M in FY 2009 funding research and education as well as enabling tools & instrumentation for individual investigators, groups, centers, and national facilities. DMR programs cover a wide spectrum of materials research and education ranging from condensed matter and materials physics, solid-state and materials chemistry, multifunctional, hybrid, electronic, photonic, metallic, ceramic, polymeric, bio-materials, composites and nanostructures to list a few. New modes of funding, research opportunities and directions, such as the recent SOLAR solicitation, will be described. This Solar Energy Initiative launched jointly by three divisions, namely Chemistry, Materials Research and Mathematical Science is aimed at supporting truly interdisciplinary efforts that address the scientific challenges of highly efficient harvesting, conversion, and storage of solar energy. The goal of this new program is to create a new modality of linking the mathematical with the chemical and materials sciences to develop transformative paradigms based on the integrated expertise and synergy from three disciplinary communities. DMR is also seeking new ways to transform materials science and education, and make it more attractive as a career for bright, young women & men. A description will be given of several workshops held this year and planned for next year with this purpose in mind. Outreach programs that emphasize how the innovations resulting from materials research lead to a better quality of life and improved economic development for people all over the world will also be given. As science is becoming increasingly global, DMR is particularly interested in preparing students to be agile thinkers in this universal environment and in forging collaborations and cooperation among scientists and engineers around the world. Free movement of knowledge without any obstacles can only be achieved through a more coordinated approach for international collaboration. Following the presentation there will be a question-and-answer period. For additional information, visit the DMR Web page at www.nsf.gov/materials

The Inorganic Illustrator: A 3-D Graphical Supplement for Inorganic and Bioinorganic Chemistry Courses Distributed on CD-ROM

NASA Astrophysics Data System (ADS)

Childs, Scott L.; Hagen, Karl S.

1996-10-01

The visualization of molecular and solid state chemical structures in three dimensions is a particularly difficult problem for students to overcome when the primary means of communication is the two-dimensional world of textbooks, blackboards, and overhead projector screens. Recent editions of popular textbooks in organic, inorganic, and biochemistry have included stereoviews of molecules to aid the student, and stereoviews of crystal structures have been used in inorganic chemistry publications for many years. These are powerful aids for visualizing complex molecules, but with the exception of the biochemistry text mentioned above, they are limited to single, static images generally in black and white. Molecular model kits are routinely used very effectively in organic chemistry but their utility in inorganic chemistry is limited to all but the most simple molecules encountered. Now that personal computers are generally accessible and multimedia tools are starting to make an appearance in chemistry lecture halls (1), we can make our inorganic and bioinorganic chemistry and crystallography lectures come alive with the aid of the computer-based resources, which are the essence of this project. As part of this project we are accumulating a database of representative crystal structures of main group molecules, coordination complexes, organometallic compounds, small metalloproteins, bioinorganic model complexes, clusters, and solid state materials in Chem3D Plus format to be viewed with Chem3D Viewer, which is free software from Cambridge Scientific Computing. We are also generating a library of high-quality graphic images of these same molecules and structures using Cerius2 package from Molecular Simulations. These include polyhedral representations of clusters and solid state structures (see Fig. 1). Figure 1. Representation of the user interface: the title page and an example of polyhedral and ball-and-stick representation of an octanuclear iron-oxo cluster. The files of solid state structures will not be limited to single unit cells that are common in textbooks, but will present multiple cells such that the extended lattice of the material is evident. Navigation through these resources is through a unique open hypertext-based interface using Authorware, which allows the user to create complex applications that support movies, animation, and other graphics seamlessly. Chem3D Viewer is a powerful program that allows not only multiple visualization modes, but also the detailed analysis of both bonded and nonbonded distances and angles. This is particularly useful for recognizing symmetry elements within molecules, as the student can precisely align atoms along the screen's Cartesian axes or within its planes and subsequently rotate the molecules about the axes at precise angles. We are developing stand-alone interactive tutorials to assign point groups to molecules and clusters. In addition, tutorials are being developed that show how the Chem3D Viewer software can be most effectively used in a classroom setting for lectures or for home or lab use by the students. The Inorganic Illustrator will be made available to the education community for the cost of materials plus shipping and handling. Acknowledgment We would like to thank the NSF for financial support through the Division of Undergraduate Education Course and Curriculum Program (DUE-CCD 9455567). Literature Cited 1. Illman, D. L. Chem. Eng. News 1994, 72(May 9), 34.

Solid State Sciences Committee Forum

DTIC Science & Technology

1992-05-01

3. REPOT TYPE AND CATES COVERED I Final Report 01 Mar 91-29 Feb 92 4. MrlLE AND SUBTITLE S. FUNOG4 NUMBERS SOLID STATE SCIENCES COMMITTEE FORUM AFOSR...lON IU2EM , Appeved kv pub~e We=% I3. ABSTRACT (MaOimum 200 wovij The 1991 SSSC Forum was conductted under the auspices of the Board on Physics and...Astronomy’s Solid State Sciences Committe (SSSC) and cosponsored with the National Materials Advisory Board (NMAB). The Forum was the culmination of a

Physics in the Twentieth Century

ERIC Educational Resources Information Center

Weisskopf, Victor F.

1970-01-01

Provides a review of the great discoveries, theoretical concepts and development of physics in the 20th century. The growth and significance of diverse fields such as quantum theory, relativity theory, atomic physics, molecular physics, the physics of the solid state, nuclear physics, astrophysics, plasma physics, and particle physics are…

Exploring Solid-State Structure and Physical Properties: A Molecular and Crystal Model Exercise

ERIC Educational Resources Information Center

Bindel, Thomas H.

2008-01-01

A crystal model laboratory exercise is presented that allows students to examine relations among the microscopic-macroscopic-symbolic levels, using crystalline mineral samples and corresponding crystal models. Students explore the relationship between solid-state structure and crystal form. Other structure-property relationships are explored. The…

PREFACE: XIX Latin American Symposium on Solid State Physics (SLAFES XIX)

NASA Astrophysics Data System (ADS)

Serquis, Adriana; Balseiro, Carlos; Bolcatto, Pablo

2009-07-01

This volume contains selected papers which have been presented at the XIX Latin American Symposium on Solid State Physics (SLAFES XIX) held at Puerto Iguazú, Argentina, from 5--10 October 2008. The conference, covering all areas of Solid State Physics, is one of the most important and traditional meetings in Physics in our region. The Latin American Symposium on Solid State Physics is a forum where researchers and students from Latin America as well as leading scientists from other parts of the world get together to exchange information, strengthen collaborations and identify new challenges in Solid State Physics. This successful series of meetings has been organised in eight different countries, the last three held in Mérida, Venezuela (2002), La Habana, Cuba (2004) and Puebla, México (2006). Following the trends of previous events, SLAFES XIX included seven plenary talks, eighteen invited talks and contributions, and 28 oral and 255 poster presentations, covering mostly the latest experimental and theoretical advances in Nanophysics, Nanomaterials and Nanotechnology, Spintronics, Magnetism, New Materials, Superconductivity, Surfaces and Interfaces, Low-Dimensional Systems, Materials Preparation and Characterization, Theory and Computing Simulations of Materials among other topics. The group of scientists participating had come from Argentina, Chile, Colombia, Cuba, Brazil, France, Spain, Switzerland and the USA We are indebted to all participants for their enthusiasm and contributions and to the members of the International Advisory Commitees. We also wish to thank to the rest of the Organizing Committee: Gustavo Lozano, Ana María Llois, Laura Steren and Edith Goldberg and very specially to Javier Schmidt, Gustavo Ruano, Marcelo Romero, Lucila Cristina and Juan Carlos Moreno for their invaluable assistance during the event. Finally we gratefully aknowledge the financial support the Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Argentina, Agencia Nacional de Promoción Científica y Tecnológica (ANPCyT), Argentina, Secretaría de Estado de Ciencia, Tecnología e Innovación, Provincia de Santa Fe, Argentina, Centro Latinoamericano de Física (CLAF), Universidad Nacional del Litoral, Santa Fe, Argentina, Institute of Physics (IOP) Publishing, The European Physical Journal (EPJ), EDP Science, Societa Italiana di Fisica and Springer. Adriana Serquis, Carlos Balseiro and Pablo Bolcatto

Transire, a Program for Generating Solid-State Interface Structures

DTIC Science & Technology

2017-09-14

function-based electron transport property calculator. Three test cases are presented to demonstrate the usage of Transire: the misorientation of the...graphene bilayer, the interface energy as a function of misorientation of copper grain boundaries, and electron transport transmission across the...gallium nitride/silicon carbide interface. 15. SUBJECT TERMS crystalline interface, electron transport, python, computational chemistry, grain boundary

Cycles for Science: Biology Curriculum Supplement for Grades 9-12. A Steel Cycles Program.

ERIC Educational Resources Information Center

Rogers, Diana; Laymon, Carol

This document contains project-oriented lessons and hands-on activities developed to integrate steel recycling, natural resource conservation, and solid waster management into science learning. It is designed to assist secondary teachers and students (grades 9-12) in meeting state and local goals for learning in biology, chemistry, general science…

What's on the Surface? Physics and Chemistry of Delta-Doped Surfaces

NASA Technical Reports Server (NTRS)

Hoenk, Michael

2011-01-01

Outline of presentation: 1. Detector surfaces and the problem of stability 2. Delta-doped detectors 3. Physics of Delta-doped Silicon 4. Chemistry of the Si-SiO2 Interface 5. Physics and Chemistry of Delta-doped Surfaces a. Compensation b. Inversion c. Quantum exclusion. Conclusions: 1. Quantum confinement of electrons and holes dominates the behavior of delta-doped surfaces. 2. Stability of delta-doped detectors: Delta-layer creates an approx 1 eV tunnel barrier between bulk and surface. 3. At high surface charge densities, Tamm-Shockley states form at the surface. 4. Surface passivation by quantum exclusion: Near-surface delta-layer suppresses T-S trapping of minority carriers. 5. The Si-SiO2 interface compensates the surface 6. For delta-layers at intermediate depth, surface inversion layer forms 7. Density of Si-SiO2 interface charge can be extremely high (>10(exp 14)/sq cm)

Nearly ferromagnetic Fermi-liquid behaviour in YFe2Zn20 and high-temperature ferromagnetism of GdFe2Zn20

NASA Astrophysics Data System (ADS)

Jia, S.; Bud'Ko, S. L.; Samolyuk, G. D.; Canfield, P. C.

2007-05-01

One of the historic goals of alchemy was to turn base elements into precious ones. Although the practice of alchemy has been superseded by chemistry and solid-state physics, the desire to dramatically change or tune the properties of a compound, preferably through small changes in stoichiometry or composition, remains. This desire becomes even more compelling for compounds that can be tuned to extremes in behaviour. Here, we report that the RT2Zn20 (R=rare earth and T=transition metal) family of compounds manifests exactly this type of versatility, even though they are more than 85% Zn. By tuning T, we find that YFe2Zn20 is closer to ferromagnetism than elemental Pd, the classic example of a nearly ferromagnetic Fermi liquid. By submerging Gd in this highly polarizable Fermi liquid, we tune the system to a remarkably high-temperature ferromagnetic (TC=86K) state for a compound with less than 5% Gd. Although this is not quite turning lead into gold, it is essentially tuning Zn to become a variety of model compounds.

EDITORIAL: Richard Palmer: celebrating 37 years with Journal of Physics: Condensed Matter Richard Palmer: celebrating 37 years with Journal of Physics: Condensed Matter

NASA Astrophysics Data System (ADS)

Ferry, David

2009-01-01

It is with a great deal of both happiness and sadness that I have to announce that we are losing one of the real strengths of the Journal of Physics: Condensed Matter (JPCM). Dr Richard Palmer, our Senior Publisher, announced his retirement, and this issue marks the first without his involvement. Of course, we are happy that he will get to enjoy his retirement, but we are sad to lose such a valuable member of our team. Richard first started work at IOP Publishing in March 1971 as an Editorial Assistant with Journal of Physics B: Atomic and Molecular Physics. After a few months, he transferred to Journal of Physics C: Solid State Physics. During his first year, he was sent on a residential publishing training course and asked to sign an undertaking to stay at IOP Publishing for at least two years. Although Richard refused to sign, as he did not want to commit himself, he has remained with the journal since then. The following year, the Assistant Editor of Journal of Physics C: Solid State Physics, Malcolm Haines, walked out without notice in order to work on his family vineyard in France, and Richard stepped into the breach. In those days, external editors had a much more hands-on role in IOP Publishing and he had to travel to Harwell to be interviewed by Alan Lidiard, the Honorary Editor of Journal of Physics C: Solid State Physics, before being given the job of Assistant Editor permanently. I am told that in those days the job consisted mainly of editing and proofreading and peer review. There was no journal development work. At some point in the early 1980s, production and peer review were split into separate departments and Richard then headed a group of journals consisting of Journal of Physics C: Solid State Physics, Journal of Physics D: Applied Physics and Journal of Physics F: Metal Physics, Semiconductor Science and Technology, Superconductor Science and Technology, Plasma Physics and Controlled Fusion, and later Nanotechnology and Modelling and Simulation in Materials Science and Engineering. Under the new structure, journal development became an increasingly important part of his job. At about the same time, Richard was also asked to take over running Reports on Progress in Physics, which up to then had been done by the head of the IOP Journals Department, Kurt Paulus. In 1989, Journal of Physics C: Solid State Physics and Journal of Physics F: Metal Physics remerged to form JPCM. Since then, Richard has gradually shed his other journal responsibilities, except for Reports on Progress in Physics, to build up JPCM. He has worked closely with four Editors-in-Chief of Journal of Physics C: Solid State Physics, five of JPCM, five of Reports on Progress in Physics and about ten of other journals, and attended approximately 300 Editorial Board meetings. I should say that he has made my own tenure at Editor-in-Chief an easy task to learn and take on, and has been a major guiding light in the development of the journal. In 2006, Richard was honoured by the award of a Member of the British Empire (MBE) for services to science publishing. Those of us on the board were particularly pleased about this, as one is not always recognized for the effort they expend, and this award was certainly due for Richard. We are going to miss Richard a great deal, but are happy that he will remain on a part time basis to help our new Publisher, Dr Lucy Smith, and the rest of us through the transition. His retirement leaves us with a huge hole that we will have to work extremely hard to fill. Speaking for the various boards, and especially the executive board, I want to wish Richard the very best in his retirement.

Visualising crystal packing interactions in solid-state NMR: Concepts and applications

NASA Astrophysics Data System (ADS)

Zilka, Miri; Sturniolo, Simone; Brown, Steven P.; Yates, Jonathan R.

2017-10-01

In this article, we introduce and apply a methodology, based on density functional theory and the gauge-including projector augmented wave approach, to explore the effects of packing interactions on solid-state nuclear magnetic resonance (NMR) parameters. A visual map derived from a so-termed "magnetic shielding contribution field" can be made of the contributions to the magnetic shielding of a specific site—partitioning the chemical shift to specific interactions. The relation to the established approaches of examining the molecule to crystal change in the chemical shift and the nuclear independent chemical shift is established. The results are applied to a large sample of 71 molecular crystals and three further specific examples from supermolecular chemistry and pharmaceuticals. This approach extends the NMR crystallography toolkit and provides insight into the development of both cluster based approaches to the predictions of chemical shifts and for empirical predictions of chemical shifts in solids.

Design and synthesis of the superionic conductor Na10SnP2S12

NASA Astrophysics Data System (ADS)

Richards, William D.; Tsujimura, Tomoyuki; Miara, Lincoln J.; Wang, Yan; Kim, Jae Chul; Ong, Shyue Ping; Uechi, Ichiro; Suzuki, Naoki; Ceder, Gerbrand

2016-03-01

Sodium-ion batteries are emerging as candidates for large-scale energy storage due to their low cost and the wide variety of cathode materials available. As battery size and adoption in critical applications increases, safety concerns are resurfacing due to the inherent flammability of organic electrolytes currently in use in both lithium and sodium battery chemistries. Development of solid-state batteries with ionic electrolytes eliminates this concern, while also allowing novel device architectures and potentially improving cycle life. Here we report the computation-assisted discovery and synthesis of a high-performance solid-state electrolyte material: Na10SnP2S12, with room temperature ionic conductivity of 0.4 mS cm-1 rivalling the conductivity of the best sodium sulfide solid electrolytes to date. We also computationally investigate the variants of this compound where tin is substituted by germanium or silicon and find that the latter may achieve even higher conductivity.

Design and synthesis of the superionic conductor Na10SnP2S12.

PubMed

Richards, William D; Tsujimura, Tomoyuki; Miara, Lincoln J; Wang, Yan; Kim, Jae Chul; Ong, Shyue Ping; Uechi, Ichiro; Suzuki, Naoki; Ceder, Gerbrand

2016-03-17

Sodium-ion batteries are emerging as candidates for large-scale energy storage due to their low cost and the wide variety of cathode materials available. As battery size and adoption in critical applications increases, safety concerns are resurfacing due to the inherent flammability of organic electrolytes currently in use in both lithium and sodium battery chemistries. Development of solid-state batteries with ionic electrolytes eliminates this concern, while also allowing novel device architectures and potentially improving cycle life. Here we report the computation-assisted discovery and synthesis of a high-performance solid-state electrolyte material: Na10SnP2S12, with room temperature ionic conductivity of 0.4 mS cm(-1) rivalling the conductivity of the best sodium sulfide solid electrolytes to date. We also computationally investigate the variants of this compound where tin is substituted by germanium or silicon and find that the latter may achieve even higher conductivity.

Bose-Einstein Condensates in 1D Optical Lattices: Nonlinearity and Wannier-Stark Spectra

NASA Astrophysics Data System (ADS)

Arimondo, Ennio; Ciampini, Donatella; Morsch, Oliver

The development of powerful laser cooling and trapping techniques has made possible the controlled realization of dense and cold gaseous samples, thus opening the way for investigations in the ultracold temperature regimes not accessible with conventional techniques. A Bose-Einstein condensate (BEC) represents a peculiar gaseous state where all the particles reside in the same quantum mechanical state. Therefore BECs exhibit quantum mechanical phe-nomena on a macroscopic scale with a single quantum mechanical wavefunction describing the external degrees of freedom. That control of the external degrees of freedom is combined with a precise control of the internal degrees. The BEC investigation has become a very active area of research in contem-porary physics. The BEC study encompasses different subfields of physics, i.e., atomic and molecular physics, quantum optics, laser spectroscopy, solid state physics. Atomic physics and laser spectroscopy provide the methods for creating and manipulating the atomic and molecular BECs. However owing to the interactions between the particles composing the condensate and to the configuration of the external potential, concepts and methods from solid state physics are extensively used for BEC description.

Global distribution of particle phase state in atmospheric secondary organic aerosols

NASA Astrophysics Data System (ADS)

Shiraiwa, Manabu; Li, Ying; Tsimpidi, Alexandra P.; Karydis, Vlassis A.; Berkemeier, Thomas; Pandis, Spyros N.; Lelieveld, Jos; Koop, Thomas; Pöschl, Ulrich

2017-04-01

Secondary organic aerosols (SOA) are a large source of uncertainty in our current understanding of climate change and air pollution. The phase state of SOA is important for quantifying their effects on climate and air quality, but its global distribution is poorly characterized. We developed a method to estimate glass transition temperatures based on the molar mass and molecular O:C ratio of SOA components, and we used the global chemistry climate model EMAC with the organic aerosol module ORACLE to predict the phase state of atmospheric SOA. For the planetary boundary layer, global simulations indicate that SOA are mostly liquid in tropical and polar air with high relative humidity, semi-solid in the mid-latitudes and solid over dry lands. We find that in the middle and upper troposphere SOA should be mostly in a glassy solid phase state. Thus, slow diffusion of water, oxidants and organic molecules could kinetically limit gas-particle interactions of SOA in the free and upper troposphere, promote ice nucleation and facilitate long-range transport of reactive and toxic organic pollutants embedded in SOA.

Global distribution of particle phase state in atmospheric secondary organic aerosols.

PubMed

Shiraiwa, Manabu; Li, Ying; Tsimpidi, Alexandra P; Karydis, Vlassis A; Berkemeier, Thomas; Pandis, Spyros N; Lelieveld, Jos; Koop, Thomas; Pöschl, Ulrich

2017-04-21

Secondary organic aerosols (SOA) are a large source of uncertainty in our current understanding of climate change and air pollution. The phase state of SOA is important for quantifying their effects on climate and air quality, but its global distribution is poorly characterized. We developed a method to estimate glass transition temperatures based on the molar mass and molecular O:C ratio of SOA components, and we used the global chemistry climate model EMAC with the organic aerosol module ORACLE to predict the phase state of atmospheric SOA. For the planetary boundary layer, global simulations indicate that SOA are mostly liquid in tropical and polar air with high relative humidity, semi-solid in the mid-latitudes and solid over dry lands. We find that in the middle and upper troposphere SOA should be mostly in a glassy solid phase state. Thus, slow diffusion of water, oxidants and organic molecules could kinetically limit gas-particle interactions of SOA in the free and upper troposphere, promote ice nucleation and facilitate long-range transport of reactive and toxic organic pollutants embedded in SOA.

Global distribution of particle phase state in atmospheric secondary organic aerosols

PubMed Central

Shiraiwa, Manabu; Li, Ying; Tsimpidi, Alexandra P.; Karydis, Vlassis A.; Berkemeier, Thomas; Pandis, Spyros N.; Lelieveld, Jos; Koop, Thomas; Pöschl, Ulrich

2017-01-01

Secondary organic aerosols (SOA) are a large source of uncertainty in our current understanding of climate change and air pollution. The phase state of SOA is important for quantifying their effects on climate and air quality, but its global distribution is poorly characterized. We developed a method to estimate glass transition temperatures based on the molar mass and molecular O:C ratio of SOA components, and we used the global chemistry climate model EMAC with the organic aerosol module ORACLE to predict the phase state of atmospheric SOA. For the planetary boundary layer, global simulations indicate that SOA are mostly liquid in tropical and polar air with high relative humidity, semi-solid in the mid-latitudes and solid over dry lands. We find that in the middle and upper troposphere SOA should be mostly in a glassy solid phase state. Thus, slow diffusion of water, oxidants and organic molecules could kinetically limit gas–particle interactions of SOA in the free and upper troposphere, promote ice nucleation and facilitate long-range transport of reactive and toxic organic pollutants embedded in SOA. PMID:28429776

Physics: A Career for You?

ERIC Educational Resources Information Center

American Inst. of Physics, New York, NY.

Information is provided for students who may be interested in pursuing a career in physics. This information includes the type of work done and areas studied by physicists in the following areas: nuclear physics, solid-state physics, elementary-particle physics, atomic/molecular/electron physics, fluid/plasma physics, space/planetary physics,…

Physical structure changes of solid medium by steam explosion sterilization.

PubMed

Zhao, Zhi-Min; Wang, Lan; Chen, Hong-Zhang

2016-03-01

Physical structure changes of solid medium were investigated to reveal effects of steam explosion sterilization on solid-state fermentation (SSF). Results indicated that steam explosion changed the structure of solid medium at both molecular and three-dimensional structural levels, which exposed hydrophilic groups and enlarged pores and cavities. It was interesting to find that pores where capillary water located were the active sites for SSF, due to the close relationship among capillary water relaxation time, specific surface area and fermentation performance. Therefore, steam explosion sterilization increased the effective contact area for microbial cells on solid medium, which contributed to improving SSF performance. Combined with the previous research, mechanisms of SSF improvement by steam explosion sterilization contained both chemical and physical effects. Copyright © 2015 Elsevier Ltd. All rights reserved.

Carbon solids in oxygen-deficient explosives (LA-UR-13-21151)

NASA Astrophysics Data System (ADS)

Peery, Travis

2013-06-01

The phase behavior of excess carbon in oxygen-deficient explosives has a significant effect on detonation properties and product equations of state. Mixtures of fuel oil in ammonium nitrate (ANFO) above a stoichiometric ratio demonstrate that even small amounts of graphite, on the order of 5% by mole fraction, can substantially alter the Chapman-Jouget (CJ) state properties, a central ingredient in modeling the products equation of state. Similar effects can be seen for Composition B, which borders the carbon phase boundary between graphite and diamond. Nano-diamond formation adds complexity to the product modeling because of surface adsorption effects. I will discuss these carbon phase issues in our equation of state modeling of detonation products, including our statistical mechanics description of carbon clustering and surface chemistry to properly treat solid carbon formation. This work is supported by the Advanced Simulation and Computing Program, under the NNSA.

Selected chapters from general chemistry in physics teaching with the help of e - learning

NASA Astrophysics Data System (ADS)

Feszterová, Melánia

2017-01-01

Education in the field of natural disciplines - Mathematics, Physics, Chemistry, Ecology and Biology takes part in general education at all schools on the territory of Slovakia. Its aim is to reach the state of balanced development of all personal characteristics of pupils, to teach them correctly identify and analyse problems, propose solutions and above all how to solve the problem itself. High quality education can be reached only through the pedagogues who have a good expertise knowledge, practical experience and high level of pedagogical abilities. The teacher as a disseminator of natural-scientific knowledge should be not only well-informed about modern tendencies in the field, but he/she also should actively participate in project tasks This is the reason why students of 1st year of study (bachelor degree) at the Department of Physics of Constantine the Philosopher University in Nitra attend lectures in the frame of subject General Chemistry. In this paper we present and describe an e - learning course called General Chemistry that is freely accessible to students. One of the aims of this course is to attract attention towards the importance of cross-curricular approach which seems to be fundamental in contemporary natural-scientific education (e.g. between Physics and Chemistry). This is why it is so important to implement a set of new topics and tasks that support development of abilities to realise cross-curricular goals into the process of preparation of future teachers of Physics.

Planetary geology in the 1980s

NASA Technical Reports Server (NTRS)

Veverka, J.

1984-01-01

The geologic aspects of solar system studies are defined and the goals of planetary geology are discussed. Planetary geology is the study of the origin, evolution, and distribution of matter condensed in the form of planets, satellites, asteroids, and comets. It is a multidisciplinary effort involving investigators with backgrounds in geology, chemistry, physics, astronomy, geodesy, cartography, and other disciplines concerned with the solid planets. The report is primarily restricted to the kinds of experiments and observations made through unmanned missions.

Response Mechanism: Blast/Fire Interactions.

DTIC Science & Technology

1983-11-01

A WORK UNIT NUMBERS University of Notre Dame Notre Dame, IN L FEMA WU No. 2564H ItI. CONTROLLING OFFICE NAME AND ADDRESS 12. REPORT DATE Fedqral...Fires 9 Class A Fires 10 Control by Physics or Chemistry? 11 Conments 14 EXTINCTION AND IGNITION 15 Pool Fire 15 Analysis 17 Charring Solid Fire 21...post-explosion time, although its magnitude may make the efforts to control appear futile in the wake of a nuclear attack. There is considerable

Magnetic coupling between liquid 3He and a solid state substrate: a new approach

NASA Astrophysics Data System (ADS)

Klochkov, Alexander V.; Naletov, Vladimir V.; Tayurskii, Dmitrii A.; Tagirov, Murat S.; Suzuki, Haruhiko

2000-07-01

We suggest a new approach for solving the long-standing problem of a magnetic coupling between liquid 3He and a solid state substrate at temperatures above the Fermi temperature. The approach is based on our previous careful investigations of the physical state of a solid substrate by means of several experimental methods (EPR, NMR, conductometry, and magnetization measurements). The developed approach allows, first, to get more detailed information about the magnetic coupling phenomenon by varying the repetition time in pulse NMR investigations of liquid 3He in contact with the solid state substrate and, second, to compare the obtained dependences and the data of NMR-cryoporometry and AFM-microscopy.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tao, Franklin

Two main categories of heterogeneous catalysts are metal and metal oxide which catalyze 80% chemical reactions at solid-gas and solid-liquid interfaces. Metal oxide catalysts are much more complicated than metal catalysts. The reason is that the cations of the metal atoms could exhibit a few different oxidation states on surface of the same catalyst particle such as Co 3O 4 or change of their oxidation states under different reactive environments. For a metal catalyst, there is only one oxidation state typically. In addition, surface of a metal oxide can be terminated with multiple surface functionalities including O atoms with differentmore » binding configurations and OH group. For metal, only metal atoms are exposed typically. Obviously, the complication of surface chemistry and structure of a metal oxide makes studies of surface of an oxide catalyst very challenging. Due to the complication of surface of a meal oxide, the electronic and geometric structures of surface of a metal oxide and the exposed species have received enormous attention since oxide catalysts catalyze at least 1/3 chemical reactions in chemical and energy industries. Understanding of catalytic reactions on early transition metal oxide-based catalysts is fundamentally intriguing and of great practical interest in energy- and environment-related catalysis. Exploration of surface chemistry of oxide-based catalysts at molecular level during catalysis has remained challenging though it is critical in deeply understanding catalysis on oxide-based catalysts and developing oxide-based catalysts with high activity and selectivity. Thus, the overall objective of this project is to explore surface chemistry and structure of early transition metal oxide-based catalysts through in-situ characterization of surface of catalysts, measurements of catalytic performances, and then build an intrinsic correlation of surface chemistry and structure with their catalytic performances in a few important catalytic reactions, and essentially fundamentally understand catalytic mechanism. Furthermore, this correlation will guide the design of catalysts with high activity and selectivity.« less

Testing grain-surface chemistry in massive hot-core regions

NASA Astrophysics Data System (ADS)

Bisschop, S. E.; Jørgensen, J. K.; van Dishoeck, E. F.; de Wachter, E. B. M.

2007-04-01

Aims:We study the chemical origin of a set of complex organic molecules thought to be produced by grain surface chemistry in high mass young stellar objects (YSOs). Methods: A partial submillimeter line-survey was performed toward 7 high-mass YSOs aimed at detecting H2CO, CH3OH, CH2CO, CH3CHO, C2H5OH, HCOOH, HNCO and NH2CHO. In addition, lines of CH3CN, C2H5CN, CH3CCH, HCOOCH3, and CH3OCH3 were observed. Rotation temperatures and beam-averaged column densities are determined. To correct for beam dilution and determine abundances for hot gas, the radius and H2 column densities of gas at temperatures >100 K are computed using 850 μm dust continuum data and source luminosity. Results: Based on their rotation diagrams, molecules can be classified as either cold (<100 K) or hot (>100 K). This implies that complex organics are present in at least two distinct regions. Furthermore, the abundances of the hot oxygen-bearing species are correlated, as are those of HNCO and NH2CHO. This is suggestive of chemical relationships within, but not between, those two groups of molecules. Conclusions: .The most likely explanation for the observed correlations of the various hot molecules is that they are "first generation" species that originate from solid-state chemistry. This includes H2CO, CH3OH, C2H5OH, HCOOCH3, CH3OCH3, HNCO, NH2CHO, and possibly CH3CN, and C2H5CN. The correlations between sources implies very similar conditions during their formation or very similar doses of energetic processing. Cold species such as CH2CO, CH3CHO, and HCOOH, some of which are seen as ices along the same lines of sight, are probably formed in the solid state as well, but appear to be destroyed at higher temperatures. A low level of non-thermal desorption by cosmic rays can explain their low rotation temperatures and relatively low abundances in the gas phase compared to the solid state. The CH3CCH abundances can be fully explained by low temperature gas phase chemistry. No cold N-containing molecules are found. Appendices are only available in electronic form at http://www.aanda.org

Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes.

PubMed

Stevens, Joanna S; Byard, Stephen J; Seaton, Colin C; Sadiq, Ghazala; Davey, Roger J; Schroeder, Sven L M

2014-01-21

The properties of nitrogen centres acting either as hydrogen-bond or Brønsted acceptors in solid molecular acid-base complexes have been probed by N 1s X-ray photoelectron spectroscopy (XPS) as well as (15)N solid-state nuclear magnetic resonance (ssNMR) spectroscopy and are interpreted with reference to local crystallographic structure information provided by X-ray diffraction (XRD). We have previously shown that the strong chemical shift of the N 1s binding energy associated with the protonation of nitrogen centres unequivocally distinguishes protonated (salt) from hydrogen-bonded (co-crystal) nitrogen species. This result is further supported by significant ssNMR shifts to low frequency, which occur with proton transfer from the acid to the base component. Generally, only minor chemical shifts occur upon co-crystal formation, unless a strong hydrogen bond is formed. CASTEP density functional theory (DFT) calculations of (15)N ssNMR isotropic chemical shifts correlate well with the experimental data, confirming that computational predictions of H-bond strengths and associated ssNMR chemical shifts allow the identification of salt and co-crystal structures (NMR crystallography). The excellent agreement between the conclusions drawn by XPS and the combined CASTEP/ssNMR investigations opens up a reliable avenue for local structure characterization in molecular systems even in the absence of crystal structure information, for example for non-crystalline or amorphous matter. The range of 17 different systems investigated in this study demonstrates the generic nature of this approach, which will be applicable to many other molecular materials in organic, physical, and materials chemistry.

Properties of iron under core conditions

NASA Astrophysics Data System (ADS)

Brown, J. M.

2003-04-01

Underlying an understanding of the geodynamo and evolution of the core is knowledge of the physical and chemical properties of iron and iron mixtures under high pressure and temperature conditions. Key properties include the viscosity of the fluid outer core, thermal diffusivity, equations-of-state, elastic properties of solid phases, and phase equilibria for iron and iron-dominated mixtures. As is expected for work that continues to tax technological and intellectual limits, controversy has followed both experimental and theoretical progress in this field. However, estimates for the melting temperature of the inner core show convergence and the equation-of-state for iron as determined in independent experiments and theories are in remarkable accord. Furthermore, although the structure and elastic properties of the solid inner-core phase remains uncertain, theoretical and experimental underpinnings are better understood and substantial progress is likely in the near future. This talk will focus on an identification of properties that are reasonably well known and those that merit further detailed study. In particular, both theoretical and experimental (static and shock wave) determinations of the density of iron under extreme conditions are in agreement at the 1% or better level. The behavior of the Gruneisen parameter (which determines the geothermal gradient and controls much of the outer core heat flux) is constrained by experiment and theory under core conditions for both solid and liquid phases. Recent experiments and theory are suggestive of structure or structures other than the high-pressure hexagonal close-packed (HCP) phase. Various theories and experiments for the elasticity of HCP iron remain in poor accord. Uncontroversial constraints on core chemistry will likely never be possible. However, reasonable bounds are possible on the basis of seismic profiles, geochemical arguments, and determinations of sound velocities and densities at high pressure and temperature.

Research in bioanalysis and separations at the University of Nebraska - Lincoln.

PubMed

Hage, David S; Dodds, Eric D; Du, Liangcheng; Powers, Robert

2011-05-01

The Chemistry Department at the University of Nebraska - Lincoln (UNL) is located in Hamilton Hall on the main campus of UNL in Lincoln, NE, USA. This department houses the primary graduate and research program in chemistry in the state of Nebraska. This program includes the traditional fields of analytical chemistry, biochemistry, inorganic chemistry, organic chemistry and physical chemistry. However, this program also contains a great deal of multidisciplinary research in fields that range from bioanalytical and biophysical chemistry to nanomaterials, energy research, catalysis and computational chemistry. Current research in bioanalytical and biophysical chemistry at UNL includes work with separation methods such as HPLC and CE, as well as with techniques such as MS and LC-MS, NMR spectroscopy, electrochemical biosensors, scanning probe microscopy and laser spectroscopy. This article will discuss several of these areas, with an emphasis being placed on research in bioanalytical separations, binding assays and related fields.

Sterilization Resistance of Bacterial Spores Explained with Water Chemistry.

PubMed

Friedline, Anthony W; Zachariah, Malcolm M; Middaugh, Amy N; Garimella, Ravindranath; Vaishampayan, Parag A; Rice, Charles V

2015-11-05

Bacterial spores can survive for long periods without nutrients and in harsh environmental conditions. This survival is influenced by the structure of the spore, the presence of protective compounds, and water retention. These compounds, and the physical state of water in particular, allow some species of bacterial spores to survive sterilization schemes with hydrogen peroxide and UV light. The chemical nature of the spore core and its water has been a subject of some contention and the chemical environment of the water impacts resistance paradigms. Either the spore has a glassy core, where water is immobilized along with other core components, or the core is gel-like with mobile water diffusion. These properties affect the movement of peroxide and radical species, and hence resistance. Deuterium solid-state NMR experiments are useful for examining the nature of the water inside the spore. Previous work in our lab with spores of Bacillus subtilis indicate that, for spores, the core water is in a more immobilized state than expected for the gel-like core theory, suggesting a glassy core environment. Here, we report deuterium solid-state NMR observations of the water within UV- and peroxide-resistant spores from Bacillus pumilus SAFR-032. Variable-temperature NMR experiments indicate no change in the line shape after heating to 50 °C, but an overall decrease in signal after heating to 100 °C. These results show glass-like core dynamics within B. pumilus SAFR-032 that may be the potential source of its known UV-resistance properties. The observed NMR traits can be attributed to the presence of an exosporium containing additional labile deuterons that can aid in the deactivation of sterilizing agents.

Method and apparatus for acoustic plate mode liquid-solid phase transition detection

DOEpatents

Blair, Dianna S.; Freye, Gregory C.; Hughes, Robert C.; Martin, Stephen J.; Ricco, Antonio J.

1993-01-01

A method and apparatus for sensing a liquid-solid phase transition event is provided which comprises an acoustic plate mode detecting element placed in contact with a liquid or solid material which generates a high-frequency acoustic wave that is attenuated to an extent based on the physical state of the material is contact with the detecting element. The attenuation caused by the material in contact with the acoustic plate mode detecting element is used to determine the physical state of the material being detected. The method and device are particularly suited for detecting conditions such as the icing and deicing of wings of an aircraft. In another aspect of the present invention, a method is provided wherein the adhesion of a solid material to the detecting element can be measured using the apparatus of the invention.

Thermoacoustics of solids: A pathway to solid state engines and refrigerators

NASA Astrophysics Data System (ADS)

Hao, Haitian; Scalo, Carlo; Sen, Mihir; Semperlotti, Fabio

2018-01-01

Thermoacoustic oscillations have been one of the most exciting discoveries of the physics of fluids in the 19th century. Since its inception, scientists have formulated a comprehensive theoretical explanation of the basic phenomenon which has later found several practical applications to engineering devices. To date, all studies have concentrated on the thermoacoustics of fluid media where this fascinating mechanism was exclusively believed to exist. Our study shows theoretical and numerical evidence of the existence of thermoacoustic instabilities in solid media. Although the underlying physical mechanism exhibits some interesting similarities with its counterpart in fluids, the theoretical framework highlights relevant differences that have important implications on the ability to trigger and sustain the thermoacoustic response. This mechanism could pave the way to the development of highly robust and reliable solid-state thermoacoustic engines and refrigerators.

Thermodynamics of high temperature, Mie-Gruneisen solids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lemons, Don S.; Lund, Carl M.

1999-12-01

We construct a set of equations of state for condensed matter at temperatures well above the Debye temperature. These equations incorporate the Mie-Gruneisen equation of state and generic properties of high temperature solids. They are simple enough to provide an alternative to the ideal gas and the van der Waals equations of state for illustrating thermodynamic concepts. (c) 1999 American Association of Physics Teachers.

Advances in design and modeling of porous materials

NASA Astrophysics Data System (ADS)

Ayral, André; Calas-Etienne, Sylvie; Coasne, Benoit; Deratani, André; Evstratov, Alexis; Galarneau, Anne; Grande, Daniel; Hureau, Matthieu; Jobic, Hervé; Morlay, Catherine; Parmentier, Julien; Prelot, Bénédicte; Rossignol, Sylvie; Simon-Masseron, Angélique; Thibault-Starzyk, Frédéric

2015-07-01

This special issue of the European Physical Journal Special Topics is dedicated to selected papers from the symposium "High surface area porous and granular materials" organized in the frame of the conference "Matériaux 2014", held on November 24-28, 2014 in Montpellier, France. Porous materials and granular materials gather a wide variety of heterogeneous, isotropic or anisotropic media made of inorganic, organic or hybrid solid skeletons, with open or closed porosity, and pore sizes ranging from the centimeter scale to the sub-nanometer scale. Their technological and industrial applications cover numerous areas from building and civil engineering to microelectronics, including also metallurgy, chemistry, health, waste water and gas effluent treatment. Many emerging processes related to environmental protection and sustainable development also rely on this class of materials. Their functional properties are related to specific transfer mechanisms (matter, heat, radiation, electrical charge), to pore surface chemistry (exchange, adsorption, heterogeneous catalysis) and to retention inside confined volumes (storage, separation, exchange, controlled release). The development of innovative synthesis, shaping, characterization and modeling approaches enables the design of advanced materials with enhanced functional performance. The papers collected in this special issue offer a good overview of the state-of-the-art and science of these complex media. We would like to thank all the speakers and participants for their contribution to the success of the symposium. We also express our gratitude to the organization committee of "Matériaux 2014". We finally thank the reviewers and the staff of the European Physical Journal Special Topics who made the publication of this special issue possible.

Visual Representations on High School Biology, Chemistry, Earth Science, and Physics Assessments

ERIC Educational Resources Information Center

LaDue, Nicole D.; Libarkin, Julie C.; Thomas, Stephen R.

2015-01-01

The pervasive use of visual representations in textbooks, curricula, and assessments underscores their importance in K-12 science education. For example, visual representations figure prominently in the recent publication of the Next Generation Science Standards (NGSS Lead States in Next generation science standards: for states, by states.…

High precision optical spectroscopy and quantum state selected photodissociation of ultracold 88Sr2 molecules in an optical lattice

NASA Astrophysics Data System (ADS)

McDonald, Mickey

2017-04-01

Over the past several decades, rapid progress has been made toward the accurate characterization and control of atoms, epitomized by the ever-increasing accuracy and precision of optical atomic lattice clocks. Extending this progress to molecules will have exciting implications for chemistry, condensed matter physics, and precision tests of physics beyond the Standard Model. My thesis describes work performed over the past six years to establish the state of the art in manipulation and quantum control of ultracold molecules. We describe a thorough set of measurements characterizing the rovibrational structure of weakly bound 88Sr2 molecules from several different perspectives, including determinations of binding energies; linear, quadratic, and higher order Zeeman shifts; transition strengths between bound states; and lifetimes of narrow subradiant states. Finally, we discuss measurements of photofragment angular distributions produced by photodissociation of molecules in single quantum states, leading to an exploration of quantum-state-resolved ultracold chemistry. The images of exploding photofragments produced in these studies exhibit dramatic interference effects and strongly violate semiclassical predictions, instead requiring a fully quantum mechanical description.

Physical principles and current status of emerging non-volatile solid state memories

NASA Astrophysics Data System (ADS)

Wang, L.; Yang, C.-H.; Wen, J.

2015-07-01

Today the influence of non-volatile solid-state memories on persons' lives has become more prominent because of their non-volatility, low data latency, and high robustness. As a pioneering technology that is representative of non-volatile solidstate memories, flash memory has recently seen widespread application in many areas ranging from electronic appliances, such as cell phones and digital cameras, to external storage devices such as universal serial bus (USB) memory. Moreover, owing to its large storage capacity, it is expected that in the near future, flash memory will replace hard-disk drives as a dominant technology in the mass storage market, especially because of recently emerging solid-state drives. However, the rapid growth of the global digital data has led to the need for flash memories to have larger storage capacity, thus requiring a further downscaling of the cell size. Such a miniaturization is expected to be extremely difficult because of the well-known scaling limit of flash memories. It is therefore necessary to either explore innovative technologies that can extend the areal density of flash memories beyond the scaling limits, or to vigorously develop alternative non-volatile solid-state memories including ferroelectric random-access memory, magnetoresistive random-access memory, phase-change random-access memory, and resistive random-access memory. In this paper, we review the physical principles of flash memories and their technical challenges that affect our ability to enhance the storage capacity. We then present a detailed discussion of novel technologies that can extend the storage density of flash memories beyond the commonly accepted limits. In each case, we subsequently discuss the physical principles of these new types of non-volatile solid-state memories as well as their respective merits and weakness when utilized for data storage applications. Finally, we predict the future prospects for the aforementioned solid-state memories for the next generation of data-storage devices based on a comparison of their performance. [Figure not available: see fulltext.

Formation of doubly and triply bonded unsaturated compounds HCN, HNC, and CH2NH via N + CH4 low-temperature solid state reaction: from molecular clouds to solar system objects

NASA Astrophysics Data System (ADS)

Mencos, Alejandro; Krim, Lahouari

2018-06-01

We show in the current study carried out in solid phase at cryogenic temperatures that methane (CH4) ice exposed to nitrogen atoms is a source of two acids HCN, HNC, and their corresponding hydrogenated unsaturated species CH2NH, in addition to CH3, C2H6, CN-, and three nitrogen hydrides NH, NH2, and NH3. The solid state N + CH4 reaction taken in the ground state seems to be strongly temperature dependent. While at temperatures lower than 10 K only CH3, NH, NH2, and NH3 species formation is promoted due to CH bond dissociation and NH bond formation, stable compounds with CN bonds are formed at temperatures ranged between 10 and 40 K. Many of these reaction products, resulting from CH4 + N reaction, have already been observed in N2-rich regions such as the atmospheres of Titan, Kuiper belt objects, and molecular clouds of the interstellar medium. Our results show the power of the solid state N-atom chemistry in the transformation of simple astrochemical relevant species, such as CH4 molecules and N atoms into complex organic molecules which are also potentially prebiotic species.

Evaluating physical habitat and water chemistry data from statewide stream monitoring programs to establish least-impacted conditions in Washington State

USGS Publications Warehouse

Wilmoth, Siri K.; Irvine, Kathryn M.; Larson, Chad

2015-01-01

Various GIS-generated land-use predictor variables, physical habitat metrics, and water chemistry variables from 75 reference streams and 351 randomly sampled sites throughout Washington State were evaluated for effectiveness at discriminating reference from random sites within level III ecoregions. A combination of multivariate clustering and ordination techniques were used. We describe average observed conditions for a subset of predictor variables as well as proposing statistical criteria for establishing reference conditions for stream habitat in Washington. Using these criteria, we determined whether any of the random sites met expectations for reference condition and whether any of the established reference sites failed to meet expectations for reference condition. Establishing these criteria will set a benchmark from which future data will be compared.

How Much Space Does a Library Need? Justifying Collections Space in an Electronic Age

ERIC Educational Resources Information Center

Butkovich, Nancy J.

2010-01-01

In 2002, plans to merge Penn State's Physical Sciences Library and Mathematics Library provoked a controversy in the Eberly College of Science over the size of the library needed to support its departments. The College contended that a physical collection no more than 5 years old was adequate. A study of astronomy, chemistry, mathematics, physics,…

The role of zinc on the chemistry of complex intermetallic compounds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, Weiwei

2014-01-01

Combining experiments and electronic structure theory provides the framework to design and discover new families of complex intermetallic phases and to understand factors that stabilize both new and known phases. Using solid state synthesis and multiple structural determinations, ferromagnetic β-Mn type Co 8+xZn 12–x was analyzed for their crystal and electronic structures.

The Significance of the Origin of Physical Chemistry for Physical Chemistry Education: The Case of Electrolyte Solution Chemistry

ERIC Educational Resources Information Center

de Berg, Kevin Charles

2014-01-01

Physical Chemistry's birth was fraught with controversy, a controversy about electrolyte solution chemistry which has much to say about how scientific knowledge originates, matures, and responds to challenges. This has direct implications for the way our students are educated in physical chemistry in particular and science in general. The…

QUARTERLY PROGRESS REPORT NO. 83,

DTIC Science & Technology

Topics included are: microwave spectroscopy; radio astronomy; solid-state microwave electronics; optical and infrared spectroscopy; physical electronics and surface physics; physical acoustics; plasma physics; gaseous electronics; plasmas and controlled nuclear fusion ; energy conversion research; statistical communication theory; linguistics; cognitive information processing; communications biophysics; neurophysiology; computation research.

Tunable solid-state laser technology for applications to scientific and technological experiments from space

NASA Technical Reports Server (NTRS)

Allario, F.; Taylor, L. V.

1986-01-01

Current plans for the Earth Observing System (EOS) include development of a lidar facility to conduct scientific experiments from a polar orbiting platforms. A recommended set of experiments were scoped, which includes techniques of atmospheric backscatter (Lidar), Differential Absorption Lidar (DIAL), altimetry, and retroranging. Preliminary assessments of the resources (power, weight, volume) required by the Eos Lidar Facility were conducted. A research program in tunable solid state laser technology was developed, which includes laser materials development, modeling and experiments on the physics of solid state laser materials, and development of solid state laser transmitters with a strong focus on Eos scientific investigations. Some of the system studies that were conducted which highlight the payoff of solid state laser technology for the Eos scientific investigations will be discussed. Additionally, a summary of some promising research results which have recently emerged from the research program will be presented.

Nanoscale solid-state cooling: a review.

PubMed

Ziabari, Amirkoushyar; Zebarjadi, Mona; Vashaee, Daryoosh; Shakouri, Ali

2016-09-01

The recent developments in nanoscale solid-state cooling are reviewed. This includes both theoretical and experimental studies of different physical concepts, as well as nanostructured material design and device configurations. We primarily focus on thermoelectric, thermionic and thermo-magnetic coolers. Particular emphasis is given to the concepts based on metal-semiconductor superlattices, graded materials, non-equilibrium thermoelectric devices, Thomson coolers, and photon assisted Peltier coolers as promising methods for efficient solid-state cooling. Thermomagnetic effects such as magneto-Peltier and Nernst-Ettingshausen cooling are briefly described and recent advances and future trends in these areas are reviewed. The ongoing progress in solid-state cooling concepts such as spin-calorimetrics, electrocalorics, non-equilibrium/nonlinear Peltier devices, superconducting junctions and two-dimensional materials are also elucidated and practical achievements are reviewed. We explain the thermoreflectance thermal imaging microscopy and the transient Harman method as two unique techniques developed for characterization of thermoelectric microrefrigerators. The future prospects for solid-state cooling are briefly summarized.

The Materials Chemistry of Atomic Oxygen with Applications to Anisotropic Etching of Submicron Structures in Microelectronics and the Surface Chemistry Engineering of Porous Solids

NASA Technical Reports Server (NTRS)

Koontz, Steve L.; Leger, Lubert J.; Wu, Corina; Cross, Jon B.; Jurgensen, Charles W.

1994-01-01

Neutral atomic oxygen is the most abundant component of the ionospheric plasma in the low Earth orbit environment (LEO; 200 to 700 kilometers altitude) and can produce significant degradation of some spacecraft materials. In order to produce a more complete understanding of the materials chemistry of atomic oxygen, the chemistry and physics of O-atom interactions with materials were determined in three radically different environments: (1) The Space Shuttle cargo bay in low Earth orbit (the EOIM-3 space flight experiment), (2) a high-velocity neutral atom beam system (HVAB) at Los Alamos National Laboratory (LANL), and (3) a microwave-plasma flowing-discharge system at JSC. The Space Shuttle and the high velocity atom beam systems produce atom-surface collision energies ranging from 0.1 to 7 eV (hyperthermal atoms) under high-vacuum conditions, while the flowing discharge system produces a 0.065 eV surface collision energy at a total pressure of 2 Torr. Data obtained in the three different O-atom environments referred to above show that the rate of O-atom reaction with polymeric materials is strongly dependent on atom kinetic energy, obeying a reactive scattering law which suggests that atom kinetic energy is directly available for overcoming activation barriers in the reaction. General relationships between polymer reactivity with O atoms and polymer composition and molecular structure have been determined. In addition, vacuum ultraviolet photochemical effects have been shown to dominate the reaction of O atoms with fluorocarbon polymers. Finally, studies of the materials chemistry of O atoms have produced results which may be of interest to technologists outside the aerospace industry. Atomic oxygen 'spin-off' or 'dual use' technologies in the areas of anisotropic etching in microelectronic materials and device processing, as well as surface chemistry engineering of porous solid materials are described.

Digitized adiabatic quantum computing with a superconducting circuit.

PubMed

Barends, R; Shabani, A; Lamata, L; Kelly, J; Mezzacapo, A; Las Heras, U; Babbush, R; Fowler, A G; Campbell, B; Chen, Yu; Chen, Z; Chiaro, B; Dunsworth, A; Jeffrey, E; Lucero, E; Megrant, A; Mutus, J Y; Neeley, M; Neill, C; O'Malley, P J J; Quintana, C; Roushan, P; Sank, D; Vainsencher, A; Wenner, J; White, T C; Solano, E; Neven, H; Martinis, John M

2016-06-09

Quantum mechanics can help to solve complex problems in physics and chemistry, provided they can be programmed in a physical device. In adiabatic quantum computing, a system is slowly evolved from the ground state of a simple initial Hamiltonian to a final Hamiltonian that encodes a computational problem. The appeal of this approach lies in the combination of simplicity and generality; in principle, any problem can be encoded. In practice, applications are restricted by limited connectivity, available interactions and noise. A complementary approach is digital quantum computing, which enables the construction of arbitrary interactions and is compatible with error correction, but uses quantum circuit algorithms that are problem-specific. Here we combine the advantages of both approaches by implementing digitized adiabatic quantum computing in a superconducting system. We tomographically probe the system during the digitized evolution and explore the scaling of errors with system size. We then let the full system find the solution to random instances of the one-dimensional Ising problem as well as problem Hamiltonians that involve more complex interactions. This digital quantum simulation of the adiabatic algorithm consists of up to nine qubits and up to 1,000 quantum logic gates. The demonstration of digitized adiabatic quantum computing in the solid state opens a path to synthesizing long-range correlations and solving complex computational problems. When combined with fault-tolerance, our approach becomes a general-purpose algorithm that is scalable.

The Physics and Chemistry of carbides, Nitrides and Borides. Volume 185

DTIC Science & Technology

1990-01-01

and C-B-C chains [15,17]. Clearly, the use of boron-rich solids as electronic materials will place new demands on the quality of materials. In this...first heated in a pyrolytic boron nitride (PBN) crucible ( Union Carbide Corp.) under high vacuum (< 50 mTorr) to 1900°C. This removed surface...contamination of the sample. The powders were loaded into a graphite die with a high-purity BN die liner ( Union Carbide Grade HBC) with inner diameter of 3/8

Distributed Combustion in Solid Propellants

DTIC Science & Technology

1993-03-01

SENTRY. During that year three full scale development motors were test fired. All three motors experienced an unacceptabiy high level of combustion...CO. Thermochemical Implications," Journal of Physical Chemistry , 1986, Vol. 90, pp. 1688-1691. Rundinger, G., "Effect of Velocity Slip on the...resulting equation is found to be M (r, l = Lelnf 1 F (T-f- T’) I F(Tf- Ts) -J (B.20) where (p is given by P = (MvQ1 + McQ + H) Mil and F is the ratio of

Modeling of Shock Waves with Multiple Phase Transitions in Condensed Materials

NASA Astrophysics Data System (ADS)

Missonnier, Marc; Heuzé, Olivier

2006-07-01

When a shock wave crosses a solid material and subjects it to solid-solid or solid-liquid phase transition, related phenomena occur: shock splitting, and the corresponding released shock wave after reflection. Modelling of these phenomena raises physical and numerical issues. After shock loading, such materials can reach different kinds of states: single-phase states, binary-phase states, and triple points. The thermodynamic path can be studied and easily understood in the (V,E) or (V,S) planes. In the case of 3 phase tin (β,γ, and liquid) submitted to shock waves, seven states can occur: β,γ, liquid, β-γ, β-liquid, γ-liquid, and β-γ-liquid. After studying the thermodynamic properties with a complete 3-phase Equation of State, we show the existence of these seven states with a hydrodynamic simulation.

Application of Berry's Phase to the Effective Mass of Bloch Electrons

ERIC Educational Resources Information Center

Rave, M. J.; Kerr, W. C.

2010-01-01

Berry's phase, although well known since 1984, has received little attention among textbook authors of solid state physics. We attempt to address this lack by showing how the presence of the Berry's phase significantly changes a standard concept (effective mass) found in most solid state texts. Specifically, we show that the presence of a non-zero…

FRAUD/SABOTAGE Killing Nuclear-Reactors Need Modeling!!!: "Super"alloys GENERIC ENDEMIC Wigner's-Disease/.../IN-stability: Ethics? SHMETHICS!!!

NASA Astrophysics Data System (ADS)

Asphahani, Aziz; Siegel, Sidney; Siegel, Edward

2010-03-01

Carbides solid-state chemistry domination of old/new nuclear- reactors/spent-fuel-casks/refineries/jet/missile/rocket-engines in austenitic/FCC Ni/Fe-based(so miscalled)``super"alloys(182/82; Hastelloy-X,600,304/304L-SSs,...,690!!!) GENERIC ENDEMIC EXTANT detrimental(synonyms): Wigner's-diseas(WD)[J.Appl.Phys.17,857 (1946)]/Ostwald-ripening/spinodal-decomposition/overageing- embrittlement/thermal-leading-to-mechanical(TLTM)-INstability: Mayo[Google:``If Leaks Could Kill"; at flickr.com search on ``Giant-Magnotoresistance"; find: Siegel[J.Mag.Mag.Mtls.7,312 (1978)]<<<``Fert"-"Gruenberg"(1988/89)2007-physics Nobel/Wolf/ Japan-prizes]necessitating NRC-inspections of 40+25 = 65 Westin- ``KLouse PWRs(12/2006)]-Lai[Met.Trans.AIME,9A,827(1978)]-Sabol- Stickler[Phys.Stat.Sol.(1970)]-Ashpahani[Intl.Conf. H in Metals, Paris(1977]-Russell[Prog.Mtls.Sci.(1983)]-Pollard[last UCS rept. (9/1995)]-Lofaro[BNL/DOE/NRC Repts.]-Pringle[Nuclear-Power:From Physics to Politics(1979)]-Hoffman[animatedsoftware.com], what DOE/NRC MISlabels as ``butt-welds" ``stress-corrosion cracking" endpoint's ROOT-CAUSE ULTIMATE-ORIGIN is WD overageing-embritt- lement caused brittle-fracture cracking from early/ongoing AEC/ DOE-n"u"tional-la"v"atories sabotage!!!

Editorial: The Sackler International Prize in Biophysical Sciences

NASA Astrophysics Data System (ADS)

Frydman, Lucio

2018-02-01

The Raymond and Beverly Sackler International Prize is awarded alternatively in the fields of Biophysics, Chemistry and Physics on a yearly basis, by Tel Aviv University. The price is intended to encourage dedication to science, originality and excellence, by rewarding outstanding scientists under 45 years of age, with a total purse of 100,000. The 2016 Raymond and Beverly Sackler Prize was awarded in the field of Magnetic Resonance last February in a festive symposium, to three excellent researchers: Professor John Morton (University College London), Professor Guido Pintacuda (Ecole Normale Supérieure de Lyon and CNRS), and Professor Charalampos Kalodimos (at the time at the University of Minnesota). John was recognized for his novel contributions to quantum information processing, by means of a range of highly elegant physical phenomena involving both NMR and EPR. Guido was recognized for his methodological advances in solid state NMR spectroscopy, including advances in proton detection under ultrafast MAS at ultrahigh magnetic field, and for his insightful applications to challenging biological systems. While Charalampos (Babis) was recognized for beautifully detailed characterizations of structure, function, and dynamics in challenging and important biological systems through solution NMR spectroscopy.

Machine learning properties of materials and molecules with entropy-regularized kernels

NASA Astrophysics Data System (ADS)

Ceriotti, Michele; Bartók, Albert; CsáNyi, GáBor; de, Sandip

Application of machine-learning methods to physics, chemistry and materials science is gaining traction as a strategy to obtain accurate predictions of the properties of matter at a fraction of the typical cost of quantum mechanical electronic structure calculations. In this endeavor, one can leverage general-purpose frameworks for supervised-learning. It is however very important that the input data - for instance the positions of atoms in a molecule or solid - is processed into a form that reflects all the underlying physical symmetries of the problem, and that possesses the regularity properties that are required by machine-learning algorithms. Here we introduce a general strategy to build a representation of this kind. We will start from existing approaches to compare local environments (basically, groups of atoms), and combine them using techniques borrowed from optimal transport theory, discussing the relation between this idea and additive energy decompositions. We will present a few examples demonstrating the potential of this approach as a tool to predict molecular and materials' properties with an accuracy on par with state-of-the-art electronic structure methods. MARVEL NCCR (Swiss National Science Foundation) and ERC StG HBMAP (European Research Council, G.A. 677013).

Polymeric Amorphous Solid Dispersions: A Review of Amorphization, Crystallization, Stabilization, Solid-State Characterization, and Aqueous Solubilization of Biopharmaceutical Classification System Class II Drugs.

PubMed

Baghel, Shrawan; Cathcart, Helen; O'Reilly, Niall J

2016-09-01

Poor water solubility of many drugs has emerged as one of the major challenges in the pharmaceutical world. Polymer-based amorphous solid dispersions have been considered as the major advancement in overcoming limited aqueous solubility and oral absorption issues. The principle drawback of this approach is that they can lack necessary stability and revert to the crystalline form on storage. Significant upfront development is, therefore, required to generate stable amorphous formulations. A thorough understanding of the processes occurring at a molecular level is imperative for the rational design of amorphous solid dispersion products. This review attempts to address the critical molecular and thermodynamic aspects governing the physicochemical properties of such systems. A brief introduction to Biopharmaceutical Classification System, solid dispersions, glass transition, and solubility advantage of amorphous drugs is provided. The objective of this review is to weigh the current understanding of solid dispersion chemistry and to critically review the theoretical, technical, and molecular aspects of solid dispersions (amorphization and crystallization) and potential advantage of polymers (stabilization and solubilization) as inert, hydrophilic, pharmaceutical carrier matrices. In addition, different preformulation tools for the rational selection of polymers, state-of-the-art techniques for preparation and characterization of polymeric amorphous solid dispersions, and drug supersaturation in gastric media are also discussed. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

RETRACTED: An overview of mathematical modeling of electrochemical supercapacitors/ultracapacitors

NASA Astrophysics Data System (ADS)

Ike, Innocent S.; Sigalas, Iakovos; Iyuke, Sunny; Ozoemena, Kenneth I.

2015-01-01

This article has been retracted at the request of the Editor-in-Chief, with agreement of the authors: please see Elsevier Policy on Article Withdrawal. Substantial parts of this review paper are similar to the texts of existing papers in the literature. The co-authors state that the corresponding author submitted the manuscript without their approval. The following works are affected: IEEE Transactions on Power Electronics, 26 (2011) 3472-3480, http://dx.doi.org/10.1109/TPEL.2011.2161096 The Journal of Physical Chemistry Letters, 4 (2013) 1260-1267, http://dx.doi.org/10.1021/jz4002967 The Journal of Physical Chemistry Letters, 4 (2013), 3367-3376, http://dx.doi.org/10.1021/jz4014163 Physical Chemistry Chemical Physics, 16 (2014), 6519-6538, http://dx.doi.org/10.1039/c3cp55186e The Authors unreservedly apologise for this violation of the publishing policies, and offer sincere apologies to the parties affected. The journal apologises to its readers and the authors that the overlap was not detected during the submission and review process.

Chemistry on Stamps.

ERIC Educational Resources Information Center

Schreck, James O.

1986-01-01

Suggests how postage stamps can be incorporated into chemistry teaching. Categories considered include emergence of chemistry as a science, metric system, atoms (and molecules and ions), stoichiometry, energy relationships in chemical systems, chemical bonding, nuclear chemistry, biochemistry, geochemistry, matter (gases, liquids, and solids),…

Tunable porosities and shapes of fullerene-like spheres.

PubMed

Dielmann, Fabian; Fleischmann, Matthias; Heindl, Claudia; Peresypkina, Eugenia V; Virovets, Alexander V; Gschwind, Ruth M; Scheer, Manfred

2015-04-13

The formation of reversible switchable nanostructures monitored by solution and solid-state methods is still a challenge in supramolecular chemistry. By a comprehensive solid state and solution study we demonstrate the potential of the fivefold symmetrical building block of pentaphosphaferrocene in combination with Cu(I) halides to switch between spheres of different porosity and shape. With increasing amount of CuX, the structures of the formed supramolecules change from incomplete to complete spherically shaped fullerene-like assemblies possessing an Ih -C80 topology at one side and to a tetrahedral-structured aggregate at the other. In the solid state, the formed nano-sized aggregates reach an outer diameter of 3.14 and 3.56 nm, respectively. This feature is used to reversibly encapsulate and release guest molecules in solution. © 2015 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution Non-Commercial License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes.

Feasibility of Integration of Selected Aspects of (CBA) Chemistry, (CHEMS) Chemistry and (PSSC) Physics into a Two Year Physical Science Sequence.

ERIC Educational Resources Information Center

Fiasca, Michael Aldo

Compared, for selected outcomes, were integrated chemistry-physics courses with chemistry and physics courses taught separately. Three classes studying integrated Physical Science Study Committee (PSSC)-Chemical Bond Approach (CBA), and three classes studying integrated Physical Science Study Committee-Chemical Education Materials Study (CHEMS)…

Pre-service teachers' metaphorical perceptions of "physics" as a concept

NASA Astrophysics Data System (ADS)

Aykutlu, Isil; Bayrak, Celal; Bezen, Sevim

2018-02-01

In this study, the aim is to reveal pre-service biology, chemistry and mathematics teachers' metaphorical perceptions for physics. This study was patterned by employing phenomenology, which is one of the qualitative research methods. Sampling of the study consists of 90 pre-service teachers enrolled at the departments of biology, chemistry, and mathematics education at the faculty of education of a state university in Ankara. A metaphor form was prepared to determine pre-service teachers' mental metaphors for the physics concept. Then, it was determined that a total of 80 pre-service teachers generated 34 different metaphors for physics concept. As a result of the study, 34 metaphors generated by pre-service teachers for "physics" concept were gathered under seven different categories. Also, it was determined that pre-service teachers express most frequently "life" (26,25%) and "a difficult to solve problem"(21,25%) which take place in conceptual categories.

Molecular beam epitaxy growth of niobium oxides by solid/liquid state oxygen source and lithium assisted metal-halide chemistry

NASA Astrophysics Data System (ADS)

Tellekamp, M. Brooks; Greenlee, Jordan D.; Shank, Joshua C.; Doolittle, W. Alan

2015-09-01

In order to consistently grow high quality niobium oxides and lithium niobium oxides, a novel solid/liquid state oxygen source, LiClO4, has been implemented in a molecular beam epitaxy (MBE) system. LiClO4 is shown to decompose into both molecular and atomic oxygen upon heating. This allows oxidation rates similar to that of molecular oxygen but at a reduced overall beam flux, quantified by in situ Auger analysis. LiClO4 operation is decomposition limited to less than 400 °C, and other material limitations are identified. The design of a custom near-ambient NbCl5 effusion cell is presented, which improves both short and long term stability. Films of Nb oxidation state +2, +3, and +5 are grown using these new tools, including the multi-functional sub-oxide LiNbO2.

Determination of Plant Volatiles Using Solid Phase Microextraction GC-MS

ERIC Educational Resources Information Center

Van Bramer, Scott; Goodrich, Katherine R.

2015-01-01

This experiment combines analytical techniques of solid phase microextraction and gas chromatography-mass spectrometry with easily relatable and accessible plant volatile chemistry (floral and vegetative scents of local/available plants). The biosynthesis and structure of these chemicals are of interest in the areas of organic chemistry,…

Cycles for Science: Curriculum Supplement for Chemistry (Grades 9-12).

ERIC Educational Resources Information Center

Rogers, Diana, Ed.

This document was developed in cooperation with secondary teachers and solid waste management professionals. The goal is to integrate steel recycling, natural resource conservation, and solid waste management into science learning. Basic concepts from the following chemistry units have been used to design the lessons and activities: transition…

Solid State Laser Technology Development for Atmospheric Sensing Applications

NASA Technical Reports Server (NTRS)

Barnes, James C.

1998-01-01

NASA atmospheric scientists are currently planning active remote sensing missions that will enable global monitoring of atmospheric ozone, water vapor, aerosols and clouds as well as global wind velocity. The measurements of these elements and parameters are important because of the effects they have on climate change, atmospheric chemistry and dynamics, atmospheric transport and, in general, the health of the planet. NASA will make use of Differential Absorption Lidar (DIAL) and backscatter lidar techniques for active remote sensing of molecular constituents and atmospheric phenomena from advanced high-altitude aircraft and space platforms. This paper provides an overview of NASA Langley Research Center's (LaRC's) development of advanced solid state lasers, harmonic generators, and wave mixing techniques aimed at providing the broad range of wavelengths necessary to meet measurement goals of NASA's Earth Science Enterprise.

Solid-State Molecular Nanomagnet Inclusion into a Magnetic Metal-Organic Framework: Interplay of the Magnetic Properties.

PubMed

Mon, Marta; Pascual-Álvarez, Alejandro; Grancha, Thais; Cano, Joan; Ferrando-Soria, Jesús; Lloret, Francesc; Gascon, Jorge; Pasán, Jorge; Armentano, Donatella; Pardo, Emilio

2016-01-11

Single-ion magnets (SIMs) are the smallest possible magnetic devices and are a controllable, bottom-up approach to nanoscale magnetism with potential applications in quantum computing and high-density information storage. In this work, we take advantage of the promising, but yet insufficiently explored, solid-state chemistry of metal-organic frameworks (MOFs) to report the single-crystal to single-crystal inclusion of such molecular nanomagnets within the pores of a magnetic MOF. The resulting host-guest supramolecular aggregate is used as a playground in the first in-depth study on the interplay between the internal magnetic field created by the long-range magnetic ordering of the structured MOF and the slow magnetic relaxation of the SIM. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

REFLECTIONS ON PHYSICAL CHEMISTRY: Science and Scientists

NASA Astrophysics Data System (ADS)

Jortner, Joshua

2006-05-01

This is the story of a young person who grew up in Tel-Aviv during the period of the establishment of the State of Israel and was inspired to become a physical chemist by the cultural environment, by the excellent high-school education, and by having been trained by some outstanding scientists at the Hebrew University of Jerusalem and, subsequently, by the intellectual environment and high-quality scientific endeavor at the University of Chicago. Since serving as the first chairman of the Chemistry Department of the newly formed Tel-Aviv University he has been immersed in research, in the training of young scientists, and in intensive and extensive international scientific collaboration. Together with the members of his "scientific family" he has explored the phenomena of energy acquisition, storage and disposal and structure-dynamics-function relations in large molecules, condensed phase, clusters and biomolecules, and is looking forward to many future adventures in physical chemistry. "What to leave out and what to put in? That's the problem." Hugh Lofting, Doctor Dolittle's Zoo, 1925

A new family of Ln₇ clusters with an ideal D(3h) metal-centered trigonal prismatic geometry, and SMM and photoluminescence behaviors.

PubMed

Mazarakioti, Eleni C; Poole, Katye M; Cunha-Silva, Luis; Christou, George; Stamatatos, Theocharis C

2014-08-14

The first use of the flexible Schiff base ligand N-salicylidene-2-aminocyclohexanol in metal cluster chemistry has afforded a new family of Ln7 clusters with ideal D(3h) point group symmetry and metal-centered trigonal prismatic topology; solid-state and solution studies revealed SMM and photoluminescence behaviors.

Photochemistry of polycyclic aromatic hydrocarbons in cosmic water ice. II. Near UV/VIS spectroscopy and ionization rates

NASA Astrophysics Data System (ADS)

Bouwman, J.; Cuppen, H. M.; Steglich, M.; Allamandola, L. J.; Linnartz, H.

2011-05-01

Context. Mid-infrared emission features originating from polycyclic aromatic hydrocarbons (PAHs) are observed towards photon dominated regions in space. Towards dense clouds, however, these emission features are quenched. Observations of dense clouds show that many simple volatile molecules are frozen out on interstellar grains, forming thin layers of ice. Recently, observations have shown that more complex non-volatile species, presumably including PAHs, also freeze out and contribute to the ongoing solid-state chemistry. Aims: The study presented here aims at obtaining reaction rate data that characterize PAH photochemistry upon vacuum ultraviolet (VUV) irradiation in an interstellar H2O ice analogue to explore the potential impact of PAH:H2O ice reactions on overall interstellar ice chemistry. To this end, the experimental results are implemented in a chemical model under simple interstellar cloud conditions. Methods: Time-dependent near-UV/VIS spectroscopy on the VUV photochemistry of anthracene, pyrene, benzo[ghi]perylene and coronene containing interstellar H2O ice analogs is performed at 25 and 125 K, using an optical absorption setup. Results: Near-UV/VIS absorption spectra are presented for these four PAHs and their photoproducts including cationic species trapped in H2O ice. Oscillator strengths of the cation absorption bands are derived relative to the oscillator strength of the neutral parent PAH. The loss of the parent and growth of PAH photoproducts are measured as a function of VUV dose, yielding solid state reaction constants. The rate constants are used in an exploratory astrochemical model, to assess the importance of PAH:H2O ice photoprocessing in UV exposed interstellar environments, compared with the timescales in which PAH molecules are incorporated in interstellar ices. Conclusions: All four PAHs studied here are found to be readily ionized upon VUV photolysis when trapped in H2O ice and exhibit similar rates for ionization at astronomically relevant temperatures. Depending on the relative efficiency of H2O photodesorption and PAH photoionization in H2O ice, the latter may trigger a charge induced aromatic solid state chemistry, in which PAH cations play a central role.

Critical considerations for the qualitative and quantitative determination of process-induced disorder in crystalline solids.

PubMed

Newman, Ann; Zografi, George

2014-09-01

Solid-state instabilities in crystalline solids arise during processing primarily because a certain level of structural disorder has been introduced into the crystal. Many physical instabilities appear to be associated with the recrystallization of molecules from these disordered regions, while chemical instabilities arise from sufficient molecular mobility to allow solid-state chemical reactivity. In this Commentary we discuss the various forms of structural disorder, processing which can produce disorder, the quantitative analysis of process-induced order, and strategies to limit disorder and its effects. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

A prototype hybrid 7π quinone-fused 1,3,2-dithiazolyl radical.

PubMed

Decken, A; Mailman, A; Passmore, J; Rautiainen, J M; Scherer, W; Scheidt, E-W

2011-01-28

Reaction of 1,4-naphthoquinone and SNSMF(6) (M = As, Sb) in SO(2) solution in a 1 : 2 molar ratio led to the naphthoquinone fused 1,3,2-dithiazolylium salts, 3MF(6) quantitatively by multinuclear NMR (87% isolated yield of 3SbF(6)) via the cycloaddition and oxidative dehydrogenation chemistry of SNS(+) with formation of NH(4)SbF(6) and S(8). The product 3SbF(6) was fully characterized by IR, Raman, multinuclear {(1)H, (13)C, (14)N} NMR, elemental analysis, cyclic voltammetry and single crystal X-ray crystallography. The reduction of 3SbF(6) with ferrocene (Cp(2)Fe) in refluxing acetonitrile (CH(3)CN) led to the first isolation of a fused quinone-thiazyl radical, 3˙ in 73% yield. The prototype hybrid quinone-thiazyl radical 3˙ was fully characterized by IR, Raman microscopy, EI-MS, elemental analysis, solution and solid state EPR, magnetic susceptibility (2-370 K) and was found to form π*-π* dimers in the solid state as determined by single crystal X-ray crystallography. Furthermore, the thermal decomposition of 3˙ led to a novel quinone-fused 1,2,3,4-tetrathiine, 10 (x = 2) and the known 1,2,5-thiadiazole, 11. The energetics of the cycloadditon and oxidative dehydrogenation chemistry of SNS(+) and 1,4-naphthoquinone leading to 3SbF(6) were estimated in the gas phase and SO(2) solution by DFT calculations (PBE0/6-311G(d)) and lattice enthalpies obtained by the volume based thermodynamic (VBT) approach in the solid state. The gas phase ion energetics (ionization potential (IP) and electron affinity (EA)) of 3˙ are compared to related 1,3,2- and 1,2,3-dithiazolyl radicals.

Biological and environmental interactions of emerging two-dimensional nanomaterials

PubMed Central

Wang, Zhongying; Zhu, Wenpeng; Qiu, Yang; Yi, Xin; von dem Bussche, Annette; Kane, Agnes; Gao, Huajian; Koski, Kristie; Hurt, Robert

2016-01-01

Two-dimensional materials have become a major focus in materials chemistry research worldwide with substantial efforts centered on synthesis, property characterization, and technological application. These high-aspect ratio sheet-like solids come in a wide array of chemical compositions, crystal phases, and physical forms, and are anticipated to enable a host of future technologies in areas that include electronics, sensors, coatings, barriers, energy storage and conversion, and biomedicine. A parallel effort has begun to understand the biological and environmental interactions of synthetic nanosheets, both to enable the biomedical developments and to ensure human health and safety for all application fields. This review covers the most recent literature on the biological responses to 2D materials and also draws from older literature on natural lamellar minerals to provide additional insight into the essential chemical behaviors. The article proposes a framework for more systematic investigation of biological behavior in the future, rooted in fundamental materials chemistry and physics. That framework considers three fundamental interaction modes: (i) chemical interactions and phase transformations, (ii) electronic and surface redox interactions, and (iii) physical and mechanical interactions that are unique to near-atomically-thin, high-aspect-ratio solids. Two-dimensional materials are shown to exhibit a wide range of behaviors, which reflect the diversity in their chemical compositions, and many are expected to undergo reactive dissolution processes that will be key to understanding their behaviors and interpreting biological response data. The review concludes with a series of recommendations for high-priority research subtopics at the “bio-nanosheet” interface that we hope will enable safe and successful development of technologies related to two-dimensional nanomaterials. PMID:26923057

The molecular universe: from astronomy to laboratory astrophysics and back

NASA Astrophysics Data System (ADS)

van Dishoeck, Ewine

2015-08-01

Molecules are found in a wide range of astronomical environments, fromour Solar System to distant starburst galaxies at the highest redshifts. Thanks to the opening up of the infrared and (sub)millimeter wavelength regime, culminating with Herschel and ALMA, more than 180 different species have now been found throughout the various stages of stellar birth and death: diffuse and dense interstellar clouds, protostars and disks, the envelopes of evolved stars and planetary nebulae, and exo-planetary atmospheres. Molecules and solid-state features are now also routinely detected in the interstellar medium of external galaxies, near and far.There are many motivations for studying this molecular universe. From the chemical perspective, interstellar space provides a unique laboratory to study basic molecular processes under very different conditions from those normally found in a laboratory on Earth. For astronomers, molecules are unique probes of the many environments where they are found, providing information on density, temperature, dynamics, ionization fractions and magnetic fields. Molecules also play an important role in the cooling of clouds allowing them to collapse, including the formation of the very first stars and galaxies. Finally, the molecular composition is sensitive to the history of the material, and ultimately provides critical information on our origins.This talk will summarize a number of recent observational highlights and provide examples of cases where the availability of new laboratory data proved crucial in the analysis. This includes basic data such as spectroscopy and collisional rate coefficients, but also an improved understanding of photoprocesses in the gaseous and solid state. Much of the chemistry in star- and planet-forming regions is now thought to be driven by gas-grain chemistry rather than pure gas-phase chemistry, and a few examples of the close link between models and laboratory experiments will be given. In spite of lingering uncertainties, the future of molecular astrophysics is bright and will allow increased understanding of the journey of gas and solids from clouds to comets and planets.

Graph theory data for topological quantum chemistry.

PubMed

Vergniory, M G; Elcoro, L; Wang, Zhijun; Cano, Jennifer; Felser, C; Aroyo, M I; Bernevig, B Andrei; Bradlyn, Barry

2017-08-01

Topological phases of noninteracting particles are distinguished by the global properties of their band structure and eigenfunctions in momentum space. On the other hand, group theory as conventionally applied to solid-state physics focuses only on properties that are local (at high-symmetry points, lines, and planes) in the Brillouin zone. To bridge this gap, we have previously [Bradlyn et al., Nature (London) 547, 298 (2017)NATUAS0028-083610.1038/nature23268] mapped the problem of constructing global band structures out of local data to a graph construction problem. In this paper, we provide the explicit data and formulate the necessary algorithms to produce all topologically distinct graphs. Furthermore, we show how to apply these algorithms to certain "elementary" band structures highlighted in the aforementioned reference, and thus we identified and tabulated all orbital types and lattices that can give rise to topologically disconnected band structures. Finally, we show how to use the newly developed bandrep program on the Bilbao Crystallographic Server to access the results of our computation.

Pharmaceutical cocrystals, salts and multicomponent systems; intermolecular interactions and property based design.

PubMed

Berry, David J; Steed, Jonathan W

2017-08-01

As small molecule drugs become harder to develop and less cost effective for patient use, efficient strategies for their property improvement become increasingly important to global health initiatives. Improvements in the physical properties of Active Pharmaceutical Ingredients (APIs), without changes in the covalent chemistry, have long been possible through the application of binary component solids. This was first achieved through the use of pharmaceutical salts, within the last 10-15years with cocrystals and more recently coamorphous systems have also been consciously applied to this problem. In order to rationally discover the best multicomponent phase for drug development, intermolecular interactions need to be considered at all stages of the process. This review highlights the current thinking in this area and the state of the art in: pharmaceutical multicomponent phase design, the intermolecular interactions in these phases, the implications of these interactions on the material properties and the pharmacokinetics in a patient. Copyright © 2017 Elsevier B.V. All rights reserved.

Progression towards optimization of viscosity of highly concentrated carbonaceous solid-water slurries by incorporating and modifying surface chemistry parameters with and without additives

NASA Astrophysics Data System (ADS)

Mukherjee, Amrita

Carbonaceous solid-water slurries (CSWS) are concentrated suspensions of coal, petcoke bitumen, pitch etc. in water which are used as feedstock for gasifiers. The high solid loading (60-75 wt.%) in the slurry increases CSWS viscosity. For easier handling and pumping of these highly loaded mixtures, low viscosities are desirable. Depending on the nature of the carbonaceous solid, solids loading in the slurry and the particle size distribution, viscosity of a slurry can vary significantly. Ability to accurately predict the viscosity of a slurry will provide a better control over the design of slurry transport system and for viscosity optimization. The existing viscosity prediction models were originally developed for hard-sphere suspensions and therefore do not take into account surface chemistry. As a result, the viscosity predictions using these models for CSWS are not very accurate. Additives are commonly added to decrease viscosity of the CSWS by altering the surface chemistry. Since additives are specific to CSWS, selection of appropriate additives is crucial. The goal of this research was to aid in optimization of CSWS viscosity through improved prediction and selection of appropriate additive. To incorporate effect of surface chemistry in the models predicting suspension viscosity, the effect of the different interfacial interactions caused by different surface chemistries has to be accounted for. Slurries of five carbonaceous solids with varying O/C ratio (to represent different surface chemistry parameters) were used for the study. To determine the interparticle interactions of the carbonaceous solids in water, interfacial energies were calculated on the basis of surface chemistries, characterized by contact angles and zeta potential measurements. The carbonaceous solid particles in the slurries were assumed to be spherical. Polar interaction energy (hydrophobic/hydrophilic interaction energy), which was observed to be 5-6 orders of magnitude higher than the electrostatic interaction energy, and the van der Waals interaction energy, was clearly the dominant interaction energy for such a system. Hydrophobic interactions lead to the formation of aggregation networks of solids in the suspensions, entrapping a part of the bulk water, whereas hydrophilic interactions result in the formation of hydration layers around carbonaceous solids. Both of these phenomena cause a loss of bulk water from the slurry and increase the effective solid volume fraction, resulting in an increase in slurry viscosity. The water in the bulk of the slurry, responsible for the fluidity of the slurry is called free water. The amount of free water was determined using thermogravimetric analysis and was observed to increase with an increase in the O/C ratio of a carbonaceous solid (up to ˜20%). The free water to total water ratio was observed to be constant for the slurry of a particular carbonaceous solid for various loadings of solids (44 wt.% to 67 wt.%). The increase in the effective solid volume fractions of slurries was determined using viscosity measurements. A relationship between the effective solid volume fraction and the O/C ratio of the carbonaceous solid was developed. This correlation was then incorporated into the existing equation for viscosity prediction (developed based on particle size distribution and solid volume fraction), to account for the surface chemistry of the carbonaceous solid and hence improve the predictive capabilities. This modified equation was validated using three concentrated carbonaceous slurries with different particle size distributions and was observed to significantly improve accuracy of prediction (deviation of predicted results decreased from up to 96% to 25%). The validation was performed with a lignite, bituminous coal and a petcoke-all with low ash yield. Additives modify the surface chemistry of the carbonaceous solids, thereby affecting the interfacial interactions. Through this research, the effects of additives on the interfacial interactions and hence on slurry viscosity were determined. Since the additives used are specific to the surface chemistry of the solids in the slurry, this knowledge aids in the selection of the appropriate additive. The study was conducted using three carbonaceous solids with different O/C ratios and an anionic and a non-ionic additive. The adsorption of the additives on the carbonaceous solids, the change in the zeta potential and hydrophobicity/hydrophilicity of the solids and the change in the free water content of the slurries were determined. The adsorption of the additives increased with an increase in the mineral matter content of the carbonaceous solids. There was also an increase in the zeta potential of the carbonaceous solids in water upon the addition of the anionic additive (up to ˜30%). However, the calculated resultant electrostatic repulsion energy upon the addition of the anionic additive was 5-6 orders of magnitude lower than the polar interaction energy of the carbonaceous solids in water. Contact angle measurements indicated that both additives changed the hydrophobicity/hydrophilicity of the solid surface (by up to 70°). This resulted in the release of bound water into the bulk slurries (up to 6%), resulting in greater fluidity. The increase in free water content of the slurries with additives was confirmed by thermogravimetric analysis (TGA). A correlation predicting the slurry viscosity on the basis of the weight fraction of free water in the slurries with additives was also developed.

Design and synthesis of the superionic conductor Na10SnP2S12

PubMed Central

Richards, William D.; Tsujimura, Tomoyuki; Miara, Lincoln J.; Wang, Yan; Kim, Jae Chul; Ong, Shyue Ping; Uechi, Ichiro; Suzuki, Naoki; Ceder, Gerbrand

2016-01-01

Sodium-ion batteries are emerging as candidates for large-scale energy storage due to their low cost and the wide variety of cathode materials available. As battery size and adoption in critical applications increases, safety concerns are resurfacing due to the inherent flammability of organic electrolytes currently in use in both lithium and sodium battery chemistries. Development of solid-state batteries with ionic electrolytes eliminates this concern, while also allowing novel device architectures and potentially improving cycle life. Here we report the computation-assisted discovery and synthesis of a high-performance solid-state electrolyte material: Na10SnP2S12, with room temperature ionic conductivity of 0.4 mS cm−1 rivalling the conductivity of the best sodium sulfide solid electrolytes to date. We also computationally investigate the variants of this compound where tin is substituted by germanium or silicon and find that the latter may achieve even higher conductivity. PMID:26984102

The physics and chemistry behind the bubbling properties of champagne and sparkling wines: a state-of-the-art review.

PubMed

Liger-Belair, Gérard

2005-04-20

In this review, the latest results about the chemical physics behind the bubbling properties of Champagne and sparkling wines are collected and fully illustrated. The chemistry of carbon dioxide molecules dissolved into the liquid matrix (section 2) is presented, as are the three main steps of a fleeting bubble's life, that is, the bubble nucleation on tiny particles stuck on the glass wall (section 3), the bubble ascent and growth through the liquid matrix (section 4), and the bursting of bubbles at the liquid surface (section 5), which constitutes the most intriguing, functional, and visually appealing step.

Some Historical Points of Interest in Göttingen

NASA Astrophysics Data System (ADS)

Hentschel, Klaus

The Georgia Augusta University of Göttingen, founded in 1737, was a child of the Enlightenment, and the new sciences have always played a major role here.1 Among the teachers of physics, physical chemistry, astronomy, and related subjects we find Johann Christian Polykarp Erxleben, Georg Christoph Lichtenberg, Johann Tobias Mayer, Carl Friedrich Gauss, Johann B. Listing, Wilhelm Eduard Weber, Woldemar Voigt, Friedrich Kohlrausch, Eduard Riecke, Walther Nernst and Peter Debye — the last two subsequently moved on to Berlin. In the 1920s, physics students were jestingly referred to as “Frankierte, Bornierte und Polierte” (loosely translated as stamped, limited and polished), in allusion to their teachers, the theoretical physicist Max Born and the experimentalists James Franck and Robert Wichard Pohl, the first two being important figures in the history of quantum theory, the third, one of the founding fathers of experimental solid state physics.2 The National Socialist’s rise to power had a devastating effect on this world-renowned center for physics and mathematics. Most of its high-caliber scientists either were dismissed on the basis of the racist “Law for the Restoration of the Professional Civil Service” or themselves felt compelled to emigrate: About a dozen members of the physics faculty, including Born and Franck, and ten from the mathematics faculty left Göttingen.3 After the war, Richard Becker, who in 1936 had received a compulsory order to take the chair for theoretical physics vacant since Born’s emigration, and Friedrich Hund, who was also an enthusiastic historian of science, distinguished themselves as physics teachers there but the university as a whole never recovered its international standing of before 1933 (see Figs. 1 and 2).

Novel adhesive properties of poly(ethylene-oxide) adsorbed nanolayers

NASA Astrophysics Data System (ADS)

Zeng, Wenduo

Solid-polymer interfaces play crucial roles in the multidisciplinary field of nanotechnology and are the confluence of physics, chemistry, biology, and engineering. There is now growing evidence that polymer chains irreversibly adsorb even onto weakly attractive solid surfaces, forming a nanometer-thick adsorbed polymer layer ("adsorbed polymer nanolayers"). It has also been reported that the adsorbed layers greatly impact on local structures and properties of supported polymer thin films. In this thesis, I aim to clarify adhesive and tribological properties of adsorbed poly(ethylene-oxide) (PEO) nanolayers onto silicon (Si) substrates, which remain unsolved so far. The adsorbed nanolayers were prepared by the established protocol: one has to equilibrate the melt or dense solution against a solid surface; the unadsorbed chains can be then removed by a good solvent, while the adsorbed chains are assumed to maintain the same conformation due to the irreversible freezing through many physical solid-segment contacts. I firstly characterized the formation process and the surface/film structures of the adsorbed nanolayers by using X-ray reflectivity, grazing incidence X-ray diffraction, and atomic force microscopy. Secondly, to compare the surface energy of the adsorbed layers with the bulk, static contact angle measurements with two liquids (water and glycerol) were carried out using a optical contact angle meter equipped with a video camera. Thirdly, I designed and constructed a custom-built adhesion-testing device to quantify the adhesive property. The experimental results provide new insight into the microscopic structure - macroscopic property relationship at the solid-polymer interface.

Using Case Studies in the Teaching of Physical Principles

ERIC Educational Resources Information Center

Lowe, Ian

1975-01-01

Proposes the use of problems of the everyday world to motivate students to master basic physical principles. Cites the example of conversion of solar energy by a photovoltaic cell as a source of topics in electricity and solid state physics. (CP)

Case Study Applications in Chemistry Lesson: Gases, Liquids, and Solids

ERIC Educational Resources Information Center

Ayyildiz, Yildizay; Tarhan, Leman

2013-01-01

This study aims at investigating the effects of case studies developed by the researchers on Science Teaching students' understanding of "gases, liquids and solids," and their attitudes towards chemistry lessons. The study was conducted on 52 freshmen from the Department of Science Teaching at a university in Turkey. Pre-test and…

NASA Astrophysics Data System (ADS)

Schweber, Silvan S.

2014-06-01

Some facets of the life of Hans Bethe after World War II are presented to illustrate how Paul Forman's works, and in particular his various theses—on mathematics and physics in Wilhelmine and Weimar Germany, on physics in the immediate post-World War II period, and on postmodernity—have influenced my biography of Bethe. Some aspects of the history of post-World War II quantum field theory, of solid state/condensed matter physics, and of the development of neoliberalism—the commitment to the belief that the market knows best, to free trade, to enhanced privatization, and to a drastic reduction of the government's role in regulating the economy—are reviewed in order to make some observations regarding certain "top-down" views in solid state physics in postmodernity, the economic and cultural condition of many Western societies since the 1980s, the decade in which many historians assume modernity to have ended.

BOOK REVIEW: Solid State Physics: An Introduction

NASA Astrophysics Data System (ADS)

Jakoby, Bernhard

2009-07-01

There's a wealth of excellent textbooks on solid state physics. The author of the present book is well aware of this fact and does not attempt to write just another one. Rather, he has provided a very compact introduction to solid state physics for third-year students. As we are faced with the continuous appearance interdisciplinary fields and associated study curricula in natural and engineering sciences (biophysics, mechatronics, etc), a compact text in solid state physics would be appreciated by students of these disciplines as well. The book features 11 chapters where each is provided with supplementary discussion questions and problems. The first chapters deal with a review of chemical bonding mechanisms, crystal structures and mechanical properties of solids, which are brief but by no means superficial. The following, somewhat more detailed chapter on thermal properties of lattices includes a nice introduction to phonons. The foundations of solid state electronics are treated in the next three chapters. Here the author first discusses the classical treatment of electronic behaviour in metals (Drude model) and continues with a quantum-theoretical approach starting with the free-electron model and leading to the band structures in conductive solids. The next chapter is devoted to semiconductors and ends with a brief but, with respect to the topical scope, adequate discussion of semiconductor devices. The classical topics of magnetic and dielectric behaviour are treated in the sequel. The book closes with a chapter on superconductivity and a brief chapter covering the modern topics of quantum confinement and aspects of nanoscale physics. In my opinion, the author has succeeded in creating a very concise yet not superficial textbook. The account presented often probes subjects deep enough to lay the basis for a thorough understanding, preparing the reader for more specialized textbooks. For instance, I think that this book may serve as an excellent first introduction to semiconductor physics. Of course, the detailed treatment of some topics had to be spared and it is certainly a matter of taste which subjects should be treated in detail in a solid state textbook and which can be covered by references to other textbooks or further literature. A typical example for the latter is the decision to omit the detailed treatment of the local field concept leading to the Clausius-Mosotti relation. What could be improved in further editions (which will hopefully be coming) are more specific cross-references within the book and to other textbooks. In the current edition, missing internal cross-references can be compensated for by consulting the subject index, but it would be nicer to have these in the text. As mentioned above, I expect that this book will also be useful to engineering students. For these, it would be beneficial to provide more details on underlying terms and concepts that they, according to common engineering curricula, may not be that familiar with. Examples for such topics are quantum theory beyond the very first principles (e.g., multi-particle treatment, operators and observables) and thermodynamics (e.g., the relevance of electrochemical potential and Fermi levels). These topics could be treated in a concise manner in additional appendices. The current appendix is very short and rudimentary at times, e.g., for the microscopic form of Maxwell's equations, electric and magnetic fluxes are introduced but not outlined further (in that respect, it could also be useful to have a list of used symbols). In summary, this textbook definitely has an interesting scope within an established field and it has been written with appealing didactic skills. This first edition truly deserves to be discovered by students of various disciplines, who want to obtain a quick introduction to solid state physics.

Physical Chemistry in Practice: Evaluation of DVD Modules

ERIC Educational Resources Information Center

Dyer, James U.; Towns, Marcy; Weaver, Gabriela C.

2007-01-01

The Physical Chemistry in Practice (PCIP) DVD contains video programs (modules) and experimental data that present the research of scientists working in applications of physical chemistry. The DVD allows students to learn about cutting edge research in physical chemistry while making connections to the theoretical concepts learned in lecture.…

Global distribution of secondary organic aerosol particle phase state

NASA Astrophysics Data System (ADS)

Shiraiwa, M.; Li, Y., Sr.; Tsimpidi, A.; Karydis, V.; Berkemeier, T.; Pandis, S. N.; Lelieveld, J.; Koop, T.; Poeschl, U.

2016-12-01

Secondary organic aerosols (SOA) account for a large fraction of submicron particles in the atmosphere and play a key role in aerosol effects on climate, air quality and public health. The formation and aging of SOA proceed through multiple steps of chemical reaction and mass transport in the gas and particle phases, which is challenging for the interpretation of field measurements and laboratory experiments as well as accurate representation of SOA evolution in atmospheric aerosol models. SOA particles can adopt liquid, semi-solid and amorphous solid (glassy) phase states depending on chemical composition, relative humidity and temperature. The particle phase state is crucial for various atmospheric gas-particle interactions, including SOA formation, heterogeneous and multiphase reactions and ice nucleation. We found that organic compounds with a wide variety of functional groups fall into molecular corridors, characterized by a tight inverse correlation between molar mass and volatility. Based on the concept of molecular corridors, we develop a method to estimate glass transition temperatures based on the molar mass and molecular O:C ratio of SOA components, which is a key property for determination of particle phase state. We use the global chemistry climate model EMAC with the organic aerosol module ORACLE to predict the atmospheric SOA phase state. For the planetary boundary layer, global simulations indicate that SOA is mostly liquid in tropical and polar air with high relative humidity, semi-solid in the mid-latitudes, and solid over dry lands. We find that in the middle and upper troposphere (>500 hPa) SOA should be mostly in a glassy solid phase state. Thus, slow diffusion of water, oxidants, and organic molecules could kinetically limit gas-particle interactions of SOA in the free and upper troposphere, promote ice nucleation and facilitate long-range transport of reactive and toxic organic pollutants embedded within SOA.

Research program in nuclear and solid state physics

NASA Technical Reports Server (NTRS)

Stronach, C. E.

1973-01-01

The spectra of prompt gamma rays emitted following nuclear pion absorption were studied to determine the states of excited daughter nuclei, and the branching ratios for these states. Studies discussed include the negative pion absorption of C-12, S-32, and N-14; and the positive pion absorption on 0-16. Abstracts of papers submitted to the conference of the American Physical Society are included.

Reduction of Plutonium in Acidic Solutions by Mesoporous Carbons

DOE PAGES

Parsons-Moss, Tashi; Jones, Stephen; Wang, Jinxiu; ...

2015-12-19

Batch contact experiments with several porous carbon materials showed that carbon solids spontaneously reduce the oxidation state of plutonium in 1-1.5 M acid solutions, without significant adsorption. The final oxidation state and rate of Pu reduction varies with the solution matrix, and also depends on the surface chemistry and surface area of the carbon. It was demonstrated that acidic Pu(VI) solutions can be reduced to Pu(III) by passing through a column of porous carbon particles, offering an easy alternative to electrolysis with a potentiostat.

Transmission Line for 258 GHz Gyrotron DNP Spectrometry

NASA Astrophysics Data System (ADS)

Bogdashov, Alexandr A.; Belousov, Vladimir I.; Chirkov, Alexey V.; Denisov, Gregory G.; Korchagin, Vyacheslav V.; Kornishin, Sergey Yu.; Tai, Evgeny M.

2011-06-01

We describe the design and test results of the transmission line for liquid-state (LS) and solid-state (SS) DNP spectrometers with the second-harmonic 258.6 GHz gyrotron at the Institute of the Biophysical Chemistry Center of Goethe University (Frankfurt). The 13-meter line includes a mode converter, HE11 waveguides, 4 mitre bends, a variable polarizer-attenuator, directional couplers, a water-flow calorimeter and a mechanical switch. A microwave power of about 15 W was obtained in the pure HE11 mode at the spectrometer inputs.

Influence of drying restraint on physical and mechanical properties of nanofibrillated cellulose films

Treesearch

Carlos Baez; John Considine; Robert Rowlands

2014-01-01

Nanofibrillated cellulose (NFC) is a renewable and biodegradable fibril that possesses high strength and stiffness resulting from high level hydrogen bonding. Films made from NFC shrink and distort as they transition from a wet state (20 wt% solids) to a state of moisture equilibrium (90 wt% solids at 50 % RH, 23 °C). Material distortions are driven by development of...

The Origins and Evolution of Molecules in Icy Solids

NASA Technical Reports Server (NTRS)

Hudson, Reggie L.; Moore, Marla H.

2010-01-01

Astronomical observations of the past few decades have revealed the existence of a variety of molecules in extraterrestrial ices. These molecules include H2O, CO, and CO2, and organics such as CH4, CH30H, and C2H6. Some ices are dominated by polar molecules, while non-polar species appear to dominate others. Observations, mainly in the radio and IR regions, have allowed the inference of other solid-phase molecules whose formation remains difficult to explain by gas-phase chemistry alone. Several laboratory research groups have reported on extensive experiments on the solid-phase reaction chemistry of icy materials, generally as initiated by either ionizing radiation or vacuum-UV photons. These experiments not only permit molecular identifications to be made from astronomical observations, but also allow predictions of yet unidentified molecules. This laboratory approach has evolved over more than 30 years with much of the earliest work focusing on complex mixtures thought to represent either cometary or interstellar ices. Although those early experiments documented a rich solid-state photo- and radiation chemistry, they revealed few details of reactions for particular molecules, partly due to the multi-component nature of the samples. Since then, model systems have been examined that allow the chemistry of individual species and specific reactions to be probed. Reactions involving most of the smaller astronomical molecules have now been studied and specific processes identified. Current laboratory work suggests that a variety of reactions occur in extraterrestrial ices, including acid-base processes, radical dimerizations, proton transfers, oxidations, reductions, and isomerizations. This workshop presentation will focus on chemical reactions relevant to solar system and interstellar ices. While most of the work will be drawn from that to which the speaker has contributed, results from other laboratories also will be included. Suggestions for future studies will be made, with an emphasis on some present deficiencies. The speaker's work has been generously supported by these NASA research programs: Cassini Data Analysis, Exobiology, Mars Fundamental Research, Outer Planets Research, Planetary Atmospheres, Planetary Geology and Geophysics, and the NASA Astrobiology Institute.

Crystal Engineering: From Molecules to Products

ERIC Educational Resources Information Center

Doherty, Michael F.

2006-01-01

Particle production and solids processing are essential components of the contemporary process industries. Crystalline solids represent a large and important segment of this manufacturing sector. Chemical engineers, especially in the United States, have historically abandoned this subject, leaving it to pharmacists, physical chemists, material…

Diamond Deposition and Defect Chemistry Studied via Solid State NMR

DTIC Science & Technology

1994-06-30

system can be found elsewhere (121. The flame characteristics depend on a number of parameters . The flame conditions depend on (a) equivalence ratio...b) pressure, (c) cold gas velocity, and (d) diluent. The effect of the various parameters are described briefly. This quantity describes the carbon...important parameter that must be controlled carefully. Many chemical processes in flames, including those in which collision activation or stabilization

Imaging Prostate Cancer Microenvironment by Collagen Hybridization

DTIC Science & Technology

2013-10-01

There is an emerging concept of using non-cellular solid state compartment as a source for therapeutic targets and for selective imaging of micro ... using second harmonic generation and two-photon micros - copy. J. Biomed. Opt. 14, 044013. Bioconjugate Chemistry Communication dx.doi.org/10.1021...Chiu WC, Lai CC, Liou GG, Li HC, Chou MY: Production of multivalent protein binders using a self- trimerizing collagen-like peptide scaffold. FASEB J

Molecular-level characterization of the structure and the surface chemistry of periodic mesoporous organosilicates using DNP-surface enhanced NMR spectroscopy.

PubMed

Grüning, Wolfram R; Rossini, Aaron J; Zagdoun, Alexandre; Gajan, David; Lesage, Anne; Emsley, Lyndon; Copéret, Christophe

2013-08-28

We present the molecular level characterization of a phenylpyridine-based periodic mesoporous organosilicate and its post-functionalized organometallic derivatives through the fast acquisition of high quality natural isotopic abundance 1D (13)C, (15)N, and (29)Si and 2D (1)H-(13)C and (1)H-(29)Si solid-state NMR spectra enhanced with dynamic nuclear polarization.

Solid State Research

DTIC Science & Technology

1989-03-07

different regions of a single wafer, making possible multiwavelength optical intercon- nect technology. 6. ANALOG DEVICE TECHNOLOGY Superconducting...Sedlacek DJ. Ehrlich Monolithic Integration of H.K.. Choi GaAs/AlGaAs LED and Si Driver J.P. Mattia Circuit G.W. Turner B-Y. Tsaur An In-Situ...Study of the UV Photo- chemistry of Adsorbed TiCl4 by FTIR Spectroscopy R.P. Purohit M. Rothschild DJ. Ehrlich 6176 Transport and Kinetics

Paul Hagenmüller's contribution to solid state chemistry: A scientometric analysis

NASA Astrophysics Data System (ADS)

El Aichouchi, Adil; Gorry, Philippe

2018-06-01

Paul Hagenmüller (1921-2017) is an important figure of French solid-state chemistry, who enjoyed scientific and institutional recognition. He published 796 papers and has been cited more than 16,000 times. This paper explores Hagenmüller's work using scientometric analysis to reveal the impact of his work, his main research topics and his collaborations. Although Hagenmüller was a recognized scientist, a subset of his work, now highly cited, attracted little attention at the time of publication. To understand this phenomenon, we detect and study papers with delayed recognition, also called 'Sleeping Beauties' (SBs). In scientometrics, SBs are publications that go unnoticed, or 'sleep' for a long time before suddenly attracting a lot of attention in terms of citations. We identify 7 SBs published between 1965 and 1985, and awakened between 1993 and 2010. The first SB reports the discovery of the clathrate structure of silicon. The second reports the isolation of four new phases with the formula NaxCoO2 (x < =1). The five other SBs investigate the electrochemical intercalation and deintercalation of sodium, and the structure and properties of layered oxides. Through interviews with his coworkers, we attempt to identify the reasons for the delayed recognition and the context of the renewed interest in those papers.

Radical-induced chemistry from VUV photolysis of interstellar ice analogues containing formaldehyde

NASA Astrophysics Data System (ADS)

Butscher, Teddy; Duvernay, Fabrice; Danger, Grégoire; Chiavassa, Thierry

2016-09-01

Surface processes and radical chemistry within interstellar ices are increasingly suspected to play an important role in the formation of complex organic molecules (COMs) observed in several astrophysical regions and cometary environments. We present new laboratory experiments on the low-temperature solid state formation of complex organic molecules - glycolaldehyde, ethylene glycol, and polyoxymethylene - through radical-induced reactivity from VUV photolysis of formaldehyde in water-free and water-dominated ices. Radical reactivity and endogenous formation of COMs were monitored in situ via infrared spectroscopy in the solid state and post photolysis with temperature programmed desorption (TPD) using a quadripole mass spectrometer. We show the ability of free radicals to be stored when formed at low temperature in water-dominated ices, and to react with other radicals or on double bonds of unsaturated molecules when the temperature increases. It experimentally confirms the role of thermal diffusion in radical reactivity. We propose a new pathway for formaldehyde polymerisation induced by HCO radicals that might explain some observations made by the Ptolemy instrument on board the Rosetta lander Philae. In addition, our results seem to indicate that H-atom additions on H2CO proceed preferentially through CH2OH intermediate radicals rather than the CH3O radical.

Characterization of the relationship of the cure cycle chemistry to cure cycle processing properties

NASA Technical Reports Server (NTRS)

Kranbuehl, D. E.

1986-01-01

Dynamic Dielectric measurements made over a wide range of frequency provide a sensitive and convenient means for monitoring the cure process in thermosets and thermoplastics. The measurement of dielectric relaxation is one of only a few instrumental techniques available for studying molecular properties in both the liquid and solid states. Furthermore, it is probably the only convenient experimental technique for studying the polymerization process of going from a monomeric liquid of varying viscosity to a crosslinked, insoluble, high temperature solid. The objective of the research is to develop on-line dielectric instrumentation for quantitative nondestructive material evaluation and closed loop smart cure cycle control. The key is to relate the chemistry of the cure cycle process to the dielectric properties of the polymer system by correlating the time, temperature, and frequency dependent dielectric measurements with chemical characterization measurements. Measurement of the wide variation in magnitude of the complex permittivity with both frequency and state of cure, coupled with chemical characterization work, have been shown in the laboratory to have the potential to determine: resin quality, composition and age; cure cycle window boundaries; onset of flow and point of maximum flow; extent of and completion of reaction; evolution of volatiles; T sub g; and, crosslinking and molecular weight buildup.

Formation of the racemic compound of ephedrine base from a physical mixture of its enantiomers in the solid, liquid, solution, or vapor state.

PubMed

Duddu, S P; Grant, D J

1992-08-01

Physical mixtures (conglomerates) of the two enantiomers of ephedrine base, each containing 0.5% (w/w) of water, were observed to be converted to the 1:1 racemic compound in the solid, liquid, solution, or vapor state. From a geometrically mixed racemic conglomerate of particle size 250-300 microns (50-60 mesh), the formation of the racemic compound follows second-order kinetics (first order with respect to each enantiomer), with a rate constant of 392 mol-1 hr-1 at 22 degrees C. The reaction appears to proceed via the vapor phase as indicated by the growth of the crystals of the racemic compound between diametrically separated crystals of the two enantiomers in a glass petri dish. The observed kinetics of conversion in the solid state are explained by a homogeneous reaction model via the vapor and/or liquid states. Formation of the racemic compound from the crystals of ephedrine enantiomers in the solution state may explain why Schmidt et al. (Pharm. Res. 5:391-395, 1988) observed a consistently lower aqueous solubility of the mixture than of the pure enantiomers. The solid phase in equilibrium with the solution at the end of the experiment was found to be the racemic compound, whose melting point and heat of fusion are higher than those of the enantiomers. An association reaction, of measurable rate, between the opposite enantiomers in a binary mixture in the solid, liquid, solution, or vapor state to form the racemic compound may be more common than is generally realized.

Investigating the Crystallization Propensity of Structurally Similar Organic Molecules From Amorphous State

NASA Astrophysics Data System (ADS)

Kalra, Arjun

Combinatorial chemistry and high-throughput screening approaches utilized during drug discovery have resulted in many potent pharmacologically active molecules with low aqueous solubility and consequently poor bioavailability. Enabling technologies, such as amorphous solid dispersions (ASD's), can obviate these challenges and provide an efficient route to formulate the drug as an oral solid dosage form. However, high-energy amorphous materials have an inherent tendency to crystallize and in doing so can negate the apparent solubility advantage achieved by using such formulations. Crystallization can occur during (1) cooling the drug molecule from the melt state (such as during hot melt extrusion); (2) during storage of an amorphous formulation; (3) during pharmaceutical processing unit operations such as compression, granulation etc. Current knowledge with regards to the relationship between crystallization propensity of an active pharmaceutical ingredient (API) from the amorphous state (supercooled liquid and glass) and its thermodynamic, kinetic and molecular properties is limited. Furthermore, examining the mechanistic steps involved in crystallization of organic molecules under conditions of supercooling provides an opportunity to examine supramolecular aggregation events occurring during early stages of crystallization. Studying crystallization mechanism from amorphous state is important for pharmaceutical formulation development because a molecular-level understanding of the crystallization process would provide clues regarding the intermolecular interactions at the early stages of nucleation and help in rational selection of polymeric excipients to hinder such events. The primary goal of this research is to develop an understanding of phase transition from amorphous pharmaceuticals, specifically focusing on the role of thermodynamic, kinetic and molecular properties of a series of structurally similar compounds. It is hypothesized that the there exists a link between thermodynamics quantities, kinetic properties, molecular interactions and glass forming ability. Furthermore, it is hypothesized that the molecular heterogeneity in supercooled liquids and glassy state, manifested through intermolecular interactions and conformational flexibility impacts the observed crystallization behavior. Understanding the phase transition kinetics and mechanism of crystallization from amorphous pharmaceuticals is critical for development of stable formulations for drug delivery. The specific goals of this research include: (1) Investigating the link between thermodynamic and kinetic factors affecting the crystallization propensity of organic compounds from supercooled liquid state. (2) Evaluating the role of intermolecular interactions and conformational distribution on glass forming ability and stability. (3) Examining the relationship between supramolecular aggregates present in glassy state and polymorphic outcome. It is believed that successful completion of this research will provide a fundamental understanding of amorphous solid-state chemistry as well as provide useful tools for the implementation of ASD's as solid oral dosage forms.

A Simple Experiment in the Separation of a Solid-Phase Mixture and Infrared Spectroscopy for Introductory Chemistry

ERIC Educational Resources Information Center

Szalay, Paul S.

2008-01-01

This experiment was developed as a means of incorporating instrumental analyses into an introductory chemistry laboratory. A two-component solid mixture of caffeine and ibuprofen is separated through a series of solution extractions and precipitation and their relative amounts measured. These compounds were chosen because the combination of…

The Physical Sciences. Report of the National Science Board Submitted to the Congress.

ERIC Educational Resources Information Center

Handler, Philip

Recent advances in the physical sciences, including astronomy, chemical synthesis, chemical dynamics, solid-state sciences, atomic and nuclear science, and elementary particles and high-energy physics are summarized in this report to Congress. The nature of physical science, including its increasing unity, the relationship between science and…

Basic Research in the United States.

ERIC Educational Resources Information Center

Handler, Philip

1979-01-01

Presents a discussion of the development of basic research in the U.S. since World War II. Topics include the creation of the federal agencies, physics and astronomy, chemistry, earth science, life science, the environment, and social science. (BB)

A Rechargeable Al/S Battery with an Ionic-Liquid Electrolyte.

PubMed

Gao, Tao; Li, Xiaogang; Wang, Xiwen; Hu, Junkai; Han, Fudong; Fan, Xiulin; Suo, Liumin; Pearse, Alex J; Lee, Sang Bok; Rubloff, Gary W; Gaskell, Karen J; Noked, Malachi; Wang, Chunsheng

2016-08-16

Aluminum metal is a promising anode material for next generation rechargeable batteries owing to its abundance, potentially dendrite-free deposition, and high capacity. The rechargeable aluminum/sulfur (Al/S) battery is of great interest owing to its high energy density (1340 Wh kg(-1) ) and low cost. However, Al/S chemistry suffers poor reversibility owing to the difficulty of oxidizing AlSx . Herein, we demonstrate the first reversible Al/S battery in ionic-liquid electrolyte with an activated carbon cloth/sulfur composite cathode. Electrochemical, spectroscopic, and microscopic results suggest that sulfur undergoes a solid-state conversion reaction in the electrolyte. Kinetics analysis identifies that the slow solid-state sulfur conversion reaction causes large voltage hysteresis and limits the energy efficiency of the system. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Magnetic separation: its application in mining, waste purification, medicine, biochemistry and chemistry.

PubMed

Iranmanesh, M; Hulliger, J

2017-10-02

The use of strong magnetic field gradients and high magnetic fields generated by permanent magnets or superconducting coils has found applications in many fields such as mining, solid state chemistry, biochemistry and medical research. Lab scale or industrial implementations involve separation of macro- and nanoparticles, cells, proteins, and macromolecules down to small molecules and ions. Most promising are those attempts where the object to be separated is attached to a strong magnetic nanoparticle. Here, all kinds of specific affinity interactions are used to attach magnetic carrier particles to mainly objects of biological interest. Other attempts use a strong paramagnetic suspension for the separation of purely diamagnetic objects, such as bio-macromolecules or heavy metals. The application of magnetic separation to superconducting inorganic phases is of particular interest in combination with ceramic combinatorial chemistry to generate a library of e.g. cuprate superconductors.

International Conference on Chemistry and Physics of Electrified Interfaces Solid/Electrolyte and Biological Systems: Extended Abstracts and Programme Held in Bologna, Italy on 29 August - 2 September 1988

DTIC Science & Technology

1988-09-01

Consiglio del Kiistri (propasta IRS!) Proviucia di Bologna Regions iallia-R0555na Societa Chimica Italisna (SD SocietA Italians, di Fisica U.S. Azy... Fisica , Universidad de Alicante, Apartado 99, 03080 Alicante (SPAIN); * Laboratoire d’Electrochimie Interfaciale, 1 P. Aristide Briand, 92195 Meudon...CNRS n*350, Universit& de Poitiers, 40, avenue du Recteur Pineau, 86022 - POITIERS , France, J-L. VAZQUEZ and A. ALDAZ, Departamento de Quimica Fisica

Fate of Trace Metals in Anaerobic Digestion.

PubMed

Fermoso, F G; van Hullebusch, E D; Guibaud, G; Collins, G; Svensson, B H; Carliell-Marquet, C; Vink, J P M; Esposito, G; Frunzo, L

2015-01-01

A challenging, and largely uncharted, area of research in the field of anaerobic digestion science and technology is in understanding the roles of trace metals in enabling biogas production. This is a major knowledge gap and a multifaceted problem involving metal chemistry; physical interactions of metal and solids; microbiology; and technology optimization. Moreover, the fate of trace metals, and the chemical speciation and transport of trace metals in environments--often agricultural lands receiving discharge waters from anaerobic digestion processes--simultaneously represents challenges for environmental protection and opportunities to close process loops in anaerobic digestion.

A Computational Examination of Detonation Physics and Blast Chemistry

DTIC Science & Technology

2011-08-01

State 5 3 Detonation and Shock Hugoniots for TNT using the JWL Equation of State 6 4 Detonation and Shock Hugoniots for HMX using the JWL ...Equation of State 6 5 Detonation and Shock Hugoniots for Composition C-4 using the JWL Equation of State 7 6 Detonation and Shock...Hugoniots for PBX-9502 using the JWL Equation of State 7 7 Detonation and Shock Hugoniots for PETN using the JWL Equation of State 8 8

A Computational Examination of Detonation Physics and Blast Chemistry

DTIC Science & Technology

2011-08-01

Equation of State 5 3 Detonation and Shock Hugoniots for TNT using the JWL Equation of State 6 4 Detonation and Shock Hugoniots for HMX using the... JWL Equation of State 6 5 Detonation and Shock Hugoniots for Composition C-4 using the JWL Equation of State 7 6 Detonation and...Shock Hugoniots for PBX-9502 using the JWL Equation of State 7 7 Detonation and Shock Hugoniots for PETN using the JWL Equation of State 8

A coordination chemistry study of hydrated and solvated cationic vanadium ions in oxidation states +III, +IV, and +V in solution and solid state

PubMed Central

Krakowiak, Joanna; Lundberg, Daniel

2012-01-01

The coordination chemistry of hydrated and solvated vanadium(III), oxovanadium(IV), and dioxovanadium(V) ions in the oxygen donor solvents water, dimethylsulfoxide (dmso) and N,N′-dimethylpropyleneurea (dmpu) has been studied in solution by EXAFS and large angle X-ray scattering (LAXS) and in solid state by single crystal X-ray diffraction and EXAFS. The hydrated vanadium(III) ion has a regular octahedral configuration with a mean V-O bond distance of 1.99 Å. In the hydrated and dimethylsulfoxide solvated oxovanadium(IV) ions vanadium binds strongly to an oxo group at ca. 1.6 Å. The solvent molecule trans to the oxo group is very weakly bound, at ca. 2.2 Å, while the remaining four solvent molecules, with a mean V-O bond distance of 2.0 Å, form a plane slightly below the vanadium atom; the mean O=V-Operp bond angle is ca. 98°. In the dmpu solvated oxovanadium(IV) ion, the space demanding properties of the dmpu molecule leaving no solvent molecule in the trans position to the oxo group which reduces the coordination number to 5. The O=V-O bond angle is consequently much larger, 106°, and the mean V=O and V-O bond distances decrease to 1.58 and 1.97 Å, respectively. The hydrated and dimethylsulfoxide solvated dioxovanadium(V) ions display a very distorted octahedral configuration with the oxo groups in cis position with mean V=O bond distances of 1.6 Å and a O=V=O bond angle of ca. 105°. The solvent molecules trans to the oxo groups are weakly bound, at ca. 2.2 Å, while the remaining two have bond distances of 2.02 Å. The experimental studies of the coordination chemistry of hydrated and solvated vanadium(III,IV,V) ions are complemented by summarizing previously reported crystal structures to yield a comprehensive description of the coordination chemistry of vanadium with oxygen donor ligands. PMID:22950803

Is glutamine deficiency the link between inflammation, malnutrition, and fatigue in cancer patients?

PubMed

Schlemmer, Marcus; Suchner, Ulrich; Schäpers, Barbara; Duerr, Eva-Maria; Alteheld, Birgit; Zwingers, Thomas; Stehle, Peter; Zimmer, Heinz-Gerd

2015-12-01

Evaluation of potential associations between plasma glutamine levels and the incidence of cancer related fatigue, physical performance, poor nutritional status, and inflammation in patients with solid tumors. Mono-center cross-sectional study recruiting 100 (34 women) consecutive patients (September 2009-March 2011; ≥18 y) with solid tumors and causal tumor therapy. Fasting venous blood was harvested for routine clinical chemistry, amino acid (HPLC) and inflammation marker analyses. Clinical assessments included global, physical, affective and cognitive fatigue (questionnaire) and Karnofsky performance status. Nutritional status was evaluated using bioelectrical impedance analysis, the Prognostic Inflammatory and Nutritional Index and plasma protein levels. Regression analyses were performed to correlate continuous variables with plasma glutamine (95% confidence intervals). Nutritional status was impaired in 19% of the patients. Average plasma glutamine concentration (574.0 ± 189.6 μmol/L) was within normal range but decreased with impaired physical function. Plasma glutamine was linked to the ratio extracellular to body cell mass (p < 0.044), CRP (p < 0.001), physical (p = 0.014), affective (p = 0.041), and global fatigue (p = 0.030). Markers of inflammation increased with low physical performance. The data support our working hypothesis that in cancer patients systemic inflammation maintains a catabolic situation leading to malnutrition symptoms and glutamine deprivation, the latter being associated with cancer related fatigue. Copyright © 2015 Elsevier Ltd and European Society for Clinical Nutrition and Metabolism. All rights reserved.

Book Notes: College Chemistry Faculties 1996, 10th ed.

NASA Astrophysics Data System (ADS)

Kauffman, George B.

1998-02-01

This comprehensive directory of the most current information on two-, three-, and four-year college and university teachers of chemistry, biochemistry, biotechnology, chemical engineering, chemical technology, medicinal chemistry, and other chemistry-related fields in the United States, its territories, and Canada will be of great use and interest not only to chemistry faculty members but to graduate and undergraduate students, librarians, and departmental secretaries as well. For each of the more than 2,150 academic departments devoted to these disciplines the entire staffs (except for emeriti, emeritae, adjunct, or visiting professors; persons on temporary appointment; postdoctoral fellows; research associates; or graduate students) are listed, along with major teaching fields, highest degree earned, and academic rank. Other departments, such as biology or physical science, in which these disciplines are taught are also included, but only persons who teach chemistry or related subjects are listed for these departments.

Improving the Stability and the Pharmaceutical Properties of Norfloxacin Form C Through Binary Complexes with β-Cyclodextrin.

PubMed

Garnero, Claudia; Chattah, Ana Karina; Aloisio, Carolina; Fabietti, Luis; Longhi, Marcela

2018-05-10

Norfloxacin, an antibiotic that exists in different solid forms, has very unfavorable properties in terms of solubility and stability. Binary complexes of norfloxacin, in the solid form C, and β-cyclodextrin were procured by the kneading method and physical mixture. Their effect on the solubility, the dissolution rate, and the chemical and physical stability of norfloxacin was evaluated. To perform stability studies, the solid samples were stored under accelerated storage conditions, for a period of 6 months. Physical stability was monitored through powder X-ray diffraction, high-resolution 13 C solid-state nuclear magnetic resonance, and scanning electron microscopy. The results showed evidence that the kneaded complex increased and modulated the dissolution rate of norfloxacin C. Furthermore, it was demonstrated that the photochemical stability was increased in the complex, without affecting its physical stability. The results point to the conclusion that the new kneading complex of norfloxacin constitutes an alternative tool to formulate a potential oral drug delivery system with improve oral bioavailability.

Solid State Surfaces and Interfaces VIII

NASA Astrophysics Data System (ADS)

Pincik, Emil

2014-09-01

The conference SSSI VIII (November 25-28, 2013) was the 8th continuation of the series of the Solid State Surfaces and Interfaces conferences taking place usually in the Smolenice castle in the western part of the Slovak Republic. The event was organized by the following institutions of Slovak Republic: Institute of Physics of SAS Bratislava, Institute of Aurel Stodola of University of Žilina, and Faculty of Mathematics, Physics and Informatics of Comenius University Bratislava. More than 150 scientists of the three continents (Europe, Asia and Africa) participated on the event with almost 100 poster presentations. The representatives of all organizing institutions consider this event as very important for Middle Europe region.

75 FR 14565 - NIST Summer Institute for Middle School Science Teachers; Availability of Funds

Federal Register 2010, 2011, 2012, 2013, 2014

2010-03-26

...), including, but not limited to, earth science, physical science, chemistry, physics, and/or biology. This... science, physical science, chemistry, physics and/or biology. NIST will award funding that will support... instruction in general science fields including earth science, physical science, chemistry, physics, and/or...

Fusing a Reversed and Informal Learning Scheme and Space: Student Perceptions of Active Learning in Physical Chemistry

ERIC Educational Resources Information Center

Donnelly, Julie; Hernández, Florencio E.

2018-01-01

Physical chemistry students often have negative perceptions and low expectations for success in physical chemistry, attitudes that likely affect their performance in the course. Despite the results of several studies indicating increased positive perception of physical chemistry when active learning strategies are used, a recent survey of faculty…

Characterization of melt-quenched and milled amorphous solids of gatifloxacin.

PubMed

Hattori, Yusuke; Suzuki, Ayumi; Otsuka, Makoto

2016-11-01

The objectives of this study were to characterize and investigate the differences in amorphous states of gatifloxacin. We prepared two types of gatifloxacin amorphous solids coded as M and MQ using milling and melt-quenching methods, respectively. The amorphous solids were characterized via X-ray diffraction (XRD), nonisothermal differential scanning calorimetry (DSC) and time-resolved near-infrared (NIR) spectroscopy. Both the solids displayed halo XRD patterns, the characteristic of amorphous solids; however, in the non-isothermal DSC profiles, these amorphous solids were distinguished by their crystallization and melting temperatures. The Kissinger-Akahira-Sunose plots of non-isothermal crystallization temperatures at various heating rates indicated a lower activation energy of crystallization for the amorphous solid M than that of MQ. These results support the differentiation between two amorphous states with different physical and chemical properties.

Spin Crossover in Solid and Liquid (Mg,Fe)O at Extreme Conditions

NASA Astrophysics Data System (ADS)

Stixrude, L. P.; Holmstrom, E.

2016-12-01

Ferropericlase, (Mg,Fe)O, is a major constituent of the Earth's lowermantle (24-136 GPa). Understanding the properties of this component is importantnot only in the solid state, but also in the molten state, as theplanet almost certainly hosted an extensive magma ocean initiallyWith increasing pressure, the Fe ions in the material begin to collapse from a magnetic to a nonmagnetic spin state. This crossover affects thermodynamic, transport, and electrical properties.Using first-principles molecular dynamics simulations,thermodynamic integration, and adiabatic switching, we present a phasediagram of the spin crossover In both solid and liquid, we find a broad pressure range of coexisting magnetic and non-magnetic ions due to the favorable enthalpy of mixing of the two. In the solid increasingtemperature favors the high spin state, while in the liquid the oppositeoccurs, due to the higher electronic entropy of the low spin state. Becausethe physics of the crossover differ in solid and liquid, melting produces a large change in spin state that may affect the buoyancy of crystals freezing from the magma ocean in the earliest Earth.

Physical and Biological Modes of Thought in the Chemistry of Linus Pauling

NASA Astrophysics Data System (ADS)

Nye, Mary Jo

No figure in modern chemistry better exemplifies than Linus Pauling (1901-1994) the intersections of the scientific disciplines of chemistry, physics, and biology nor the roles of physical and biological modes of thought in the 'central science' of chemistry.

Interface-Driven Phenomena in Solids: Thermodynamics, Kinetics and Chemistry

DOE PAGES

Abdeljawad, Fadi; Foiles, Stephen M.

2016-05-04

The study of materials interfaces dates back over a century. In solid systems and from an engineering perspective, free surfaces and internal (grain and/or phase) boundaries influence a wide range of properties, such as thermal, electrical and optical transport, and mechanical ones. The properties and the role of interfaces has been discussed extensively in various reviews such as by Sutton and Balluffi. As the characteristic feature size of a materials system (i.e., grain size) is decreased to the nanometer scale, interface-driven physics is expected to dominate due to the increased density of such planar defects. Moreover, interfacial attributes, thermodynamics, andmore » mobility play a key role in phase transformations, such as solidification dynamics and structural transitions in solids, and in homogenization and microstructural evolution processes, such as grain growth, coarsening, and recrystallization. In summary, the set of articles published in this special topic titled: “Interface-Driven Phenomena in Solids: Thermodynamics, Kinetics and Chemistry” covers topics related to microstructure evolution, segregation/adsorption phenomena and interface interactions with other materials defects.« less

Interface-Driven Phenomena in Solids: Thermodynamics, Kinetics and Chemistry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abdeljawad, Fadi; Foiles, Stephen M.

The study of materials interfaces dates back over a century. In solid systems and from an engineering perspective, free surfaces and internal (grain and/or phase) boundaries influence a wide range of properties, such as thermal, electrical and optical transport, and mechanical ones. The properties and the role of interfaces has been discussed extensively in various reviews such as by Sutton and Balluffi. As the characteristic feature size of a materials system (i.e., grain size) is decreased to the nanometer scale, interface-driven physics is expected to dominate due to the increased density of such planar defects. Moreover, interfacial attributes, thermodynamics, andmore » mobility play a key role in phase transformations, such as solidification dynamics and structural transitions in solids, and in homogenization and microstructural evolution processes, such as grain growth, coarsening, and recrystallization. In summary, the set of articles published in this special topic titled: “Interface-Driven Phenomena in Solids: Thermodynamics, Kinetics and Chemistry” covers topics related to microstructure evolution, segregation/adsorption phenomena and interface interactions with other materials defects.« less

Advanced Organic Solid States Materials. Volume 173. Materials Research Society Symposium Proceedings

DTIC Science & Technology

1990-08-08

for their collaboration in synthetic study. We also thank Prof. N. Kasai and Dr. Y. Kai for their collaboration in X - ray crystallographic study. We...substantially with the increasing amount of doping as monitored by the powder x - ray diffraction. After doping the sample was kept for at least one day...physical properties at different oxidation states in solution and in the solid state of tEDTB complexed with TCNQF4. The X ray crystal structure of

On the relationship between income, fertility rates and the state of democracy in society

NASA Astrophysics Data System (ADS)

Hutzler, S.; Sommer, C.; Richmond, P.

2016-06-01

Empirical data for 145 countries shows a strong correlation between the gross national income per capita and the political form of their governance, as specified by the so-called democracy index. We interpret this relationship in analogy to phase transitions between different states of matter, using concepts of statistical physics. Fertility rates play the role of binding energy in solid state physics.

Effect of milling conditions on solid-state amorphization of glipizide, and characterization and stability of solid forms.

PubMed

Xu, Kailin; Xiong, Xinnuo; Zhai, Yuanming; Wang, Lili; Li, Shanshan; Yan, Jin; Wu, Di; Ma, Xiaoli; Li, Hui

2016-09-10

In this study, the amorphization of glipizide was systematically investigated through high-energy ball milling at different temperatures. The results of solid-state amorphization through milling indicated that glipizide underwent direct crystal-to-glass transformation at 15 and 25°C and crystal-to-glass-to-crystal conversion at 35°C; hence, milling time and temperature had significant effects on the amorphization of glipizide, which should be effectively controlled to obtain totally amorphous glipizide. Solid forms of glipizide were detailedly characterized through analyses of X-ray powder diffraction, morphology, thermal curves, vibrational spectra, and solid-state nuclear magnetic resonance. The physical stability of solid forms was investigated under different levels of relative humidity (RH) at 25°C. Forms I and III are kinetically stable and do not form any new solid-state forms at various RH levels. By contrast, Form II is kinetically unstable, undergoing direct glass-to-crystal transformation when RH levels higher than 32.8%. Therefore, stability investigation indicated that Form II should be stored under relatively dry conditions to prevent rapid crystallization. High temperatures can also induce the solid-state transformation of Form II; the conversion rate increased with increasing temperature. Copyright © 2016 Elsevier B.V. All rights reserved.

Ecological literacy through critical/place-based pedagogy in the environmental studies program at a small liberal arts college

NASA Astrophysics Data System (ADS)

Beeman-Cadwallader, Nicole

In 2007 Pioneer High School, a public school in Whittier, California changed the sequence of its science courses from the Traditional Biology-Chemistry-Physics (B-C-P) to Biology-Physics-Chemistry (B-P-C), or "Physics Second." The California Standards Tests (CSTs) scores in Physics and Chemistry from 2004-2012 were used to determine if there were any effects of the Physics Second sequencing on student achievement in those courses. The data was also used to determine whether the Physics Second sequence had an effect on performance in Physics and Chemistry based on gender. Independent t tests and chi-square analysis of the data determined an improvement in student performance in Chemistry but not Physics. The 2x2 Factorial ANOVA analysis revealed that in Physics male students performed better on the CSTs than their female peers. In Chemistry, it was noted that male and female students performed equally well. Neither finding was a result ofthe change to the "Physics Second" sequencing.

Divalent and trivalent gas-phase coordination complexes of californium: evaluating the stability of Cf(II)

DOE PAGES

Dau, Phuong D.; Shuh, David K.; Sturzbecher-Hoehne, Manuel; ...

2016-07-07

The divalent oxidation state is increasingly stable relative to the trivalent state for the later actinide elements, with californium the first actinide to exhibit divalent chemistry under moderate conditions. Although there is evidence for divalent Cf in solution and solid compounds, there are no reports of discrete complexes in which Cf II is coordinated by anionic ligands. Described here is the divalent Cf methanesulfinate coordination complex, Cf II(CH 3SO 2) 3-, prepared in the gas phase by reductive elimination of CH 3SO 2 from Cf III(CH 3SO 2) 4-. Comparison with synthesis of the corresponding Sm and Cm complexes revealsmore » reduction of CfIII and SmIII, and no evidence for reduction of Cm III. This reflects the comparative 3+/2+ reduction potentials: Cf 3+ (-1.60 V) ≈ Sm 3+ (-1.55 V) >> Cm 3+ (-3.7 V). Association of O 2 to the divalent complexes is attributed to formation of superoxides, with recovery of the trivalent oxidation state. Lastly, the new gas-phase chemistry of californium, now the heaviest element to have been studied in this manner, provides evidence for Cf II coordination complexes and similar chemistry of Cf and Sm.« less

Divalent and trivalent gas-phase coordination complexes of californium: evaluating the stability of Cf(II)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dau, Phuong D.; Shuh, David K.; Sturzbecher-Hoehne, Manuel

The divalent oxidation state is increasingly stable relative to the trivalent state for the later actinide elements, with californium the first actinide to exhibit divalent chemistry under moderate conditions. Although there is evidence for divalent Cf in solution and solid compounds, there are no reports of discrete complexes in which Cf II is coordinated by anionic ligands. Described here is the divalent Cf methanesulfinate coordination complex, Cf II(CH 3SO 2) 3-, prepared in the gas phase by reductive elimination of CH 3SO 2 from Cf III(CH 3SO 2) 4-. Comparison with synthesis of the corresponding Sm and Cm complexes revealsmore » reduction of CfIII and SmIII, and no evidence for reduction of Cm III. This reflects the comparative 3+/2+ reduction potentials: Cf 3+ (-1.60 V) ≈ Sm 3+ (-1.55 V) >> Cm 3+ (-3.7 V). Association of O 2 to the divalent complexes is attributed to formation of superoxides, with recovery of the trivalent oxidation state. Lastly, the new gas-phase chemistry of californium, now the heaviest element to have been studied in this manner, provides evidence for Cf II coordination complexes and similar chemistry of Cf and Sm.« less

State of the art of environmentally friendly sample preparation approaches for determination of PBDEs and metabolites in environmental and biological samples: A critical review.

PubMed

Berton, Paula; Lana, Nerina B; Ríos, Juan M; García-Reyes, Juan F; Altamirano, Jorgelina C

2016-01-28

Green chemistry principles for developing methodologies have gained attention in analytical chemistry in recent decades. A growing number of analytical techniques have been proposed for determination of organic persistent pollutants in environmental and biological samples. In this light, the current review aims to present state-of-the-art sample preparation approaches based on green analytical principles proposed for the determination of polybrominated diphenyl ethers (PBDEs) and metabolites (OH-PBDEs and MeO-PBDEs) in environmental and biological samples. Approaches to lower the solvent consumption and accelerate the extraction, such as pressurized liquid extraction, microwave-assisted extraction, and ultrasound-assisted extraction, are discussed in this review. Special attention is paid to miniaturized sample preparation methodologies and strategies proposed to reduce organic solvent consumption. Additionally, extraction techniques based on alternative solvents (surfactants, supercritical fluids, or ionic liquids) are also commented in this work, even though these are scarcely used for determination of PBDEs. In addition to liquid-based extraction techniques, solid-based analytical techniques are also addressed. The development of greener, faster and simpler sample preparation approaches has increased in recent years (2003-2013). Among green extraction techniques, those based on the liquid phase predominate over those based on the solid phase (71% vs. 29%, respectively). For solid samples, solvent assisted extraction techniques are preferred for leaching of PBDEs, and liquid phase microextraction techniques are mostly used for liquid samples. Likewise, green characteristics of the instrumental analysis used after the extraction and clean-up steps are briefly discussed. Copyright © 2015 Elsevier B.V. All rights reserved.

Liquid-Solid Interaction in Al-Si/Al-Mn-Cu-Mg Brazing Sheets and Its Effects on Mechanical Properties

NASA Astrophysics Data System (ADS)

Jin, H.; Kozdras, M. S.; Amirkhiz, B. Shalchi; Winkler, S. L.

2018-05-01

The liquid-solid interaction during brazing at 592 °C to 605 °C and its effects on mechanical properties were investigated in a series of Al-Si/Al-Mn-Cu-Mg brazing sheets with different Mg contents. Depending on the Mg level in core alloy and the brazing temperature, critical changes of local chemistry and microstructure related to the liquid-solid interaction occur, including solid-state diffusion, uniform clad-core interface migration, and grain boundary penetration (GBP). When the Mg in core alloy is below 1 wt pct, the interaction is limited and the formation of a dense precipitation band due to solid-state diffusion of Si from the clad to the core is dominant. As the Mg exceeds 1 wt pct, very extensive interaction occurs resulting in clad-core interface migration and GBP of Si into the core, both involving local melting and re-solidification of the core alloy. Whenever Si from the clad encounters Mg in the core due to the interaction, Mg2Si precipitates are formed leading to significant improvement of strength. However, the interface migration and GBP drastically reduce the ductility, due to the segregation of coarse secondary phase particles along the newly formed grain boundaries.

Liquid-Solid Interaction in Al-Si/Al-Mn-Cu-Mg Brazing Sheets and Its Effects on Mechanical Properties

NASA Astrophysics Data System (ADS)

Jin, H.; Kozdras, M. S.; Amirkhiz, B. Shalchi; Winkler, S. L.

2018-07-01

The liquid-solid interaction during brazing at 592 °C to 605 °C and its effects on mechanical properties were investigated in a series of Al-Si/Al-Mn-Cu-Mg brazing sheets with different Mg contents. Depending on the Mg level in core alloy and the brazing temperature, critical changes of local chemistry and microstructure related to the liquid-solid interaction occur, including solid-state diffusion, uniform clad-core interface migration, and grain boundary penetration (GBP). When the Mg in core alloy is below 1 wt pct, the interaction is limited and the formation of a dense precipitation band due to solid-state diffusion of Si from the clad to the core is dominant. As the Mg exceeds 1 wt pct, very extensive interaction occurs resulting in clad-core interface migration and GBP of Si into the core, both involving local melting and re-solidification of the core alloy. Whenever Si from the clad encounters Mg in the core due to the interaction, Mg2Si precipitates are formed leading to significant improvement of strength. However, the interface migration and GBP drastically reduce the ductility, due to the segregation of coarse secondary phase particles along the newly formed grain boundaries.

Reversible photochromic system based on rhodamine B salicylaldehyde hydrazone metal complex.

PubMed

Li, Kai; Xiang, Yu; Wang, Xiaoyan; Li, Ji; Hu, Rongrong; Tong, Aijun; Tang, Ben Zhong

2014-01-29

Photochromic molecules are widely applied in chemistry, physics, biology, and materials science. Although a few photochromic systems have been developed before, their applications are still limited by complicated synthesis, low fatigue resistance, or incomplete light conversion. Rhodamine is a class of dyes with excellent optical properties including long-wavelength absorption, large absorption coefficient, and high photostability in its ring-open form. It is an ideal chromophore for the development of new photochromic systems. However, known photochromic rhodamine derivatives, such as amides, exhibit only millisecond lifetimes in their colored ring-open forms, making their application very limited and difficult. In this work, rhodamine B salicylaldehyde hydrazone metal complex was found to undergo intramolecular ring-open reactions upon UV irradiation, which led to a distinct color and fluorescence change both in solution and in solid matrix. The complex showed good fatigue resistance for the reversible photochromism and long lifetime for the ring-open state. Interestingly, the thermal bleaching rate was tunable by using different metal ions, temperatures, solvents, and chemical substitutions. It was proposed that UV light promoted isomerization of the rhodamine B derivative from enol-form to keto-form, which induced ring-opening of the rhodamine spirolactam in the complex to generate color. The photochromic system was successfully applied for photoprinting and UV strength measurement in the solid state. As compared to other reported photochromic molecules, the system in this study has its advantages of facile synthesis and tunable thermal bleaching rate, and also provides new insights into the development of photochromic materials based on metal complex and spirolactam-containing dyes.

Introduction of the Floquet-Magnus expansion in solid-state nuclear magnetic resonance spectroscopy.

PubMed

Mananga, Eugène S; Charpentier, Thibault

2011-07-28

In this article, we present an alternative expansion scheme called Floquet-Magnus expansion (FME) used to solve a time-dependent linear differential equation which is a central problem in quantum physics in general and solid-state nuclear magnetic resonance (NMR) in particular. The commonly used methods to treat theoretical problems in solid-state NMR are the average Hamiltonian theory (AHT) and the Floquet theory (FT), which have been successful for designing sophisticated pulse sequences and understanding of different experiments. To the best of our knowledge, this is the first report of the FME scheme in the context of solid state NMR and we compare this approach with other series expansions. We present a modified FME scheme highlighting the importance of the (time-periodic) boundary conditions. This modified scheme greatly simplifies the calculation of higher order terms and shown to be equivalent to the Floquet theory (single or multimode time-dependence) but allows one to derive the effective Hamiltonian in the Hilbert space. Basic applications of the FME scheme are described and compared to previous treatments based on AHT, FT, and static perturbation theory. We discuss also the convergence aspects of the three schemes (AHT, FT, and FME) and present the relevant references. © 2011 American Institute of Physics

Limits on the maximum attainable efficiency for solid-state lighting

NASA Astrophysics Data System (ADS)

Coltrin, Michael E.; Tsao, Jeffrey Y.; Ohno, Yoshi

2008-03-01

Artificial lighting for general illumination purposes accounts for over 8% of global primary energy consumption. However, the traditional lighting technologies in use today, i.e., incandescent, fluorescent, and high-intensity discharge lamps, are not very efficient, with less than about 25% of the input power being converted to useful light. Solid-state lighting is a rapidly evolving, emerging technology whose efficiency of conversion of electricity to visible white light is likely to approach 50% within the next years. This efficiency is significantly higher than that of traditional lighting technologies, with the potential to enable a marked reduction in the rate of world energy consumption. There is no fundamental physical reason why efficiencies well beyond 50% could not be achieved, which could enable even greater world energy savings. The maximum achievable luminous efficacy for a solid-state lighting source depends on many different physical parameters, for example the color rendering quality that is required, the architecture employed to produce the component light colors that are mixed to produce white, and the efficiency of light sources producing each color component. In this article, we discuss in some detail several approaches to solid-state lighting and the maximum luminous efficacy that could be attained, given various constraints such as those listed above.

One Subject, Two Lands: My Journey in Condensed Matter Physics

NASA Astrophysics Data System (ADS)

Ramakrishnan, T. V.

2016-03-01

This is an account of a professional life in the field that was generally known as solid-state physics when I started working in it; India and the United States of America are the countries in which this life was largely played out. My attempts to understand various things in condensed matter physics, and efforts to put together people and activities in India in this field, are mainly the story.

Boundary Conditions for the Paleoenvironment: Chemical and Physical Processes in Dense Interstellar Clouds: Summary of Research

NASA Technical Reports Server (NTRS)

Irvine, William M.

1999-01-01

The basic theme of this program was the study of molecular complexity and evolution for the biogenic elements and compounds in interstellar clouds and in primitive solar system objects. Research included the detection and study of new interstellar and cometary molecules and investigation of reaction pathways for astrochemistry from a comparison of theory and observed molecular abundances. The latter includes studies of cold, dark clouds in which ion-molecule chemistry should predominate, searches for the effects of interchange of material between the gas and solid phases in interstellar clouds, unbiased spectral surveys of particular sources, and systematic investigation of the interlinked chemistry and physics of dense interstellar clouds. In addition, the study of comets has allowed a comparison between the chemistry of such minimally thermally processed objects and that of interstellar clouds, shedding light on the evolution of the biogenic elements during the process of solar system formation. One PhD dissertation on this research was completed by a graduate student at the University of Massachusetts. An additional 4 graduate students at the University of Massachusetts and 5 graduate students from other institutions participated in research supported by this grant, with 6 of these thus far receiving PhD degrees from the University of Massachusetts or their home institutions. Four postdoctoral research associates at the University of Massachusetts also participated in research supported by this grant, receiving valuable training.

Subject Specialization and Science Teachers' Perception of Information and Communication Technology for Instruction in Kwara State

ERIC Educational Resources Information Center

Fakomogbon, Michael Ayodele; Adebayo, Rachael Funmi; Adegbija, Mosiforeba Victoria; Shittu, Ahmed Tajudeen; Oyelekan, Oloyede Solomon

2014-01-01

This study examined Kwara State secondary school science teachers' perception of [information and communications technology] ICT for instruction based on their area of specialization. Participants were 630 science teachers of Biology, Chemistry, Physics and Mathematics from both public and private senior secondary schools in 12 Local Government…

Nuclear Magnetic Resonance (NMR) Spectroscopic Characterization of Nanomaterials and Biopolymers

NASA Astrophysics Data System (ADS)

Guo, Chengchen

Nanomaterials have attracted considerable attention in recent research due to their wide applications in various fields such as material science, physical science, electrical engineering, and biomedical engineering. Researchers have developed many methods for synthesizing different types of nanostructures and have further applied them in various applications. However, in many cases, a molecular level understanding of nanoparticles and their associated surface chemistry is lacking investigation. Understanding the surface chemistry of nanomaterials is of great significance for obtaining a better understanding of the properties and functions of the nanomaterials. Nuclear magnetic resonance (NMR) spectroscopy can provide a familiar means of looking at the molecular structure of molecules bound to surfaces of nanomaterials as well as a method to determine the size of nanoparticles in solution. Here, a combination of NMR spectroscopic techniques including one- and two-dimensional NMR spectroscopies was used to investigate the surface chemistry and physical properties of some common nanomaterials, including for example, thiol-protected gold nanostructures and biomolecule-capped silica nanoparticles. Silk is a natural protein fiber that features unique properties such as excellent mechanical properties, biocompatibility, and non-linear optical properties. These appealing physical properties originate from the silk structure, and therefore, the structural analysis of silk is of great importance for revealing the mystery of these impressive properties and developing novel silk-based biomaterials as well. Here, solid-state NMR spectroscopy was used to elucidate the secondary structure of silk proteins in N. clavipes spider dragline silk and B. mori silkworm silk. It is found that the Gly-Gly-X (X=Leu, Tyr, Gln) motif in spider dragline silk is not in a beta-sheet or alpha-helix structure and is very likely to be present in a disordered structure with evidence for 31-helix confirmation. In addition, the conformations of the Ala, Ser, and Tyr residues in silk fibroin of B. mori were investigated and it indicates that the Ala, Ser, and Tyr residues are all present in disordered structures in silk I (before spinning), while show different conformations in silk II (after spinning). Specifically, in silk II, the Ala and Tyr residues are present in both disordered structures and beta-sheet structures, and the Ser residues are present primarily in beta-sheet structures.

A Century of Physics—The Future of Renewable Energy

Science.gov Websites

Society (APS) and the role of physics in the 20th century. Advancements in physics and related fields of world. Several story ideas can be developed to explore the role of physics in energy development for a wind turbine blade? How do scientists use physics, including quantum and solid-state physics

In Situ Imaging the Oxygen Reduction Reactions of Solid State Na-O2 Batteries with CuO Nanowires as the Air Cathode.

PubMed

Liu, Qiunan; Yang, Tingting; Du, Congcong; Tang, Yongfu; Sun, Yong; Jia, Peng; Chen, Jingzhao; Ye, Hongjun; Shen, Tongde; Peng, Qiuming; Zhang, Liqiang; Huang, Jianyu

2018-06-13

We report real time imaging of the oxygen reduction reactions (ORRs) in all solid state sodium oxygen batteries (SOBs) with CuO nanowires (NWs) as the air cathode in an aberration-corrected environmental transmission electron microscope under an oxygen environment. The ORR occurred in a distinct two-step reaction, namely, a first conversion reaction followed by a second multiple ORR. In the former, CuO was first converted to Cu 2 O and then to Cu; in the latter, NaO 2 formed first, followed by its disproportionation to Na 2 O 2 and O 2 . Concurrent with the two distinct electrochemical reactions, the CuO NWs experienced multiple consecutive large volume expansions. It is evident that the freshly formed ultrafine-grained Cu in the conversion reaction catalyzed the latter one-electron-transfer ORR, leading to the formation of NaO 2 . Remarkably, no carbonate formation was detected in the oxygen cathode after cycling due to the absence of carbon source in the whole battery setup. These results provide fundamental understanding into the oxygen chemistry in the carbonless air cathode in all solid state Na-O 2 batteries.

Supplemental Instruction in Physical Chemistry I

ERIC Educational Resources Information Center

Toby, Ellen; Scott, Timothy P.; Migl, David; Kolodzeji, Elizabeth

2016-01-01

Physical chemistry I at Texas A&M University is an upper division course requiring mathematical and analytical skills. As such, this course poses a major problem for many Chemistry, Engineering, Biochemistry and Genetics majors. Comparisons between participants and non-participants in Supplemental Instruction for physical chemistry were made…

Using a Spreadsheet to Solve the Schro¨dinger Equations for the Energies of the Ground Electronic State and the Two Lowest Excited States of H[subscript2

ERIC Educational Resources Information Center

Ge, Yingbin; Rittenhouse, Robert C.; Buchanan, Jacob C.; Livingston, Benjamin

2014-01-01

We have designed an exercise suitable for a lab or project in an undergraduate physical chemistry course that creates a Microsoft Excel spreadsheet to calculate the energy of the S[subscript 0] ground electronic state and the S[subscript 1] and T[subscript 1] excited states of H[subscript 2]. The spreadsheet calculations circumvent the…

STRUCTURAL DIVERSITY IN SOLID STATE CHEMISTRY:A Story of Squares and Triangles

NASA Astrophysics Data System (ADS)

Lee, Stephen

1996-10-01

A simple method for calculating the electronic energy of extended solids is discussed in this review. This method is based on the Huckel or tight-binding theory in which an explicit pairwise repulsion is added to the generally attractive forces of the partially filled valence electron bands. An expansion based on the power moments of the electronic density of states is discussed, and the structural energy difference theorem is reviewed. The repulsive energy is found to vary linearly with the second power moment of the electronic density of states. These results are then used to show why there is such a diversity of structure in the solid state. The elemental structures of the main group are rationalized by the above methods. It is the third and fourth power moments (which correspond in part to triangles and squares of bonded atoms) that account for much of the elemental structures of the main group elements of the periodic table. This serves as an introduction to further rationalizations of transition for noble metal alloy, binary and ternary telluride and selenide, and other intermetallic structures.Thus a cohesive picture of both covalent and metallic bonding is presented in this review, illustrating the importance of atomic orbitals and their overlap integrals.

Physiology undergraduate degree requirements in the U.S.

PubMed

VanRyn, Valerie S; Poteracki, James M; Wehrwein, Erica A

2017-12-01

Course-level learning objectives and core concepts for undergraduate physiology teaching exist. The next step is to consider how these resources fit into generalizable program-level guidelines for Bachelor of Science (BS) degrees in Physiology. In the absence of program-level guidelines for Physiology degree programs, we compiled a selective internal report to review degree requirements from 18 peer BS programs entitled "Physiology" in the United States (U.S.). There was a range of zero to three required semesters of math, physics, physics laboratory, general biology, biology laboratory, general chemistry, chemistry laboratory, organic chemistry, organic chemistry laboratory, biochemistry, biochemistry laboratory, anatomy, anatomy laboratory, core systems physiology, and physiology laboratory. Required upper division credits ranged from 11 to 31 and included system-specific, exercise and environmental, clinically relevant, pathology/disease-related, and basic science options. We hope that this information will be useful for all programs that consider themselves to be physiology, regardless of name. Reports such as this can serve as a starting point for collaboration among BS programs to improve physiology undergraduate education and best serve our students. Copyright © 2017 the American Physiological Society.

Three-Dimensional Solid-State Lithium-Ion Batteries Fabricated by Conformal Vapor-Phase Chemistry.

PubMed

Pearse, Alexander; Schmitt, Thomas; Sahadeo, Emily; Stewart, David M; Kozen, Alexander; Gerasopoulos, Konstantinos; Talin, A Alec; Lee, Sang Bok; Rubloff, Gary W; Gregorczyk, Keith E

2018-05-22

Three-dimensional thin-film solid-state batteries (3D TSSB) were proposed by Long et al. in 2004 as a structure-based approach to simultaneously increase energy and power densities. Here, we report experimental realization of fully conformal 3D TSSBs, demonstrating the simultaneous power-and-energy benefits of 3D structuring. All active battery components-electrodes, solid electrolyte, and current collectors-were deposited by atomic layer deposition (ALD) onto standard CMOS processable silicon wafers microfabricated to form arrays of deep pores with aspect ratios up to approximately 10. The cells utilize an electrochemically prelithiated LiV 2 O 5 cathode, a very thin (40-100 nm) Li 2 PO 2 N solid electrolyte, and a SnN x anode. The fabrication process occurs entirely at or below 250 °C, promising compatibility with a variety of substrates as well as integrated circuits. The multilayer battery structure enabled all-ALD solid-state cells to deliver 37 μAh/cm 2 ·μm (normalized to cathode thickness) with only 0.02% per-cycle capacity loss. Conformal fabrication of full cells over 3D substrates increased the areal discharge capacity by an order of magnitude while simulteneously improving power performance, a trend consistent with a finite element model. This work shows that the exceptional conformality of ALD, combined with conventional semiconductor fabrication methods, provides an avenue for the successful realization of long-sought 3D TSSBs which provide power performance scaling in regimes inaccessible to planar form factor cells.

Chemistry of peroxide compounds

NASA Technical Reports Server (NTRS)

Volnov, I. I.

1981-01-01

The history of Soviet research from 1866 to 1967 on peroxide compounds is reviewed. This research dealt mainly with peroxide kinetics, reactivity and characteristics, peroxide production processes, and more recently with superoxides and ozonides and emphasis on the higher oxides of group 1 and 2 elements. Solid state fluidized bed synthesis and production of high purity products based on the relative solubilities of the initial, intermediate, and final compounds and elements in liquid ammonia are discussed.

Design and Construction of a High Vacuum Surface Analysis Instrument to Study Chemistry at Nanoparticulate Surfaces

DTIC Science & Technology

2011-04-21

various paints , metals, and polymers.2, 11 Furthermore, some CWAs are resistant to a certain decontamination formula or react with the decontamination...The use of solid-state decontaminants increases portability, decreases weight, and could potentially be incorporated into coatings or paints and...enclosure with weather stripping . Figure 2.8: Front and top views of the focusing optics enclosure. The dashed line indicates IR beam path. A

Interfacial Stability of Li Metal-Solid Electrolyte Elucidated via in Situ Electron Microscopy.

PubMed

Ma, Cheng; Cheng, Yongqiang; Yin, Kuibo; Luo, Jian; Sharafi, Asma; Sakamoto, Jeff; Li, Juchuan; More, Karren L; Dudney, Nancy J; Chi, Miaofang

2016-11-09

Despite their different chemistries, novel energy-storage systems, e.g., Li-air, Li-S, all-solid-state Li batteries, etc., face one critical challenge of forming a conductive and stable interface between Li metal and a solid electrolyte. An accurate understanding of the formation mechanism and the exact structure and chemistry of the rarely existing benign interfaces, such as the Li-cubic-Li 7-3x Al x La 3 Zr 2 O 12 (c-LLZO) interface, is crucial for enabling the use of Li metal anodes. Due to spatial confinement and structural and chemical complications, current investigations are largely limited to theoretical calculations. Here, through an in situ formation of Li-c-LLZO interfaces inside an aberration-corrected scanning transmission electron microscope, we successfully reveal the interfacial chemical and structural progression. Upon contact with Li metal, the LLZO surface is reduced, which is accompanied by the simultaneous implantation of Li + , resulting in a tetragonal-like LLZO interphase that stabilizes at an extremely small thickness of around five unit cells. This interphase effectively prevented further interfacial reactions without compromising the ionic conductivity. Although the cubic-to-tetragonal transition is typically undesired during LLZO synthesis, the similar structural change was found to be the likely key to the observed benign interface. These insights provide a new perspective for designing Li-solid electrolyte interfaces that can enable the use of Li metal anodes in next-generation batteries.

Physical stabilization of low-molecular-weight amorphous drugs in the solid state: a material science approach.

PubMed

Qi, Sheng; McAuley, William J; Yang, Ziyi; Tipduangta, Pratchaya

2014-07-01

Use of the amorphous state is considered to be one of the most effective approaches for improving the dissolution and subsequent oral bioavailability of poorly water-soluble drugs. However as the amorphous state has much higher physical instability in comparison with its crystalline counterpart, stabilization of amorphous drugs in a solid-dosage form presents a major challenge to formulators. The currently used approaches for stabilizing amorphous drug are discussed in this article with respect to their preparation, mechanism of stabilization and limitations. In order to realize the potential of amorphous formulations, significant efforts are required to enable the prediction of formulation performance. This will facilitate the development of computational tools that can inform a rapid and rational formulation development process for amorphous drugs.

Physics and Chemistry on Well-Defined Semiconductor and Oxide Surfaces

NASA Astrophysics Data System (ADS)

Chen, Peijun

High resolution electron energy loss spectroscopy (HREELS) and other surface spectroscopic techniques have been employed to investigate the following two classes of surface/interface phenomena on well-defined semiconductor and oxide surfaces: (i) the fundamental physical and chemical processes involved in gas-solid interaction on silicon single crystal surfaces, and (ii) the physical and chemical properties of metal-oxide interfaces. The particular systems reported in this dissertation are: NH_3, PH_3 and B_ {10}H_{14} on Si(111)-(7 x 7); NH_3 on Si(100) -(2 x 1); atomic H on Si(111)-(7 x 7) and boron-modified Si(111); Al on Al_2O_3 and Sn on SiO_2.. On silicon surfaces, the surface dangling bonds function as the primary adsorption sites where surface chemical processes take place. The unambiguous identification of surface species by vibrational spectroscopy allows the elementary steps involved in these surface chemical processes to be followed on a molecular level. For adsorbate molecules such as NH_3 and PH_3, the nature of the initial low temperature (100 -300 K) adsorption is found to be dissociative, while that for B_{10}H_ {14} is non-dissociative. This has been deduced based upon the presence (or absence) of specific characteristic vibrational mode(s) on surface. By following the evolution of surface species as a function of temperature, the elementary steps leading to silicon nitride thin film growth and doping of silicon are elucidated. In the case of NH_3 on Si(111)-(7 x 7) and Si(100)-(2 x 1), a detailed understanding on the role of substrate surface structure in controlling the surface reactivity has been gained on the basis of a Si adatom backbond-strain relief mechanism on the Si(111) -(7 x 7). The electronic modification to Si(111) surface by subsurface boron doping has been shown to quench its surface chemistry, even for the most aggressive atomic H. This discovery is potentially meaningful to the technology of gas-phase silicon etching. The electron energy loss studies on the excitation of surface plasmon in heavily B-doped Si(111) and the investigation of surface optical phonon modes in aluminum oxide thin films provide insights into the sensitive dependence of the physical properties of a solid upon its chemical modification. Successful interpretations of these elementary excitation features are built upon the understanding of the fundamental physics of low-energy electron-solid interaction. Finally, the temperature behavior of the interfacial properties of Sn/SiO_2 are explored.

Toughening of BIS maleimide resins: Synthesis and characterization of maleimide terminated poly(arylene ether) oligomers and polymers

NASA Technical Reports Server (NTRS)

Mcgrath, J. E.; Lyle, G. D.; Jurek, M. J.; Mohanty, D.; Hedrick, J. C.

1986-01-01

Amine functional poly(arylene ether) sulfones were previously reported. Herein, the chemistry was extended to amorphous poly(arylene ether) ketones because of their higher fracture toughness values, relative to the polysulfones. It was demonstrated that the amino functional oligomers undergo a self-crosslinking reaction at temperatures above about 220 C. This produces an insoluble, but ductile network that has excellent resistance. A ketamine structure hypothesis was proposed and verified using solid state magic angle NMR. In most cases, the water generated upon ketamine formation is too low to produce porosity and solid networks are obtained. The stability of the ketamine networks towards hydrolysis is excellent. The chemistry was further demonstrated to be able to crosslink preformed nonfunctional poly(arylene ether) ketones if a difunctional amine was utilized. This concept has the possibility of greatly improving the creep resistance of thermoplastics. Also, a new technique was developed for converting the amine functional oligomers cleanly into maleimide structures. This method involves reacting maleic anhydride with monomeric aminophenols in the presence of solvent mixtures.

Chemistry vs. Physics: A Comparison of How Biology Majors View Each Discipline

NASA Astrophysics Data System (ADS)

Perkins, K. K.; Barbera, J.; Adams, W. K.; Wieman, C. E.

2007-01-01

A student's beliefs about science and learning science may be more or less sophisticated depending on the specific science discipline. In this study, we used the physics and chemistry versions of the Colorado Learning Attitudes about Science Survey (CLASS) to measure student beliefs in the large, introductory physics and chemistry courses, respectively. We compare how biology majors — generally required to take both of the courses — view these two disciplines. We find that these students' beliefs are more sophisticated about physics (more like the experts in that discipline) than they are about chemistry. At the start of the term, the average % Overall Favorable score on the CLASS is 59% in physics and 53% in chemistry. The students' responses are statistically more expert-like in physics than in chemistry on 10 statements (P ⩽ 0.01), indicating that these students think chemistry is more about memorizing disconnected pieces of information and sample problems, and has less to do with the real world. In addition, these students' view of chemistry degraded over the course of the term. Their favorable scores shifted -5.7% and -13.5% in `Overall' and the `Real World Connection' category, respectively, in the physics course, which used a variety of research-based teaching practices, these scores shifted 0.0% and +0.3%, respectively. The chemistry shifts are comparable to those previously observed in traditional introductory physics courses.

Neutron scattering, solid state NMR and quantum chemistry studies of 11-keto-progesterone

NASA Astrophysics Data System (ADS)

Szyczewski, A.; Hołderna-Natkaniec, K.; Natkaniec, I.

2004-07-01

The molecule geometry, frequency and intensity of the IINS and IR vibrational bands of 11-ketoprogesterone have been obtained by the HF, PM3 and density functional theory (DFT) with the B3LYP functionals and 6-31G(d,p) basis set. The optimised bond lengths and bond angles of the steroid skeleton are in good agreement with the X-ray data. The IR and IINS spectra of ketoprogesterone, computed at the DFT level, well reproduce the vibrational wavenumbers and intensities to an accuracy allowing reliable vibrational assignments. The molecular dynamic study by 1H NMR has confirmed the sequence of onset of reorientations of subsequent methyl groups indicated by the results of quantum chemistry calculations and INS spectra.

Physical aspects of dexibuprofen and racemic ibuprofen.

PubMed

Leising, G; Resel, R; Stelzer, F; Tasch, S; Lanziner, A; Hantich, G

1996-12-01

This article presents a comparative study of ibuprofen materials in their solid state. Ibuprofen crystallizes into two different structures for the S(+) enantiomer (dexibuprofen) and racemic ibuprofen. The crystal structure of ibuprofen, its optical absorption and photoluminescence, and the thermodynamic results (melting point and heat of fusion) are discussed. From these physicochemical properties, the authors conclude that dexibuprofen, which is the most active species pharmaceutically, and racemic ibuprofen are inherently different solid-state materials.

A Journey into Reciprocal Space; A crystallographer's perspective

NASA Astrophysics Data System (ADS)

Glazer, A. M.

2017-10-01

This book introduces undergraduate and graduate students to a crystallographer's view of real and reciprocal space, a concept that has been of particular use by crystallographers to understand the patterns of spots when x-rays are diffracted by crystals. It then proceeds to develop the concept in a form suitable for physics applications; such as how solid-state physicists use reciprocal space to explain various solid-state properties such as thermal and electrical phenomena.

Diffuse cloud chemistry. [in interstellar matter

NASA Technical Reports Server (NTRS)

Van Dishoeck, Ewine F.; Black, John H.

1988-01-01

The current status of models of diffuse interstellar clouds is reviewed. A detailed comparison of recent gas-phase steady-state models shows that both the physical conditions and the molecular abundances in diffuse clouds are still not fully understood. Alternative mechanisms are discussed and observational tests which may discriminate between the various models are suggested. Recent developments regarding the velocity structure of diffuse clouds are mentioned. Similarities and differences between the chemistries in diffuse clouds and those in translucent and high latitude clouds are pointed out.

Chemical Technology Division annual technical report, 1992

DOE Office of Scientific and Technical Information (OSTI.GOV)

Battles, J.E.; Myles, K.M.; Laidler, J.J.

1993-06-01

In this period, CMT conducted research and development in the following areas: (1) electrochemical technology, including advanced batteries and fuel cells; (2) technology for fluidized-bed combustion and coal-fired magnetohydrodynamics; (3) methods for treatment of hazardous waste, mixed hazardous/radioactive waste, and municipal solid waste; (4) the reaction of nuclear waste glass and spent fuel under conditions expected for an unsaturated repository; (5) processes for separating and recovering transuranic elements from nuclear waste streams, treating water contaminated with volatile organics, and concentrating radioactive waste streams; (6) recovery processes for discharged fuel and the uranium blanket in the Integral Fast Reactor (EFR); (7)more » processes for removal of actinides in spent fuel from commercial water-cooled nuclear reactors and burnup in IFRs; and (8) physical chemistry of selected materials (corium; Fe-U-Zr, tritium in LiAlO{sub 2} in environments simulating those of fission and fusion energy systems. The Division also conducts basic research in catalytic chemistry associated with molecular energy resources and novel` ceramic precursors; materials chemistry of superconducting oxides, electrified metal/solution interfaces, and molecular sieve structures; and the geochemical processes involved in water-rock interactions occurring in active hydrothermal systems. In addition, the Analytical Chemistry Laboratory in CMT provides a broad range of analytical chemistry support services to the technical programs at Argonne National Laboratory (ANL).« less

Discovery-Synthesis, Design, and Prediction of Chalcogenide Phases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kanatzidis, Mercouri G.

The discovery of new materials and their efficient syntheses is a fundamental goal of chemistry. A related objective is to identify foundational and rational approaches to enhance the art of synthesis by combining the exquisite predictability of organic synthesis with the high yields of solid-state chemistry. In contrast to so-called solid-state methods, inorganic syntheses in liquid fluxes permit bond formation, framework assembly, and crystallization at lower temperatures because of facile diffusion and chemical reactions with and within the flux itself. The fluxes are bona fide solvents similar to conventional organic or aqueous solvents. Such reactions can produce a wide rangemore » of materials, often metastable, from oxides to intermetallics, but typically the formation mechanisms are poorly understood. This article discusses how one can design, perform, observe, understand, and engineer the formation of compounds from inorganic melts. The focus is also design concepts such as "dimensional reduction", "phase homologies", and "panoramic synthesis", and their broad applicability. When well-defined building blocks are present and stable in the reaction, prospects for increased structural diversity and product control increase substantially. Common structural motifs within these materials systems may be related to structural precursors in the melt that may be controlled by tuning reaction conditions and composition. Stabilization of a particular building block is often accomplished with tuning of the flux composition, which controls the Lewis basicity and redox potential. In such tunable and dynamic fluxes, the synthesis can be directed toward new materials. Using complementary techniques of in situ X-ray diffraction, we can create time-dependent maps of reaction space and probe the mobile species present in melts. Lastly, certain thoughts toward the ultimate goal of targeted materials synthesis by controlling inorganic melt chemistry are discussed.« less

Discovery-Synthesis, Design, and Prediction of Chalcogenide Phases

DOE PAGES

Kanatzidis, Mercouri G.

2017-03-09

The discovery of new materials and their efficient syntheses is a fundamental goal of chemistry. A related objective is to identify foundational and rational approaches to enhance the art of synthesis by combining the exquisite predictability of organic synthesis with the high yields of solid-state chemistry. In contrast to so-called solid-state methods, inorganic syntheses in liquid fluxes permit bond formation, framework assembly, and crystallization at lower temperatures because of facile diffusion and chemical reactions with and within the flux itself. The fluxes are bona fide solvents similar to conventional organic or aqueous solvents. Such reactions can produce a wide rangemore » of materials, often metastable, from oxides to intermetallics, but typically the formation mechanisms are poorly understood. This article discusses how one can design, perform, observe, understand, and engineer the formation of compounds from inorganic melts. The focus is also design concepts such as "dimensional reduction", "phase homologies", and "panoramic synthesis", and their broad applicability. When well-defined building blocks are present and stable in the reaction, prospects for increased structural diversity and product control increase substantially. Common structural motifs within these materials systems may be related to structural precursors in the melt that may be controlled by tuning reaction conditions and composition. Stabilization of a particular building block is often accomplished with tuning of the flux composition, which controls the Lewis basicity and redox potential. In such tunable and dynamic fluxes, the synthesis can be directed toward new materials. Using complementary techniques of in situ X-ray diffraction, we can create time-dependent maps of reaction space and probe the mobile species present in melts. Lastly, certain thoughts toward the ultimate goal of targeted materials synthesis by controlling inorganic melt chemistry are discussed.« less

Inorganic Nanotubes and Fullerene-like Nanoparticles at the Crossroads between Solid-State Chemistry and Nanotechnology.

PubMed

Višić, Bojana; Panchakarla, Leela Srinivas; Tenne, Reshef

2017-09-20

Inorganic nanotubes (NTs) and fullerene-like nanoparticles (NPs) of WS 2 were discovered some 25 years ago and are produced now on a commercial scale for various applications. This Perspective provides a brief description of recent progress in this scientific discipline. The conceptual evolution leading to the discovery of these NTs and NPs is briefly discussed. Subsequently, recent progress in the synthesis of such NPs from a variety of inorganic compounds with layered (2D) structure is described. In particular, we discuss the synthesis of NTs from chalcogenide- and oxide-based ternary misfit layered compounds, as well as their structure and different growth mechanisms. Next we deliberate on the mechanical, optical, electrical, and electromechanical properties, which delineate them from their bulk counterparts and also from their graphene-like analogues. Here, different experiments with individual NTs coupled with first-principles and molecular dynamics calculations demonstrate the unique physical nature of these quasi-1D nanostructures. Finally, the various applications of the fullerene-like NPs of WS 2 and NTs formed therefrom are deliberated. Foremost among the possibilities are their extensive uses as superior solid lubricants. Combined with their nontoxicity and their facile dispersion, these NTs, with an ultimate strength of about 20 GPa, are likely to find numerous applications in reinforcing polymers, adhesives, textiles, medical devices, metallic alloys, and even concrete. Other potential applications in energy-harvesting and catalysis are discussed in brief.

NMR at Low and Ultra-Low Temperatures

PubMed Central

Tycko, Robert

2017-01-01

Conspectus Solid state nuclear magnetic resonance (NMR) measurements at low temperatures have been common in physical sciences for many years, and are becoming increasingly important in studies of biomolecular systems. This article reviews a diverse set of projects from my laboratory, dating back to the early 1990s, that illustrate the motivations for low-temperature solid state NMR, the types of information that are available from the measurements, and likely directions for future research. These projects include NMR studies of both physical and biological systems, performed at low (cooled with nitrogen, down to 77 K) and very low (cooled with helium, below 77 K) temperatures, and performed with and without magic-angle spinning (MAS). In NMR studies of physical systems, the main motivation is to study phenomena that occur only at low temperatures. Two examples from my laboratory are studies of molecular rotation and an orientational ordering in solid C60 at low temperatures and studies of unusual electronic states, called skyrmions, in two-dimensionally confined electron systems within semiconductor quantum wells. NMR measurements on quantum wells were facilitated by optical pumping of nuclear spin polarizations, a signal enhancement phenomenon that exists at very low temperatures. In studies of biomolecular systems, motivations for low-temperature NMR include suppression of molecular tumbling (thereby permitting solid state NMR measurements on soluble proteins), suppression of conformational exchange (thereby permitting quantitation of conformational distributions), and trapping of transient intermediate states in a non-equilibrium kinetic process (by rapid freeze-quenching). Solid state NMR measurements on AIDS-related peptide/antibody complexes, chemically denatured states of the model protein HP35, and a transient intermediate in the rapid folding pathway of HP35 illustrate these motivations. NMR sensitivity generally increases with decreasing sample temperature. It is therefore advantageous to go as cold as possible, particularly in studies of biomolecular systems in frozen solutions. However, solid state NMR studies of biomolecular systems generally require rapid MAS. A novel MAS NMR probe design that uses nitrogen gas for sample spinning and cold helium only for sample cooling allows a wide variety of solid state NMR measurements to be performed on biomolecular systems at 20-25 K, where signals are enhanced by factors of 12-15 relative to measurements at room temperature. MAS NMR at very low temperatures also facilitates dynamic nuclear polarization (DNP), allowing sizeable additional signal enhancements and large absolute NMR signal amplitudes to be achieved with relatively low microwave powers. Current research in my laboratory seeks to develop and exploit DNP-enhanced MAS NMR at very low temperatures, for example in studies of transient intermediates in protein folding and aggregation processes and studies of peptide/protein complexes that can be prepared only at low concentrations. PMID:23470028

Communities of Molecules: A Physical Chemistry Module. Teacher's Guide.

ERIC Educational Resources Information Center

DeVoe, Howard; Hearle, Robert

This teacher's guide is designed to provide science teachers with the necessary guidance and suggestions for teaching physical chemistry. The material in this book can be integrated with the other modules in a sequence that helps students see that chemistry is a unified science. Contents include: (1) "Introduction of Physical Chemistry"; (2) "The…

Microbial Preference for Soil Organic Carbon Changes Along Redox Gradients as a Function of the Energetic Cost of Respiration

NASA Astrophysics Data System (ADS)

Naughton, H.; Keiluweit, M.; Fendorf, S. E.; Farrant, D. N.

2016-12-01

Soil organic carbon (SOC) chemistry is known to impact carbon preservation via mineral associations and physical protection, which chemically or physically block SOC from microbial enzymatic access for decomposition. However, SOC decay models that include these processes do not reliably predict SOC dynamics. We propose that the energetics of respiration additionally regulate SOC cycling. Specifically, organic carbon will only be respired if the available electron acceptors yield enough energy for microbial growth when metabolically coupled to the SOC. To test this hypothesis, we constructed dual pore domain reactors in which water flows normal to a column of packed soil, allowing oxygen to diffuse from the upper channel through the soil and establish a redox gradient. With increasing depth into the soil column, the soil experiences a typical redox profile indicative of anaerobic respiration processes: after oxygen is consumed, nitrate, Mn, Fe, and sulfate serve as electron acceptors. We measure porewater and effluent for nitrate, sulfate, Fe(II) and Mn(II) and take microsensor profiles of dissolved oxygen and H2S to characterize the redox gradient and respiration pathways. To this we couple incubations of solid material at each depth post-experiment and quantify CO2 and CH4 production to assess respiration potential along the redox gradient. Porewater SOC chemistry is analyzed via spectroscopy and mass spectrometry to interpret SOC oxidation state and composition and thus test thermodynamic predictions on SOC stability given the available redox acceptors at a given depth in the reactor. Within 0.5 cm of the soil surface, oxygen concentrations drop below detection and signs of anaerobic respiration (Fe(II) production, loss of nitrate) initiate while respiration rates drops precipitously. More oxidized SOC is preferentially utilized with progression along the redox gradient, supporting thermodynamic predictions. This work highlights the potential of SOC chemistry within specific redox metabolic zones of soils and sediments to drive carbon utilization. An improved understanding on organic carbon utliization is critical to predict SOC dynamics under changing hydrology (e.g. saltwater intrusion, permafrost melting), temperature, and other factors impacting microbial respiration energetics.

Multiscale Modeling: A Review

NASA Astrophysics Data System (ADS)

Horstemeyer, M. F.

This review of multiscale modeling covers a brief history of various multiscale methodologies related to solid materials and the associated experimental influences, the various influence of multiscale modeling on different disciplines, and some examples of multiscale modeling in the design of structural components. Although computational multiscale modeling methodologies have been developed in the late twentieth century, the fundamental notions of multiscale modeling have been around since da Vinci studied different sizes of ropes. The recent rapid growth in multiscale modeling is the result of the confluence of parallel computing power, experimental capabilities to characterize structure-property relations down to the atomic level, and theories that admit multiple length scales. The ubiquitous research that focus on multiscale modeling has broached different disciplines (solid mechanics, fluid mechanics, materials science, physics, mathematics, biological, and chemistry), different regions of the world (most continents), and different length scales (from atoms to autos).

Understanding the Reaction Chemistry of 2,2':5',2''-Terthiophene Films with Vapor-Deposited Ag, Al, and Ca

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sang, Lingzi; Matz, Dallas L.; Pemberton, Jeanne E.

The reaction chemistry of vapor-deposited 2,2':5',2''-terthiophene (α-3T) solid-state thin films with postdeposited Ag, Al, and Ca is investigated in ultrahigh vacuum using Raman spectroscopy. Vapor-deposited Ag forms nanoparticles on these films and induces considerable surface enhanced Raman scattering (SERS) along with a change in molecular symmetry of adjacent α-3T and formation of Ag–S bonds; no other reaction chemistry is observed. Vapor-deposited Al and Ca undergo chemical reaction with α-3T initiated by metal-to-α-3T electron transfer. For Al, the resulting product is predominantly amorphous carbon through initial radical formation and subsequent decomposition reactions. For Ca, the spectral evidence suggests two pathways: onemore » leading to α-3T polymerization and the other resulting in thiophene ring opening, both initiated by radical formation through Ca-to-α-3T electron transfer. These interfacial reactions reflect the complex chemistry that can occur between low work function metals and thiophene-based oligomers. This reactivity is strongly correlated with metal work function.« less

Understanding the Reaction Chemistry of 2,2':5',2"-Terthiophene Films with Vapor-Deposited Ag, Al, and Ca

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sang, Lingzi; Matz, Dallas L.; Pemberton, Jeanne E.

The reaction chemistry of vapor-deposited 2,2':5',2''-terthiophene (α-3T) solid-state thin films with postdeposited Ag, Al, and Ca is investigated in ultrahigh vacuum using Raman spectroscopy. Vapor-deposited Ag forms nanoparticles on these films and induces considerable surface enhanced Raman scattering (SERS) along with a change in molecular symmetry of adjacent α-3T and formation of Ag–S bonds; no other reaction chemistry is observed. Vapor-deposited Al and Ca undergo chemical reaction with α-3T initiated by metal-to-α-3T electron transfer. For Al, the resulting product is predominantly amorphous carbon through initial radical formation and subsequent decomposition reactions. For Ca, the spectral evidence suggests two pathways: onemore » leading to α-3T polymerization and the other resulting in thiophene ring opening, both initiated by radical formation through Ca-to-α-3T electron transfer. These interfacial reactions reflect the complex chemistry that can occur between low work function metals and thiophene-based oligomers. This reactivity is strongly correlated with metal work function.« less

Kraft lignin chain extension chemistry via propargylation, oxidative coupling, and Claisen rearrangement.

PubMed

Sen, Sanghamitra; Sadeghifar, Hasan; Argyropoulos, Dimitris S

2013-10-14

Despite its aromatic and polymeric nature, the heterogeneous, stochastic, and reactive characteristics of softwood kraft lignin seriously limit its potential for thermoplastic applications. Our continuing efforts toward creating thermoplastic lignin polymers are now focused at exploring propargylation derivatization chemistry and its potential as a versatile novel route for the eventual utilization of technical lignins with a significant amount of molecular control. To do this, we initially report the systematic propargylation of softwood kraft lignin. The synthesized derivatives were extensively characterized with thermal methods (DSC, TGA), (1)H, (13)C, and quantitative (31)P NMR and IR spectroscopies. Further on, we explore the versatile nature of the lignin pendant propargyl groups by demonstrating two distinct chain extension chemistries; the solution-based, copper-mediated, oxidative coupling and the thermally induced, solid-state, Claissen rearrangement polymerization chemistries. Overall, we show that it is possible to modulate the reactivity of softwood kraft lignin via a combination of methylation and chain extension providing a rational means for the creation of higher molecular weight polymers with the potential for thermoplastic materials and carbon fibers with the desired control of structure-property relations.

Nanoscale Bio-engineering Solutions for Space Exploration: The Nanopore Sequencer

NASA Technical Reports Server (NTRS)

Stolc, Viktor; Cozmuta, Ioana

2004-01-01

Characterization of biological systems at the molecular level and extraction of essential information for nano-engineering design to guide the nano-fabrication of solid-state sensors and molecular identification devices is a computational challenge. The alpha hemolysin protein ion channel is used as a model system for structural analysis of nucleic acids like DNA. Applied voltage draws a DNA strand and surrounding ionic solution through the biological nanopore. The subunits in the DNA strand block ion flow by differing amounts. Atomistic scale simulations are employed using NASA supercomputers to study DNA translocation, with the aim to enhance single DNA subunit identification. Compared to protein channels, solid-state nanopores offer a better temporal control of the translocation of DNA and the possibility to easily tune its chemistry to increase the signal resolution. Potential applications for NASA missions, besides real-time genome sequencing include astronaut health, life detection and decoding of various genomes.

Nanoscale Bioengineering Solutions for Space Exploration the Nanopore Sequencer

NASA Technical Reports Server (NTRS)

Ioana, Cozmuta; Viktor, Stoic

2005-01-01

Characterization of biological systems at the molecular level and extraction of essential information for nano-engineering design to guide the nano-fabrication of solid-state sensors and molecular identification devices is a computational challenge. The alpha hemolysin protein ion channel is used as a model system for structural analysis of nucleic acids like DNA. Applied voltage draws a DNA strand and surrounding ionic solution through the biological nanopore. The subunits in the DNA strand block ion flow by differing amounts. Atomistic scale simulations are employed using NASA supercomputers to study DNA translocation. with the aim to enhance single DNA subunit identification. Compared to protein channels, solid-state nanopores offer a better temporal control of the translocation of DNA and the possibility to easily tune its chemistry to increase the signal resolution. Potential applications for NASA missions, besides real-time genome sequencing include astronaut health, life detection and decoding of various genomes. http://phenomrph.arc.nasa.gov/index.php

Sol-gel synthesis, phase composition, morphological and structural characterization of Ca10(PO4)6(OH)2: XRD, FTIR, SEM, 3D SEM and solid-state NMR studies

NASA Astrophysics Data System (ADS)

Kareiva, Simonas; Klimavicius, Vytautas; Momot, Aleksandr; Kausteklis, Jonas; Prichodko, Aleksandra; Dagys, Laurynas; Ivanauskas, Feliksas; Sakirzanovas, Simas; Balevicius, Vytautas; Kareiva, Aivaras

2016-09-01

Aqueous sol-gel chemistry route based on ammonium-hydrogen phosphate as the phosphorus precursor, calcium acetate monohydrate as source of calcium ions, and 1,2-ethylendiaminetetraacetic acid (EDTA), or 1,2-diaminocyclohexanetetracetic acid (DCTA), or tartaric acid (TA), or ethylene glycol (EG), or glycerol (GL) as complexing agents have been used to prepare calcium hydroxyapatite (Ca10(PO4)6(OH)2, CHAp). The phase transformations, composition, and structural changes in the polycrystalline samples were studied by infrared spectroscopy (FTIR), X-ray powder diffraction analysis (XRD), and scanning electron microscopy (SEM). The local short-range (nano- and mezo-) scale effects in CHAp were studied using solid-state NMR spectroscopy. The spatial 3D data from the SEM images of CHAp samples obtained by TA, EG and GL sol-gel routes were recovered for the first time to our knowledge.

Halogen bonding, chalcogen bonding, pnictogen bonding, tetrel bonding: origins, current status and discussion.

PubMed

Brammer, Lee

2017-10-13

The role of the closing lecture in a Faraday Discussion is to summarise the contributions made to the Discussion over the course of the meeting and in so doing capture the main themes that have arisen. This article is based upon my Closing Remarks Lecture at the 203 rd Faraday Discussion meeting on Halogen Bonding in Supramolecular and Solid State Chemistry, held in Ottawa, Canada, on 10-12 th July, 2017. The Discussion included papers on fundamentals and applications of halogen bonding in the solid state and solution phase. Analogous interactions involving main group elements outside group 17 were also examined. In the closing lecture and in this article these contributions have been grouped into the four themes: (a) fundamentals, (b) beyond the halogen bond, (c) characterisation, and (d) applications. The lecture and paper also include a short reflection on past work that has a bearing on the Discussion.

When is an imine not an imine? Unusual reactivity of a series of Cu(II) imine-pyridine complexes and their exploitation for the Henry reaction.

PubMed

Cooper, Christine J; Jones, Matthew D; Brayshaw, Simon K; Sonnex, Benjamin; Russell, Mark L; Mahon, Mary F; Allan, David R

2011-04-14

In this paper we report the synthesis and solid-state structures for a series of pyridine based Cu(II) complexes and preliminary data for the asymmetric Henry reaction. Interestingly, the solid-state structures indicate the incorporation of an alcohol into one of the imine groups of the ligand, forming a rare α-amino ether group. The complexes have been studied via single crystal X-ray diffraction, EPR spectroscopy and mass spectrometry. Intriguingly, it has been observed that the alcohol only adds to one of the imine moieties. Density functional theory (DFT) calculations have also been employed to rationalise the observed structures. The Cu(II) complexes have been tested in the asymmetric Henry reaction (benzaldehyde + nitromethane or nitroethane) with ee's up to 84% being achieved as well as high conversions and modest diastereoselectivities. © The Royal Society of Chemistry 2011

Advances in Molecular Rotational Spectroscopy for Applied Science

NASA Astrophysics Data System (ADS)

Harris, Brent; Fields, Shelby S.; Pulliam, Robin; Muckle, Matt; Neill, Justin L.

2017-06-01

Advances in chemical sensitivity and robust, solid-state designs for microwave/millimeter-wave instrumentation compel the expansion of molecular rotational spectroscopy as research tool into applied science. It is familiar to consider molecular rotational spectroscopy for air analysis. Those techniques for molecular rotational spectroscopy are included in our presentation of a more broad application space for materials analysis using Fourier Transform Molecular Rotational Resonance (FT-MRR) spectrometers. There are potentially transformative advantages for direct gas analysis of complex mixtures, determination of unknown evolved gases with parts per trillion detection limits in solid materials, and unambiguous chiral determination. The introduction of FT-MRR as an alternative detection principle for analytical chemistry has created a ripe research space for the development of new analytical methods and sampling equipment to fully enable FT-MRR. We present the current state of purpose-built FT-MRR instrumentation and the latest application measurements that make use of new sampling methods.

Zirconia coating stabilized super-iron alkaline cathodes

NASA Astrophysics Data System (ADS)

Yu, Xingwen; Licht, Stuart

A low-level zirconia coating significantly stabilizes high energy alkaline super-iron cathodes, and improves the energy storage capacity of super-iron batteries. Zirconia coating is derived from ZrCl 4 in an organic medium through the conversion of ZrCl 4 to ZrO 2. In alkaline battery system, ZrO 2 provides an intact shield for the cathode materials and the hydroxide shuttle through the coating sustains alkaline cathode redox chemistry. Most super-iron cathodes are solid-state stable, such as K 2FeO 4 and Cs 2FeO 4, but tend to be passivated in alkaline electrolyte due to the formation of Fe(III) over layer. Zirconia coating effectively enhances the stability of these super-iron cathodes. However, for solid-state unstable super-iron cathode (e.g. BaFeO 4), only a little stabilization effect of zirconia coating is observed.

Solid-Phase Synthesis of Diverse Peptide Tertiary Amides By Reductive Amination

PubMed Central

Pels, Kevin; Kodadek, Thomas

2015-01-01

The synthesis of libraries of conformationally-constrained peptide-like oligomers is an important goal in combinatorial chemistry. In this regard an attractive building block is the N-alkylated peptide, also known as peptide tertiary amide (PTA). PTAs are strongly biased conformationally due to allylic 1,3 strain interactions. We report here an improved synthesis of these species on solid supports through the use of reductive amination chemistry using amino acid-terminated, bead-displayed oligomers and diverse aldehydes. The utility of this chemistry is demonstrated by the synthesis of a library of 10,000 mixed peptoid-PTA oligomers. PMID:25695359

Solid-phase synthesis of diverse peptide tertiary amides by reductive amination.

PubMed

Pels, Kevin; Kodadek, Thomas

2015-03-09

The synthesis of libraries of conformationally constrained peptide-like oligomers is an important goal in combinatorial chemistry. In this regard an attractive building block is the N-alkylated peptide, also known as a peptide tertiary amide (PTA). PTAs are conformationally constrained because of allylic 1,3 strain interactions. We report here an improved synthesis of these species on solid supports through the use of reductive amination chemistry using amino acid-terminated, bead-displayed oligomers and diverse aldehydes. The utility of this chemistry is demonstrated by the synthesis of a library of 10,000 mixed peptoid-PTA oligomers.

Some Research Centers for Plasma Physics and Solid State Physics in the Netherlands and Belgium. Part II. Belgium,

DTIC Science & Technology

plasma column and observed the interesting phenomenon of plasma ejection. At FUB, Balescu and Prigogine direct a group of sixty theoreticians doing...outstanding work in statistical physics. Balescu is writing another graduate textbook on non-equilibrium statistical mechanics. He is tackling the

Stories of Discovery Stimulate the Physics Major--A Polemic, with Examples.

ERIC Educational Resources Information Center

Leitner, Alfred

1980-01-01

Provides historical examples of intuitive discovery applicable to the teaching of physics for majors. Cites details for the discovery of Coulomb's law, emphasizing the roles of Joseph Priestley and Henry Cavendish. Also discusses the career of Ivar Giaever, a Nobel Prize winner of 1973 in solid state physics. (CS)