Characterization of Two Distinct Amorphous Forms of Valsartan by Solid-State NMR.

Science.gov (United States)

Skotnicki, Marcin; Apperley, David C; Aguilar, Juan A; Milanowski, Bartłomiej; Pyda, Marek; Hodgkinson, Paul

2016-01-04

Valsartan (VAL) is an antihypertensive drug marketed in an amorphous form. Amorphous materials can have different physicochemical properties depending on preparation method, thermal history, etc., but the nature of such materials is difficult to study by diffraction techniques. This study characterizes two different amorphous forms of valsartan (AR and AM) using solid-state NMR (SSNMR) as a primary investigation tool, supported by solution-state NMR, FT-IR, TMDSC, and dissolution tests. The two forms are found to be clearly distinct, with a significantly higher level of structural arrangement in the AR form, as observed in (13)C, (15)N, and (1)H SSNMR. (13)C and (15)N NMR indicates that the fully amorphous material (AM) contains an approximately equal ratio of cis-trans conformers about the amide bond, whereas the AR form exists mainly as one conformer, with minor conformational "defects". (1)H ultrafast MAS NMR shows significant differences in the hydrogen bonding involving the tetrazole and acid hydrogens between the two materials, while (15)N NMR shows that both forms exist as a 1,2,3,4-tetrazole tautomer. NMR relaxation times show subtle differences in local and bulk molecular mobility, which can be connected with the glass transition, the stability of the glassy material, and its response to aging. Counterintuitively the fully amorphous material is found to have a significantly lower dissolution rate than the apparently more ordered AR material.

Origin of deep subgap states in amorphous indium gallium zinc oxide: Chemically disordered coordination of oxygen

International Nuclear Information System (INIS)

Sallis, S.; Williams, D. S.; Butler, K. T.; Walsh, A.; Quackenbush, N. F.; Junda, M.; Podraza, N. J.; Fischer, D. A.; Woicik, J. C.; White, B. E.; Piper, L. F. J.

2014-01-01

The origin of the deep subgap states in amorphous indium gallium zinc oxide (a-IGZO), whether intrinsic to the amorphous structure or not, has serious implications for the development of p-type transparent amorphous oxide semiconductors. We report that the deep subgap feature in a-IGZO originates from local variations in the oxygen coordination and not from oxygen vacancies. This is shown by the positive correlation between oxygen composition and subgap intensity as observed with X-ray photoelectron spectroscopy. We also demonstrate that the subgap feature is not intrinsic to the amorphous phase because the deep subgap feature can be removed by low-temperature annealing in a reducing environment. Atomistic calculations of a-IGZO reveal that the subgap state originates from certain oxygen environments associated with the disorder. Specifically, the subgap states originate from oxygen environments with a lower coordination number and/or a larger metal-oxygen separation.

Origin of deep subgap states in amorphous indium gallium zinc oxide: Chemically disordered coordination of oxygen

Energy Technology Data Exchange (ETDEWEB)

Sallis, S.; Williams, D. S. [Materials Science and Engineering, Binghamton University, Binghamton, New York 13902 (United States); Butler, K. T.; Walsh, A. [Center for Sustainable Technologies and Department of Chemistry, University of Bath, Claverton Down, Bath BA2 7AY (United Kingdom); Quackenbush, N. F. [Department of Physics, Applied Physics, and Astronomy, Binghamton University, Binghamton, New York 13902 (United States); Junda, M.; Podraza, N. J. [Department of Physics and Astronomy, University of Toledo, Toledo, Ohio 43606 (United States); Fischer, D. A.; Woicik, J. C. [Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States); White, B. E.; Piper, L. F. J., E-mail: lpiper@binghamton.edu [Department of Physics, Applied Physics, and Astronomy, Binghamton University, Binghamton, New York 13902 (United States); Materials Science and Engineering, Binghamton University, Binghamton, New York 13902 (United States)

2014-06-09

The origin of the deep subgap states in amorphous indium gallium zinc oxide (a-IGZO), whether intrinsic to the amorphous structure or not, has serious implications for the development of p-type transparent amorphous oxide semiconductors. We report that the deep subgap feature in a-IGZO originates from local variations in the oxygen coordination and not from oxygen vacancies. This is shown by the positive correlation between oxygen composition and subgap intensity as observed with X-ray photoelectron spectroscopy. We also demonstrate that the subgap feature is not intrinsic to the amorphous phase because the deep subgap feature can be removed by low-temperature annealing in a reducing environment. Atomistic calculations of a-IGZO reveal that the subgap state originates from certain oxygen environments associated with the disorder. Specifically, the subgap states originate from oxygen environments with a lower coordination number and/or a larger metal-oxygen separation.

Solid-State NMR Investigation of Drug-Excipient Interactions and Phase Behavior in Indomethacin-Eudragit E Amorphous Solid Dispersions.

Science.gov (United States)

Lubach, Joseph W; Hau, Jonathan

2018-02-20

To investigate the nature of drug-excipient interactions between indomethacin (IMC) and methacrylate copolymer Eudragit® E (EE) in the amorphous state, and evaluate the effects on formulation and stability of these amorphous systems. Amorphous solid dispersions containing IMC and EE were spray dried with drug loadings from 20% to 90%. PXRD was used to confirm the amorphous nature of the dispersions, and DSC was used to measure glass transition temperatures (T g ). 13 C and 15 N solid-state NMR was utilized to investigate changes in local structure and protonation state, while 1 H T 1 and T 1ρ relaxation measurements were used to probe miscibility and phase behavior of the dispersions. T g values for IMC-EE solid dispersions showed significant positive deviations from predicted values in the drug loading range of 40-90%, indicating a relatively strong drug-excipient interaction. 15 N solid-state NMR exhibited a change in protonation state of the EE basic amine, with two distinct populations for the EE amine at -360.7 ppm (unprotonated) and -344.4 ppm (protonated). Additionally, 1 H relaxation measurements showed phase separation at high drug load, indicating an amorphous ionic complex and free IMC-rich phase. PXRD data showed all ASDs up to 90% drug load remained physically stable after 2 years. 15 N solid-state NMR experiments show a change in protonation state of EE, indicating that an ionic complex indeed forms between IMC and EE in amorphous solid dispersions. Phase behavior was determined to exhibit nanoscale phase separation at high drug load between the amorphous ionic complex and excess free IMC.

Investigation of electrochemical behaviour and structure of oxide films on Ni60Nb40 alloy in amorphous and crystalline states

International Nuclear Information System (INIS)

Tomashov, N.D.; Skvortsova, I.B.; Gorodetskij, A.E.; Bogomolov, D.B.

1987-01-01

Electrochemical properties of Ni 60 Nb 40 alloy in amorphous and crystalline states as well as structure of oxide films forming during anode polarization in electrolytes on the surface of this alloy in both its states are investigated. It is stated that increased passive ability of Ni 60 Nb 40 alloys in amorphous state and high efficiency of chlorine evolution (2 n NaCl+HCl up to pH=0) anode process in comparison with crystalline state are defined by increased homogeneity and uniformity of passive films forming on amorphous alloy and their increased electron conductivity, that is in direct dependence on different structure of passive films forming on alloys in amorphous and crystalline states

The Stabilization of Amorphous Zopiclone in an Amorphous Solid Dispersion.

Science.gov (United States)

Milne, Marnus; Liebenberg, Wilna; Aucamp, Marique

2015-10-01

Zopiclone is a poorly soluble psychotherapeutic agent. The aim of this study was to prepare and characterize an amorphous form of zopiclone as well as the characterization and performance of a stable amorphous solid dispersion. The amorphous form was prepared by the well-known method of quench-cooling of the melt. The solid dispersion was prepared by a solvent evaporation method of zopiclone, polyvinylpyrrolidone-25 (PVP-25), and methanol, followed by freeze-drying. The physico-chemical properties and stability of amorphous zopiclone and the solid dispersion was studied using differential scanning calorimetry (DSC), infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), scanning electron microscopy (SEM), hot-stage microscopy (HSM), X-ray diffractometry (XRD), solubility, and dissolution studies. The zopiclone amorphous solid-state form was determined to be a fragile glass; it was concluded that the stability of the amorphous form is influenced by both temperature and water. Exposure of amorphous zopiclone to moisture results in rapid transformation of the amorphous form to the crystalline dihydrated form. In comparison, the amorphous solid dispersion proved to be more stable with increased aqueous solubility.

Electron transfer from electronic excited states to sub-vacuum electron traps in amorphous ice

International Nuclear Information System (INIS)

Vichnevetski, E.; Bass, A.D.; Sanche, L.

2000-01-01

We investigate the electron stimulated yield of electronically excited argon atoms (Ar * ) from monolayer quantities of Ar deposited onto thin films of amorphous ice. Two peaks of narrow width ( - electron-exciton complex into exciton states, by the transfer of an electron into a sub-vacuum electron state within the ice film. However, the 10.7 eV feature is shifted to lower energy since electron attachment to Ar occurs within small pores of amorphous ice. In this case, the excess electron is transferred into an electron trap below the conduction band of the ice layer

Characterization of degradation products of amorphous and polymorphic forms of clopidogrel bisulphate under solid state stress conditions

DEFF Research Database (Denmark)

Raijada, Dhara K; Prasad, Bhagwat; Paudel, Amrit

2010-01-01

The present study deals with the stress degradation studies on amorphous and polymorphic forms of clopidogrel bisulphate. The objective was to characterize the degradation products and postulate mechanism of decomposition of the drug under solid state stress conditions. For that, amorphous form, ...

Hydrogen in disordered and amorphous solids

International Nuclear Information System (INIS)

Bambakidis, G; Bowman, R.C.

1986-01-01

This book presents information on the following topoics: elements of the theory of amorphous semiconductors; electronic structure of alpha-SiH; fluctuation induced gap states in amorphous hydrogenated silicon; hydrogen on semiconductor surfaces; the influence of hydrogen on the defects and instabilities in hydrogenated amorphous silicon; deuteron magnetic resonance in some amorphous semiconductors; formation of amorphous metals by solid state reactions of hydrogen with an intermetallic compound; NMR studies of the hydrides of disordered and amorphous alloys; neutron vibrational spectroscopy of disordered metal-hydrogen system; dynamical disorder of hydrogen in LaNi /SUB 5-y/ M /SUB y/ hydrides studied by quasi-elastic neutron scattering; recent studies of intermetallic hydrides; tritium in Pd and Pd /SUB 0.80/ Sg /SUB 0.20/ ; and determination of hydrogen concentration in thin films of absorbing materials

Superconducting state parameters of monovalent and polyvalent amorphous

Energy Technology Data Exchange (ETDEWEB)

Sonvane, Y. A., E-mail: yas@ashd.svnit.ac.in [Department of Applied Physics, S. V. National Institute of Technology, Surat 395 007, Gujarat (India); Patel, H. P., E-mail: patel.harshal2@gmail.com; Thakor, P. B., E-mail: pbthakor@rediffmail.com [Department of Physics, Veer Narmad South Gujarat University, Surat 395 007, Gujarat (India)

2015-08-28

In the present study deals, we have calculated superconducting state parameter (SSP) like electron-phonon coupling strength λ, coulomb pseudo potential, μ*, transition temperature Tc, isotope effect exponent α and effective interaction strength N{sub 0}V of monovalent (Li), divalent (Zn), trivalent (In) and tetravalent (Pb) amorphous. To carry out this work we have used our newly constructed model pseudo potential to describe electron ion interaction along with three different local field correction functions like Hartree, Taylor and Sarkar et al. The present results are found in good agreement with other available theoretical as well as experimental data.

Fabrication of amorphous Si and C anode films via co-sputtering for an all-solid-state battery

Energy Technology Data Exchange (ETDEWEB)

Lee, K.S. [Department of Materials Science and Engineering, Yonsei University Shinchondong, 262 Seongsanno, Seodaemoongu, Seoul 120-749 (Korea, Republic of); Department of Environment and Energy Engineering, Gachon University, Seongnamdaero 1342, 461-710 Gyeonggi-do (Korea, Republic of); Lee, S.H. [Department of Environment and Energy Engineering, Gachon University, Seongnamdaero 1342, 461-710 Gyeonggi-do (Korea, Republic of); Woo, S.P. [Department of Materials Science and Engineering, Yonsei University Shinchondong, 262 Seongsanno, Seodaemoongu, Seoul 120-749 (Korea, Republic of); Department of Environment and Energy Engineering, Gachon University, Seongnamdaero 1342, 461-710 Gyeonggi-do (Korea, Republic of); Kim, H.S. [Department of Mechanical Engineering, Gachon University, Seongnamdaero 1342, 461-710 Gyeonggi-do (Korea, Republic of); Yoon, Y.S., E-mail: benedicto@gachon.ac.kr [Department of Environment and Energy Engineering, Gachon University, Seongnamdaero 1342, 461-710 Gyeonggi-do (Korea, Republic of)

2014-08-01

In this study, a combination of silicon and carbon as the anode material for an all-solid-state battery has been investigated to overcome their individual deficiencies. The capacity of silicon thin films with an input power of 60 W shows dramatic failure after 38 cycles due to serious volume expansion. In contrast, C thin films at 60 W show high stability of cyclic performance and capacity retention. The amorphous silicon and carbon composite reduced the volume expansion of silicon during long term cycles and enhanced the low specific capacity of the carbon. This resistance of the volume expansion might be expected from the cushion effect caused by the carbon, which was confirmed by scanning electron microscope images after a 100 cycle test. These results indicate that amorphous silicon and carbon composite thin films have a high possibility as the stable anode material for an all-solid-state battery. - Highlights: • Amorphous Si/C nanocomposite thin films have been prepared by co-sputtering. • Carbon can act as a cushion effect to prevent volume expansion of Si. • Amorphous Si/C nanocomposite thin films show structure stability at 100 cycles. • Capacity of the amorphous Si/C nanocomposite thin films was enhanced considerably.

Achievement report for fiscal 1984 on Sunshine Program-entrusted research and development. Research and development of amorphous solar cells (Theoretical research on amorphous silicon electronic states by computer-aided simulation); 1984 nendo amorphous taiyo denchi no kenkyu kaihatsu seika hokokusho. Keisanki simulation ni yoru amorphous silicon no denshi jotai no rironteki kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1985-04-01

Research on the basic physical properties of amorphous silicon materials and for the development of materials for thermally stable amorphous silicon is conducted through theoretical reasoning and computer-aided simulation. In the effort at achieving a high conversion efficiency using an amorphous silicon alloy, a process of realizing desired photoabsorption becomes possible when the correlation between the atomic structure and the photoabsorption coefficient is clearly established and the atomic structure is manipulated. In this connection, analytical studies are conducted to determine how microscopic structures are reflected on macroscopic absorption coefficients. In the computer-aided simulation, various liquid structures and amorphous structures are worked out, which is for the atom-level characterization of structures with topological disturbances, such as amorphous structures. Glass transition is simulated using a molecular kinetic method, in particular, and the melting of crystals, crystallization of liquids, and vitrification (conversion into the amorphous state) are successfully realized, though in a computer-aided simulation, for the first time in the world. (NEDO)

Method to quantify the delocalization of electronic states in amorphous semiconductors and its application to assessing charge carrier mobility of p -type amorphous oxide semiconductors

Science.gov (United States)

de Jamblinne de Meux, A.; Pourtois, G.; Genoe, J.; Heremans, P.

2018-01-01

Amorphous semiconductors are usually characterized by a low charge carrier mobility, essentially related to their lack of long-range order. The development of such material with higher charge carrier mobility is hence challenging. Part of the issue comes from the difficulty encountered by first-principles simulations to evaluate concepts such as the electron effective mass for disordered systems since the absence of periodicity induced by the disorder precludes the use of common concepts derived from condensed matter physics. In this paper, we propose a methodology based on first-principles simulations that partially solves this problem, by quantifying the degree of delocalization of a wave function and of the connectivity between the atomic sites within this electronic state. We validate the robustness of the proposed formalism on crystalline and molecular systems and extend the insights gained to disordered/amorphous InGaZnO4 and Si. We also explore the properties of p -type oxide semiconductor candidates recently reported to have a low effective mass in their crystalline phases [G. Hautier et al., Nat. Commun. 4, 2292 (2013), 10.1038/ncomms3292]. Although in their amorphous phase none of the candidates present a valence band with delocalization properties matching those found in the conduction band of amorphous InGaZnO4, three of the seven analyzed materials show some potential. The most promising candidate, K2Sn2O3 , is expected to possess in its amorphous phase a slightly higher hole mobility than the electron mobility in amorphous silicon.

Photoconductivity of amorphous silicon-rigorous modelling

International Nuclear Information System (INIS)

Brada, P.; Schauer, F.

1991-01-01

It is our great pleasure to express our gratitude to Prof. Grigorovici, the pioneer of the exciting field of amorphous state by our modest contribution to this area. In this paper are presented the outline of the rigorous modelling program of the steady-state photoconductivity in amorphous silicon and related materials. (Author)

Optoelectronic properties of valence-state-controlled amorphous niobium oxide

Science.gov (United States)

Onozato, Takaki; Katase, Takayoshi; Yamamoto, Akira; Katayama, Shota; Matsushima, Koichi; Itagaki, Naho; Yoshida, Hisao; Ohta, Hiromichi

2016-06-01

In order to understand the optoelectronic properties of amorphous niobium oxide (a-NbO x ), we have investigated the valence states, local structures, electrical resistivity, and optical absorption of a-NbO x thin films with various oxygen contents. It was found that the valence states of Nb ion in a-NbO x films can be controlled from 5+  to 4+  by reducing oxygen pressure during film deposition at room temperature, together with changing the oxide-ion arrangement around Nb ion from Nb2O5-like to NbO2-like local structure. As a result, a four orders of magnitude reduction in the electrical resistivity of a-NbO x films was observed with decreasing oxygen content, due to the carrier generation caused by the appearance and increase of an oxygen-vacancy-related subgap state working as an electron donor. The tunable optoelectronic properties of a-NbO x films by valence-state-control with oxygen-vacancy formation will be useful for potential flexible optoelectronic device applications.

Formation of amorphous Ti-50at.%Pt by solid state reactions during mechanical alloying

CSIR Research Space (South Africa)

Mahlatji, ML

2013-10-01

Full Text Available Mechanical alloying of an equiatomic mixture of crystalline elemental powders of Ti and Pt in a high-energy ball mill results in formation of an amorphous alloy by solid-state reactions. Mechanical alloying was carried out in an argon atmosphere...

Radiation tolerance of amorphous semiconductors

International Nuclear Information System (INIS)

Nicolaides, R.V.; DeFeo, S.; Doremus, L.W.

1976-01-01

In an attempt to determine the threshold radiation damage in amorphous semiconductors, radiation tests were performed on amorphous semiconductor thin film materials and on threshold and memory devices. The influence of flash x-rays and neutron radiation upon the switching voltages, on- and off-state characteristics, dielectric response, optical transmission, absorption band edge and photoconductivity were measured prior to, during and following irradiation. These extensive tests showed the high radiation tolerance of amorphous semiconductor materials. Electrical and optical properties, other than photoconductivity, have a neutron radiation tolerance threshold above 10 17 nvt in the steady state and 10 14 nvt in short (50 μsec to 16 msec) pulses. Photoconductivity increases by 1 1 / 2 orders of magnitude at the level of 10 14 nvt (short pulses of 50 μsec). Super flash x-rays up to 5000 rads (Si), 20 nsec, do not initiate switching in off-state samples which are voltage biased up to 90 percent of the threshold voltage. Both memory and threshold amorphous devices are capable of switching on and off during nuclear radiation transients at least as high as 2 x 10 14 nvt in 50 μsec pulses

Solid-state amorphization of SmFe3 by hydrogenation

International Nuclear Information System (INIS)

Mueller, K.H.; Kubis, M.; Handstein, A.; Gutfleisch, O.

2000-01-01

Hydrogen-induced amorphization (HIA) has received much attention as a method for the preparation of amorphous compounds since its discovery by Yeh et al. Meanwhile it has been observed for a large number of intermetallic compounds with C15, C23, B8 2 , DO 19 and L1 2 structures. E.G. the C15 Laves-type compounds (MgCu 2 -type structure) of rare earth (R) - transition metal (T) compounds RT 2 show HIA for R = Y, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho and Er. Aoki et al. postulated that new amorphizing compounds can be expected at high hydrogen pressures. In this work, the structural changes of SmFe 3 (PuNi 3 -type structure) during heating in high hydrogen pressures are reported

Weak and Strong Gels and the Emergence of the Amorphous Solid State

Directory of Open Access Journals (Sweden)

Jack F. Douglas

2018-02-01

Full Text Available Gels are amorphous solids whose macroscopic viscoelastic response derives from constraints in the material that serve to localize the constituent molecules or particles about their average positions in space. These constraints may either be local in nature, as in chemical cross-linking and direct physical associations, or non-local, as in case of topological “entanglement” interactions between highly extended fiber or sheet structures in the fluid. Either of these interactions, or both combined, can lead to “gelation” or “amorphous solidification”. While gels are often considered to be inherently non-equilibrium materials, and correspondingly termed “soft glassy matter”, this is not generally the case. For example, the formation of vulcanized rubbers by cross-linking macromolecules can be exactly described as a second order phase transition from an equilibrium fluid to an equilibrium solid state, and amorphous solidification also arises in diverse physical gels in which molecular and particle localization occurs predominantly through transient molecuar associations, or even topological interactions. As equilibrium, or near equilibrium systems, such gels can be expected to exhibit universal linear and non-linear viscoelastic properties, especially near the “critical” conditions at which the gel state first emerges. In particular, a power-law viscoelastic response is frequently observed in gel materials near their “gelation” or “amorphous solidification” transition. Another basic property of physical gels of both theoretical and practical interest is their response to large stresses at constant shear rate or under a fixed macrocopic strain. In particular, these materials are often quite sensitive to applied stresses that can cause the self-assembled structure to progressively break down under flow or deformation. This disintegration of gel structure can lead to “yield” of the gel material, i.e., a fluidization

Air oxidation of Zr65Cu17.5Ni10Al7.5 in its amorphous and supercooled liquid states, studied by thermogravimetric analysis

International Nuclear Information System (INIS)

Dhawan, A.; Sharma, S.K.; Raetzke, K.; Faupel, F.

2003-01-01

The oxidation behaviour of the bulk amorphous alloy Zr 65 Cu 17.5 Ni 10 Al 7.5 was studied in air at various temperatures in the temperature range 591-732 K using a thermogravimetric analyser (TGA). The oxidation kinetics of the alloy obeys the parabolic rate law showing two different linear regions (in the plots of mass gain versus square root of oxidation time) which are attributed to the amorphous and the supercooled liquid states of the alloy. The value of the activation energy Q for the amorphous state as calculated from the temperature dependence of the rate constants is found to be 1.80±0.1 eV and the corresponding value obtained for the supercooled liquid state is 1.20±0.1 eV. It is suggested that the rate controlling process during oxidation of the amorphous state is the back-diffusion of Ni, and possibly Cu also, while the oxidation in the supercooled liquid state is dominated by the inward diffusion of oxygen. (copyright 2003 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Mechanical response of melt-spun amorphous filaments

International Nuclear Information System (INIS)

Leal, A A; Reifler, F A; Hufenus, R; Mohanty, G; Michler, J

2014-01-01

High-speed melt spinning of a cyclo-olefin polymer (COP) and a copolyamide (CoPA) have been performed. Differential scanning calorimetry curves of the resulting monofilaments show that they remain in an amorphous state even after hot drawing. Wide angle x-ray diffraction patterns of undrawn and drawn COP filaments show that although the material remains in an amorphous state, a degree of orientation is induced in the polymer after drawing. The amorphous filaments show an enhanced bending recovery with respect to different semi-crystalline monofilaments commercially available. However, single fiber axial compressive testing indicates that the amorphous filaments exhibit a compressive modulus value which is 50% lower than what is observed for a reference semi-crystalline PET filament. Analysis of the compressive strains applied by the bending recovery test indicates that while the maximum applied strains remain well within the region of elastic deformation of the amorphous materials, the threshold between elastic and plastic deformation is reached for the semi-crystalline materials. (paper)

Self-consistent modeling of amorphous silicon devices

International Nuclear Information System (INIS)

Hack, M.

1987-01-01

The authors developed a computer model to describe the steady-state behaviour of a range of amorphous silicon devices. It is based on the complete set of transport equations and takes into account the important role played by the continuous distribution of localized states in the mobility gap of amorphous silicon. Using one set of parameters they have been able to self-consistently simulate the current-voltage characteristics of p-i-n (or n-i-p) solar cells under illumination, the dark behaviour of field-effect transistors, p-i-n diodes and n-i-n diodes in both the ohmic and space charge limited regimes. This model also describes the steady-state photoconductivity of amorphous silicon, in particular, its dependence on temperature, doping and illumination intensity

Solid-state amorphization in the Ni-Zr system investigated by positron lifetime spectroscopy

International Nuclear Information System (INIS)

Bernal, M.J.; De La Cruz, R.M.; Leguey, T.; Pareja, R.; Riveiro, J.M.

1995-01-01

The process of mechanical alloying and amorphization of Ni-Zr powders is investigated by positron lifetime spectroscopy, X-ray diffraction and differential scanning calorimetry. The short-lived component of the lifetime spectra is composition and milling-time dependent. The second lifetime component, found during the initial stages of the milling process, appears to be due to annihilation from states trapped at crystalline interface joints. The results indicate that the solid-state reactions induced by ball milling involve the transformation and disappearance of the crystalline interface joints in the powder particles. (orig.)

Generalized molybdenum oxide surface chemical state XPS determination via informed amorphous sample model

Energy Technology Data Exchange (ETDEWEB)

Baltrusaitis, Jonas, E-mail: job314@lehigh.edu [Department of Chemical Engineering, Lehigh University, B336 Iacocca Hall, 111 Research Drive, Bethlehem, PA 18015 (United States); PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Mendoza-Sanchez, Beatriz [CRANN, Chemistry School, Trinity College Dublin, Dublin (Ireland); Fernandez, Vincent [Institut des Matériaux Jean Rouxel, 2 rue de la Houssinière, BP 32229, F-44322 Nantes Cedex 3 (France); Veenstra, Rick [PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Dukstiene, Nijole [Department of Physical and Inorganic Chemistry, Kaunas University of Technology, Radvilenu pl. 19, LT-50254 Kaunas (Lithuania); Roberts, Adam [Kratos Analytical Ltd, Trafford Wharf Road, Wharfside, Manchester, M17 1GP (United Kingdom); Fairley, Neal [Casa Software Ltd, Bay House, 5 Grosvenor Terrace, Teignmouth, Devon TQ14 8NE (United Kingdom)

2015-01-30

Highlights: • We analyzed and modeled spectral envelopes of complex molybdenum oxides. • Molybdenum oxide films of varying valence and crystallinity were synthesized. • MoO{sub 3} and MoO{sub 2} line shapes from experimental data were created. • Informed amorphous sample model (IASM) developed. • Amorphous molybdenum oxide XPS envelopes were interpreted. - Abstract: Accurate elemental oxidation state determination for the outer surface of a complex material is of crucial importance in many science and engineering disciplines, including chemistry, fundamental and applied surface science, catalysis, semiconductors and many others. X-ray photoelectron spectroscopy (XPS) is the primary tool used for this purpose. The spectral data obtained, however, is often very complex and can be subject to incorrect interpretation. Unlike traditional XPS spectra fitting procedures using purely synthetic spectral components, here we develop and present an XPS data processing method based on vector analysis that allows creating XPS spectral components by incorporating key information, obtained experimentally. XPS spectral data, obtained from series of molybdenum oxide samples with varying oxidation states and degree of crystallinity, were processed using this method and the corresponding oxidation states present, as well as their relative distribution was elucidated. It was shown that monitoring the evolution of the chemistry and crystal structure of a molybdenum oxide sample due to an invasive X-ray probe could be used to infer solutions to complex spectral envelopes.

Mechanics of amorphous solids—identification and constitutive modelling

NARCIS (Netherlands)

van Dommelen, J.A.W.; Estevez, R.

2018-01-01

Both polymers and metals can be in an organised crystalline or amorphous glassy state, where for polymers usually at least a part of the structure is amorphous and metals are in a glassy state only when processed under special conditions. At the 15th European Mechanics of Materials Conference in

Pressure-volume-temperature and excess molar volume prediction of amorphous and crystallizable polymer blends by equation of state

Institute of Scientific and Technical Information of China (English)

Fakhri Yousefi; Hajir Karimi; Maryam Gomar

2015-01-01

In this work the statistical mechanical equation of state was developed for volumetric properties of crystal ine and amorphous polymer blends. The Ihm–Song–Mason equations of state (ISMEOS) based on temperature and density at melting point (Tm andρm) as scaling constants were developed for crystalline polymers such as poly(propylene glycol)+poly(ethylene glycol)-200 (PPG+PEG-200), poly(ethylene glycol) methyl ether-300 (PEGME-350)+PEG-200 and PEGME-350+PEG-600. Furthermore, for amorphous polymer blends con-taining poly(2,6-dimethyl-1,4-phenylene oxide) (PPO)+polystyrene (PS) and PS+poly(vinylmethylether) (PVME), the density and surface tension at glass transition (ρg andγg) were used for estimation of second Virial coefficient. The calculation of second Virial coefficients (B2), effective van der Waals co-volume (b) and correction factor (α) was required for judgment about applicability of this model. The obtained results by ISMEOS for crys-talline and amorphous polymer blends were in good agreement with the experimental data with absolute aver-age deviations of 0.84%and 1.04%, respectively.

Intrinsic charge trapping in amorphous oxide films: status and challenges

Science.gov (United States)

Strand, Jack; Kaviani, Moloud; Gao, David; El-Sayed, Al-Moatasem; Afanas’ev, Valeri V.; Shluger, Alexander L.

2018-06-01

We review the current understanding of intrinsic electron and hole trapping in insulating amorphous oxide films on semiconductor and metal substrates. The experimental and theoretical evidences are provided for the existence of intrinsic deep electron and hole trap states stemming from the disorder of amorphous metal oxide networks. We start from presenting the results for amorphous (a) HfO2, chosen due to the availability of highest purity amorphous films, which is vital for studying their intrinsic electronic properties. Exhaustive photo-depopulation spectroscopy measurements and theoretical calculations using density functional theory shed light on the atomic nature of electronic gap states responsible for deep electron trapping observed in a-HfO2. We review theoretical methods used for creating models of amorphous structures and electronic structure calculations of amorphous oxides and outline some of the challenges in modeling defects in amorphous materials. We then discuss theoretical models of electron polarons and bi-polarons in a-HfO2 and demonstrate that these intrinsic states originate from low-coordinated ions and elongated metal-oxygen bonds in the amorphous oxide network. Similarly, holes can be captured at under-coordinated O sites. We then discuss electron and hole trapping in other amorphous oxides, such as a-SiO2, a-Al2O3, a-TiO2. We propose that the presence of low-coordinated ions in amorphous oxides with electron states of significant p and d character near the conduction band minimum can lead to electron trapping and that deep hole trapping should be common to all amorphous oxides. Finally, we demonstrate that bi-electron trapping in a-HfO2 and a-SiO2 weakens Hf(Si)–O bonds and significantly reduces barriers for forming Frenkel defects, neutral O vacancies and O2‑ ions in these materials. These results should be useful for better understanding of electronic properties and structural evolution of thin amorphous films under carrier injection

Structure, thermodynamics, and crystallization of amorphous hafnia

International Nuclear Information System (INIS)

Luo, Xuhui; Demkov, Alexander A.

2015-01-01

We investigate theoretically amorphous hafnia using the first principles melt and quench method. We identify two types of amorphous structures of hafnia. Type I and type II are related to tetragonal and monoclinic hafnia, respectively. We find type II structure to show stronger disorder than type I. Using the phonon density of states, we calculate the specific heat capacity for type II amorphous hafnia. Using the nudged elastic band method, we show that the averaged transition barrier between the type II amorphous hafnia and monoclinic phase is approximately 0.09 eV/HfO 2 . The crystallization temperature is estimated to be 421 K. The calculations suggest an explanation for the low thermal stability of amorphous hafnia

Crystallization inhibitors for amorphous oxides

International Nuclear Information System (INIS)

Reznitskij, L.A.; Filippova, S.E.

1993-01-01

Data for the last 10 years, in which experimental results of studying the temperature stabilization of x-ray amorphous oxides (including R 3 Fe 5 O 12 R-rare earths, ZrO 2 , In 2 O 3 , Sc 2 O 3 ) and their solid solution are presented, are generalized. Processes of amorphous oxide crystallization with the production of simple oxides, solid solutions and chemical compounds with different polyhedral structure, are investigated. Energy and crystallochemical criteria for selecting the doping inhibitor-components stabilizing the amorphous state are ascertained, temperatures and enthalpies of amorpous oxide crystallization are determined, examination of certain provisions of iso,orphous miscibility theory is conducted

Ab initio simulation of amorphous silicon

International Nuclear Information System (INIS)

Cooper, N.C.; McKenzie, D.R.; Goringe, C.M.

1999-01-01

Full text: A first-principles Car-Parrinello molecular dynamics simulation of amorphous silicon is presented. Density Functional Theory is used to describe the forces between the atoms in a 64 atom supercell which is periodically repeated throughout space in order to generate an infinite network of atoms (a good approximation to a real solid). A quench from the liquid phase is used to achieve a quenched amorphous structure, which is subjected to an annealing cycle to improve its stability. The final, annealed network is in better agreement with experiment than any previous simulation of amorphous silicon. Significantly, the predicted average first-coordination numbers of 3.56 and 3.84 for the quenched and annealed structures from this simulation agree very closely with the experimental values of 3.55 and 3.90 respectively, whereas all previous simulations yielded first coordination numbers greater than 4. This improved agreement in coordination numbers is important because it supports the experimental finding that dangling bonds (which are associated with under-coordinated atoms) are more prevalent than floating bonds (the strained, longer bond of a five coordinate atom) in pure amorphous silicon. Finally, the effect of adding hydrogen to amorphous silicon was investigated by specifically placing hydrogen atoms at the likely defect sites. After a structural relaxation to optimise the positions of these hydrogen atoms, the localised electronic states associated with these defects are absent. Thus hydrogen is responsible for removing these defect states (which are able to trap carriers) from the edge of the band gap of the amorphous silicon. These results confirm the widely held ideas about the effect of hydrogen in producing remarkable improvements in the electronic properties of amorphous silicon

Solid-state amorphization of SmFe{sub 3} by hydrogenation

Energy Technology Data Exchange (ETDEWEB)

Mueller, K.H.; Kubis, M.; Handstein, A.; Gutfleisch, O.

2000-05-10

Hydrogen-induced amorphization (HIA) has received much attention as a method for the preparation of amorphous compounds since its discovery by Yeh et al. Meanwhile it has been observed for a large number of intermetallic compounds with C15, C23, B8{sub 2}, DO{sub 19} and L1{sub 2} structures. E.G. the C15 Laves-type compounds (MgCu{sub 2}-type structure) of rare earth (R) - transition metal (T) compounds RT{sub 2} show HIA for R = Y, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho and Er. Aoki et al. postulated that new amorphizing compounds can be expected at high hydrogen pressures. In this work, the structural changes of SmFe{sub 3} (PuNi{sub 3}-type structure) during heating in high hydrogen pressures are reported.

Transient photoconductivity in amorphous semiconductors

International Nuclear Information System (INIS)

Mpawenayo, P.

1997-07-01

Localized states in amorphous semiconductors are divided in disorder induced shallow trap levels and dangling bonds deep states. Dangling bonds are assumed here to be either neutral or charged and their energy distribution is a single gaussian. Here, it is shown analytically that transient photocurrent in amorphous semiconductors is fully controlled by charge carriers transitions between localized states for one part and tunneling hopping carriers on the other. Localized dangling bonds deep states act as non radiative recombination centres, while hopping tunnelling is assisted by the Coulomb interaction between defects sites. The half-width of defects distribution is the disorder parameter that determines the carrier hopping time between defects sites. The macroscopic time that explains the long decay response times observed will all types of amorphous semiconductors is duly thought to be temperature dependent. Basic equations developed by Longeaud and Kleider are solved for the general case of a semiconductor after photo-generation. It turns out that the transient photoconductivity decay has two components; one with short response times from carriers trap-release transitions between shallow levels and extended states and a hopping component made of inter-dependent exponentials whose time constants span in larger ranges depending on disorder. The photoconductivity hopping component appears as an additional term to be added to photocurrents derived from existing models. The results of the present study explain and complete the power law decay derived in the multiple trapping models developed 20 years ago only in the approximation of the short response time regime. The long response time regime is described by the hopping macroscopic time. The present model is verified for all samples of amorphous semiconductors known so far. Finally, it is proposed to improved the modulated photoconductivity calculation techniques by including the long-lasting hopping dark documents

Crystalline to amorphous transformation in silicon

International Nuclear Information System (INIS)

Cheruvu, S.M.

1982-09-01

In the present investigation, an attempt was made to understand the fundamental mechanism of crystalline-to-amorphous transformation in arsenic implanted silicon using high resolution electron microscopy. A comparison of the gradual disappearance of simulated lattice fringes with increasing Frenkel pair concentration with the experimental observation of sharp interfaces between crystalline and amorphous regions was carried out leading to the conclusion that when the defect concentration reaches a critical value, the crystal does relax to an amorphous state. Optical diffraction experiments using atomic models also supported this hypothesis. Both crystalline and amorphous zones were found to co-exist with sharp interfaces at the atomic level. Growth of the amorphous fraction depends on the temperature, dose rate and the mass of the implanted ion. Preliminary results of high energy electron irradiation experiments at 1.2 MeV also suggested that clustering of point defects occurs near room temperature. An observation in a high resolution image of a small amorphous zone centered at the core of a dislocation is presented as evidence that the nucleation of an amorphous phase is heterogeneous in nature involving clustering or segregation of point defects near existing defects

Amorphous-crystalline transition in thermoelectric NbO2

International Nuclear Information System (INIS)

Music, Denis; Chen, Yen-Ting; Bliem, Pascal; Geyer, Richard W

2015-01-01

Density functional theory was employed to design enhanced amorphous NbO 2 thermoelectrics. The covalent-ionic nature of Nb–O bonding is identical in amorphous NbO 2 and its crystalline counterpart. However, the Anderson localisation occurs in amorphous NbO 2 , which may affect the transport properties. We calculate a multifold increase in the absolute Seebeck coefficient for the amorphous state. These predictions were critically appraised by measuring the Seebeck coefficient of sputtered amorphous and crystalline NbO 2 thin films with the identical short-range order. The first-order phase transition occurs at approximately 550 °C, but amorphous NbO 2 possesses enhanced transport properties at all temperatures. Amorphous NbO 2 , reaching  −173 μV K −1 , exhibits up to a 29% larger absolute Seebeck coefficient value, thereby validating the predictions. (paper)

Generalized melting criterion for beam-induced amorphization

International Nuclear Information System (INIS)

Lam, N. Q.; Okamoto, Paul R.

1993-09-01

Recent studies have shown that the mean-square static atomic displacements provide a generic measure of the enthalpy stored in the lattice in the form of chemical and topological disorder, and that the effect of the displacements on the softening of shear elastic constants is identical to that of heating. This finding lends support to a generalized form of the Lindemann phenomenological melting criterion and leads to a natural interpretion of crystalline-to-amorphous transformations as defect-induced melting of metastable crystals driven beyond a critical state of disorder where the melting temperature falls below the glass-transition temperature. Application of the generalized Lindemann criterion to both the crystalline and amorphous phases indicates that the enthalpies of the two phases become identical when their shear moduli become equal. This thermo-elastic rule provides a basis for predicting the relative susceptibility of compounds to amorphization in terms of their elastic properties as measured by Debye temperatures. The present approach can explain many of the basic findings on beam-induced amorphization of intermetallic compounds as well as amorphous phase formation associated with ion implantation, ion-beam mixing and other solid-state processes

Comparison of the electronic structure of amorphous versus crystalline indium gallium zinc oxide semiconductor: structure, tail states and strain effects

International Nuclear Information System (INIS)

De Jamblinne de Meux, A; Genoe, J; Heremans, P; Pourtois, G

2015-01-01

We study the evolution of the structural and electronic properties of crystalline indium gallium zinc oxide (IGZO) upon amorphization by first-principles calculation. The bottom of the conduction band (BCB) is found to be constituted of a pseudo-band of molecular orbitals that resonate at the same energy on different atomic sites. They display a bonding character between the s orbitals of the metal sites and an anti-bonding character arising from the interaction between the oxygen and metal s orbitals. The energy level of the BCB shifts upon breaking of the crystal symmetry during the amorphization process, which may be attributed to the reduction of the coordination of the cationic centers. The top of the valence band (TVB) is constructed from anti-bonding oxygen p orbitals. In the amorphous state, they have random orientation, in contrast to the crystalline state. This results in the appearance of localized tail states in the forbidden gap above the TVB. Zinc is found to play a predominant role in the generation of these tail states, while gallium hinders their formation. Last, we study the dependence of the fundamental gap and effective mass of IGZO on mechanical strain. The variation of the gap under strain arises from the enhancement of the anti-bonding interaction in the BCB due to the modification of the length of the oxygen–metal bonds and/or to a variation of the cation coordination. This effect is less pronounced for the amorphous material compared to the crystalline material, making amorphous IGZO a semiconductor of choice for flexible electronics. Finally, the effective mass is found to increase upon strain, in contrast to regular materials. This counterintuitive variation is due to the reduction of the electrostatic shielding of the cationic centers by oxygen, leading to an increase of the overlaps between the metal orbitals at the origin of the delocalization of the BCB. For the range of strain typically met in flexible electronics, the induced

Study of structural relaxation in amorphous alloys prepared by sputtering

International Nuclear Information System (INIS)

Habibi, S.; Banaee, N.; Majidy, S.

2004-01-01

Full text: We have prepared amorphous alloy of Al x Cu 1-x (with X= 93, 90, 80, 70, 30) using sputtering system. The rate of growth was 0.7 nm/sec. X-ray diffractometer was used to conform the amorphous nature of the prepared specimens. High temperature annealing can change amorphous to crystalline structure, while low temperature annealing may transform amorphous state to a more stable amorphous state via structural relaxation of the specimen and enhancing the properties of the alloys, such as mechanical ductility etc. Here we have annealed the alloys at temperatures 100, 150, 200, 250, 300 and 350 C for 1 hour. We observed that microhardness of the specimen increases with annealing and gets maximum value at 300 C. Our XRD experiments and also earlier Moessbauer studies show that while the average interatomic distances reduces due to annealing, structure remains amorphous

Photonic crystals, amorphous materials, and quasicrystals.

Science.gov (United States)

Edagawa, Keiichi

2014-06-01

Photonic crystals consist of artificial periodic structures of dielectrics, which have attracted much attention because of their wide range of potential applications in the field of optics. We may also fabricate artificial amorphous or quasicrystalline structures of dielectrics, i.e. photonic amorphous materials or photonic quasicrystals. So far, both theoretical and experimental studies have been conducted to reveal the characteristic features of their optical properties, as compared with those of conventional photonic crystals. In this article, we review these studies and discuss various aspects of photonic amorphous materials and photonic quasicrystals, including photonic band gap formation, light propagation properties, and characteristic photonic states.

AmAMorph: Finite State Morphological Analyzer for Amazighe

Directory of Open Access Journals (Sweden)

Fatima Zahra Nejme

2016-03-01

Full Text Available This paper presents AmAMorph, a morphological analyzer for Amazighe language using a system based on the NooJ linguistic development environment. The paper begins with the development of Amazighe lexicons with large coverage formalization. The built electronic lexicons, named ‘NAmLex’, ‘VAmLex’ and ‘PAmLex’ which stand for ‘Noun Amazighe Lexicon’, ‘Verb Amazighe Lexicon’ and ‘Particles Amazighe Lexicon’, link inflectional, morphological, and syntacticsemantic information to the list of lemmas. Automated inflectional and derivational routines are applied to each lemma producing over inflected forms. To our knowledge,AmAMorph is the first morphological analyzer for Amazighe. It identifies the component morphemes of the forms using large coverage morphological grammars. Along with the description of how the analyzer is implemented, this paper gives an evaluation of the analyzer.

Novel Transrotational Solid State Order Discovered by TEM in Crystallizing Amorphous Films

Science.gov (United States)

Kolosov, Vladimir

Exotic thin crystals with unexpected transrotational microstructures have been discovered by transmission electron microscopy (TEM) for crystal growth in thin (10-100 nm) amorphous films of different chemical nature (oxides, chalcogenides, metals and alloys) prepared by various methods. Primarily we use our TEM bend contour technique. The unusual phenomenon can be traced in situ in TEM column: dislocation independent regular internal bending of crystal lattice planes in a growing crystal. Such transrotation (unit cell trans lation is complicated by small rotationrealized round an axis lying in the film plane) can result in strong regular lattice orientation gradients (up to 300 degrees per micrometer) of different geometries: cylindrical, ellipsoidal, toroidal, saddle, etc. Transrotation is increasing as the film gets thinner. Transrotational crystal resembles ideal single crystal enclosed in a curved space. Transrotational micro crystals have been eventually recognized by other authors in some vital thin film materials, i.e. PCMs for memory, silicides, SrTiO3. Atomic model and possible mechanisms of the phenomenon are discussed. New transrotational nanocrystalline model of amorphous state is also proposed Support of RF Ministry of Education and Science is acknowledged.

Achievement report for fiscal 1984 on Sunshine Program-entrusted research and development. Optical research on electronic state in amorphous silicon. (Research and development of amorphous solar cells); 1984 nendo amorphous silicon no denshi jotai no kogakuteki kenkyu seika hokokusho. Amorphous taiyo denchi no kenkyu kaihatsu

Energy Technology Data Exchange (ETDEWEB)

NONE

1985-03-01

For realizing a high-performance amorphous solar cell, research is conducted on how to evaluate the amorphous silicon film formed by glow discharge decomposition as regards its optical and photoelectric characteristics, basic physical properties of its electronic states, and its film quality and film forming conditions. Research is conducted on the mechanism of glow discharge decomposition reaction using plasma spectroscopic techniques and on the conditions of film formation, when low-temperature SiO{sub 2} film growth is caused to occur by a directly excited photo-CVD (chemical vapor deposition) method in which a deuterium lamp and Xe lamp are the exciting light sources and SiH{sub 4} and O{sub 2} are the source gases. In research on the mechanism of photoelectric conversion in an a-Si film p-I-n junction system, a method is developed of evaluating physical property parameters in accordance with a field drift type photovoltaic effect model. In research on the evaluation of the optical properties of a-Si films using modulation spectroscopy and polarization analysis, electronic states in the vicinity of the a-Si based thin film band end is examined using an ER method which is one of the modulation spectrometric methods. The constitution and electronic states of a-Si films are studied using a high-speed ion beam scattering method and electronic spectrometry. (NEDO)

Amorphous is not always better—A dissolution study on solid state forms of carbamazepine

DEFF Research Database (Denmark)

Jensen, Linda G.; Skautrup, Frederik B.; Müllertz, Anette

2017-01-01

state forms of carbamazepine, crystalline or amorphous drug, with or without either polyvinylpyrrolidone (PVP) or hydroxypropylmethylcellulose (HPMC) and glass solutions of the drug with both polymers (2:1, 4:1 and 10:1 (w/w) drug-to-polymer ratio) were tested with respect to their dissolution behaviour...... in a biorelevant gastric medium (for 30 min) and subsequently in intestinal conditions (for 2 h). Carbamazepine form III in the absence of polymer dissolved to a drug concentration of 540 μg/ml, but the concentration decreased after around 70 min due to precipitation of the dihydrate form, and reached 436 μg....../ml after 2.5 h dissolution testing. The presence of PVP led to a similar dissolution profile with a slightly earlier onset of decrease in drug concentration, while in the presence of HPMC no decline in dissolved drug concentration was observed. Surprisingly, amorphous carbamazepine did not result in any...

Structure of Cu-Ti brazing filler metal in amorphous and crystalline states

Energy Technology Data Exchange (ETDEWEB)

Maksymova, S; Khorunov, V [Paton Electric Welding Institute, NASU, 11 Bozhenko Str., Kyiv, 03680 (Ukraine); Zelinskaya, G [G.V. Kurdyumov Institute of Metal Physics, NASU, Kyiv, 03142 (Ukraine)], E-mail: maksymova@paton.kiev.ua

2008-02-15

Structure, chemical homogeneity and phase composition of rapidly quenched ribbons of brazing filler metal Ti{sub 57}Cu{sub 43} were investigated. The ribbons were found to be amorphous. The alloy components are uniformly distributed along the thickness of the strip. High-temperature differential thermal analysis was used to determine temperature ranges of the ribbons crystallization. X-ray diffraction analysis was performed to study phase composition of the rapidly quenched ribbons in the initial state and after their isothermal annealing. Two crystalline phases - {gamma}-CuTi and CuTi{sub 3} being identified in the latter case.

Solid-State Electrochromic Device Consisting of Amorphous WO3 and Various Thin Oxide Layers

Science.gov (United States)

Shizukuishi, Makoto; Shimizu, Isamu; Inoue, Eiichi

1980-11-01

A mixed oxide containing Cr2O3 was introduced into an amorphous WO3 solid-state electrochromic device (ECD) in order to improve its colour memory effect. The electrochromic characteristics were greatly affected by the chemical constituents of a dielectric layer on the a-WO3 layer. Particularly, long memory effect and low power dissipation were attained in a solid-state ECD consisting of a-WO3 and Cr2O3\\cdotV2O5(50 wt.%). Some electrochromic characteristics of the a-WO3/Cr2O3\\cdotV2O5 ECD and the role of V2O5 were investigated.

The effect of amorphization on the local structure of arsenic chalcogenides

International Nuclear Information System (INIS)

Bordovsky, G. A.; Marchenko, A. V.; Seregin, P. P.; Terukov, E. I.

2009-01-01

The effect of amorphization on the symmetry of the local environment of chalcogen atoms in As 2 S 3 , As 2 Se 3 , and As 2 Te 3 compounds has been investigated by 129 Te( 129 I) Moessbauer spectroscopy. Three states of triply coordinated tellurium atoms are indistinguishable in the Moessbauer spectra of crystalline As 2 Te 3 . Amorphization of As 2 Te 3 decreases the local symmetry of triply coordinated states of Te atoms and leads to the formation of doubly coordinated states in -As-Te-Te-As- chains. In the structure of crystalline As 2 S 3 and As 2 Se 3 , two states of doubly coordinated chalcogen atoms X in -As-X-As- chains manifest themselves in the broadening of the Moessbauer spectra. Amorphization of As 2 S 3 and As 2 Se 3 is not accompanied by a change in the local symmetry of doubly coordinated chalcogen atoms in -As-X-As- chains; however, doubly coordinated states of S and Se atoms in -As-X-X-As chains are formed in the amorphous material.

Photoemission studies of amorphous silicon induced by P + ion implantation

Science.gov (United States)

Petö, G.; Kanski, J.

1995-12-01

An amorphous Si layer was formed on a Si (1 0 0) surface by P + implantation at 80 keV. This layer was investigated by means of photoelectron spectroscopy. The resulting spectra are different from earlier spectra on amorphous Si prepared by e-gun evaporation or cathode sputtering. The differences consist of a decreased intensity in the spectral region corresponding to p-states, and appearace of new states at higher binding energy. Qualitativity similar results have been reported for Sb implanted amorphous Ge and the modification seems to be due to the changed short range order.

Amorphous GaP produced by ion implantation

International Nuclear Information System (INIS)

Shimada, T.; Kato, Y.; Shiraki, Y.; Komatsubara, K.F.

1976-01-01

Two types of non-crystalline states ('disordered' and 'amorphous') of GaP were produced by using ion implantation and post annealing. A structural-phase-transition-like annealing behaviour from the 'disordered' state to the 'amorphous' state was observed. The ion dose dependence and the annealing behaviour of the atomic structure of GaP implanted with 200 keV -N + ions were studied by using electron diffraction, backscattering and volume change measurements. The electronic structure was also investigated by measuring optical absorption and electrical conductivity. The implanted layer gradually loses the crystalline order with the increase of the nitrogen dose. The optical absorption coefficient α and electric conductivity sigma of GaP crystals implanted with 200 keV -N + ions of 1 x 10 16 cm -2 were expressed as αhν = C(hν - E 0 )sup(n) and log sigma = A -BTsup(-1/4), respectively. Moreover, the volume of the implanted layer increased about three percent and the electron diffraction pattern was diffused halo whose intensity monotonically decreases along the radial direction. These results indicate that the as-implanted layer has neither a long range order or short range order ('disordered state'). In the sample implanted at 1 x 10 16 cm -2 , a structural phase-transition-like annealing stage was observed at around 400 0 C. That is, the optical absorption coefficient abruptly fell off from 6 x 10 4 to 7 x 10 3 cm -1 and the volume of the implanted layer decreased about 2% within an increase of less than 10 degrees in the anneal temperature. Moreover, the short range order of the lattice structure appeared in the electron diffraction pattern. According to the backscattering experiment, the heavily implanted GaP was still in the non-crystalline state even after annealing. These facts suggest that heavily implanted GaP, followed by annealing at around 400 0 C, is in the 'amorphous' state, although as-implanted GaP is not in the 'amorphous' state but in the

Multivariate Quantification of the Solid State Phase Composition of Co-Amorphous Naproxen-Indomethacin

DEFF Research Database (Denmark)

Beyer, Andreas; Grohganz, Holger; Löbmann, Korbinian

2015-01-01

To benefit from the optimized dissolution properties of active pharmaceutical ingredients in their amorphous forms, co-amorphisation as a viable tool to stabilize these amorphous phases is of both academic and industrial interest. Reports dealing with the physical stability and recrystallization...... components was prepared and analyzed by XRPD. In order to test the model performances, leave-one-out cross validation was performed and revealed root mean square errors of validation between 3.11% and 3.45% for the crystalline molar fractions and 5.57% for the co-amorphous molar fraction. In summary, even...

Elemental process of amorphization induced by electron irradiation in Si

International Nuclear Information System (INIS)

Yamasaki, Jun; Takeda, Seiji; Tsuda, Kenji

2002-01-01

We recently found that amorphization is induced in Si by electron irradiation. Examining the amorphization systematically, we have established the diagram of steady states under electron irradiation, either amorphous Si (a-Si) or crystalline Si (c-Si) as a function of incident electron energy, electron dose, and irradiation temperature. Utilizing transmission electron microscopy, electron energy filtered diffraction and electron energy-loss spectroscopy, we have characterized the atomic structure, the electronic structure, and the thermal stability of a-Si induced by electron irradiation. Based on the experimental data, we have also concluded that the amorphization is caused by the accumulation of not point defects but small cascade damages. Analyzing the change in the intensity of halo diffraction rings during amorphization, we have clarified that the smallest cascade damage that contributes to amorphization includes only about four Si atoms. This presumably supports the amorphization mechanism that four self-interstitial atoms form the quasistable structure I4 in c-Si and it becomes an amorphous embryo

Amorphous metal composites

International Nuclear Information System (INIS)

Byrne, M.A.; Lupinski, J.H.

1984-01-01

This patent discloses an improved amorphous metal composite and process of making the composite. The amorphous metal composite comprises amorphous metal (e.g. iron) and a low molecular weight thermosetting polymer binder. The process comprises placing an amorphous metal in particulate form and a thermosetting polymer binder powder into a container, mixing these materials, and applying heat and pressure to convert the mixture into an amorphous metal composite

Relaxation Time of High-Density Amorphous Ice

Science.gov (United States)

Handle, Philip H.; Seidl, Markus; Loerting, Thomas

2012-06-01

Amorphous water plays a fundamental role in astrophysics, cryoelectron microscopy, hydration of matter, and our understanding of anomalous liquid water properties. Yet, the characteristics of the relaxation processes taking place in high-density amorphous ice (HDA) are unknown. We here reveal that the relaxation processes in HDA at 110-135 K at 0.1-0.2 GPa are of collective and global nature, resembling the alpha relaxation in glassy material. Measured relaxation times suggest liquid-like relaxation characteristics in the vicinity of the crystallization temperature at 145 K. By carefully relaxing pressurized HDA for several hours at 135 K, we produce a state that is closer to the ideal glass state than all HDA states discussed so far in literature.

Amorphization kinetics of Zr3Fe under electron irradiation

International Nuclear Information System (INIS)

Motta, A.T.; Howe, L.M.; Okamoto, P.R.

1994-11-01

Previous investigations using 40 Ar ion bombardments have revealed that Zr 3 Fe, which has an orthorhombic crystal structure, undergoes an irradiation-induced transformation from the crystalline to the amorphous state. In the present investigation, 0.9 MeV electron irradiations were performed at 28 - 220 K in a high-voltage electron microscope (HVEM). By measuring the onset, spread and final size of the amorphous region, factoring in the Gaussian distribution of the beam, a kinetic description of the amorphization in terms of dose, dose rate and temperature was obtained. The critical temperature for amorphization by electron irradiation was found to be ∼ 220 K, compared with 570 - 625 K for 40 Ar ion irradiation. Also, the dose-to-amorphization increased exponentially with temperature. Results indicated that the rate of growth of the amorphous region under the electron beam decreased with increasing temperature and the dose-to-amorphization decreased with increasing dose rate. The size of the amorphous region saturated after a given dose, the final size decreasing with increasing temperature, and it is argued that this is related to the existence of a critical dose rate, which increases with temperature, and below which no amorphization occurs. (author). 26 refs., 6 figs

Synthesis and electrochemical evaluation of an amorphous titanium dioxide derived from a solid state precursor

Science.gov (United States)

Joyce, Christopher D.; McIntyre, Toni; Simmons, Sade; LaDuca, Holly; Breitzer, Jonathan G.; Lopez, Carmen M.; Jansen, Andrew N.; Vaughey, J. T.

Titanium oxides are an important class of lithium-ion battery electrodes owing to their good capacity and stability within the cell environment. Although most Ti(IV) oxides are poor electronic conductors, new methods developed to synthesize nanometer scale primary particles have achieved the higher rate capability needed for modern commercial applications. In this report, the anionic water stable titanium oxalate anion [TiO(C 2O 4) 2] 2- was isolated in high yield as the insoluble DABCO (1,4-diazabicyclo[2.2.2]octane) salt. Powder X-ray diffraction studies show that the titanium dioxide material isolated after annealing in air is initially amorphous, converts to N-doped anatase above 400 °C, then to rutile above 600 °C. Electrochemical studies indicate that the amorphous titanium dioxide phase within a carbon matrix has a stable cycling capacity of ∼350 mAh g -1. On crystallizing at 400 °C to a carbon-coated anatase the capacity drops to 210 mAh g -1, and finally upon carbon burn-off to 50 mAh g -1. Mixtures of the amorphous titanium dioxide and Li 4Ti 5O 12 showed a similar electrochemical profile and capacity to Li 4Ti 5O 12 but with the addition of a sloping region to the end of the discharge curve that could be advantageous for determining state-of-charge in systems using Li 4Ti 5O 12.

Aluminium base amorphous and crystalline alloys with Fe impurity

International Nuclear Information System (INIS)

Sitek, J.; Degmova, J.

2006-01-01

Aluminium base alloys show remarkable mechanical properties, however their low thermal stability still limits the technological applications. Further improvement of mechanical properties can be reached by partial crystallization of amorphous alloys, which gives rise to nanostructured composites. Our work was focused on aluminium based alloys with Fe, Nb and V additions. Samples of nominal composition Al 90 Fe 7 Nb 3 and Al 94 Fe 2 V 4 were studied in amorphous state and after annealing up to 873 K. From Moessbauer spectra taken on the samples in amorphous state the value of f-factor was determined as well as corresponding Debye temperatures were calculated. Annealing at higher temperatures induced nano and microcrystalline crystallization. Moessbauer spectra of samples annealed up to 573 K are fitted only by distribution of quadrupole doublets corresponding to the amorphous state. An increase of annealing temperature leads to the structural transformation, which consists in growth of nanometer sized aluminium nuclei. This is partly reflected in Moessbauer parameters. After annealing at 673 K intermetallic phase Al 3 Fe and other Al-Fe phases are created. In this case Moessbauer spectra are fitted by quadrupole doublets. During annealing up to 873 K large grains of Fe-Al phases are created. (authors)

Superconducting and normal properties of metallic amorphous systems

International Nuclear Information System (INIS)

Esquinazi, P.D.

1983-02-01

The superconducting and transport properties (superconducing critical temperature, superconducting critical currents, electric resistivity and thermal conductivity) of the amorphous alloys La 70 Cu 30 and Zr 70 Cu 30 prepared by melt spinning have been investigated. The modification of these properties when, the initial amorphous metals relax to other metastable state under thermal treatment at below crystallization temperatures, have also been studied. (M.E.L.) [es

Electronic transport in amorphous phase-change materials

International Nuclear Information System (INIS)

Luckas, Jennifer Maria

2012-01-01

Phase change materials combine a pronounced contrast in resistivity and reflectivity between their disordered amorphous and ordered crystalline state with very fast crystallization kinetics. Due to this exceptional combination of properties phase-change materials find broad application in non-volatile optical memories such as CD, DVD or Bluray Disc. Furthermore, this class of materials demonstrates remarkable electrical transport phenomena in their disordered state, which have shown to be crucial for their application in electronic storage devices. The threshold switching phenomenon denotes the sudden decrease in resistivity beyond a critical electrical threshold field. The threshold switching phenomenon facilitates the phase transitions at practical small voltages. Below this threshold the amorphous state resistivity is thermally activated and is observed to increase with time. This effect known as resistance drift seriously hampers the development of multi-level storage devices. Hence, understanding the physical origins of threshold switching and resistance drift phenomena is crucial to improve non-volatile phase-change memories. Even though both phenomena are often attributed to localized defect states in the band gap, the defect state density in amorphous phase-change materials has remained poorly studied. Starting from a brief introduction of the physics of phase-change materials this thesis summarizes the most important models behind electrical switching and resistance drift with the aim to discuss the role of localized defect states. The centerpiece of this thesis is the investigation of defects state densities in different amorphous phase-change materials and electrical switching chalcogenides. On the basis of Modulated Photo Current (MPC) Experiments and Photothermal Deflection Spectroscopy, a sophisticated band model for the disordered phase of the binary phase-change alloy GeTe has been developed. By this direct experimental approach the band-model for a

Electronic transport in amorphous phase-change materials

Energy Technology Data Exchange (ETDEWEB)

Luckas, Jennifer Maria

2012-09-14

Phase change materials combine a pronounced contrast in resistivity and reflectivity between their disordered amorphous and ordered crystalline state with very fast crystallization kinetics. Due to this exceptional combination of properties phase-change materials find broad application in non-volatile optical memories such as CD, DVD or Bluray Disc. Furthermore, this class of materials demonstrates remarkable electrical transport phenomena in their disordered state, which have shown to be crucial for their application in electronic storage devices. The threshold switching phenomenon denotes the sudden decrease in resistivity beyond a critical electrical threshold field. The threshold switching phenomenon facilitates the phase transitions at practical small voltages. Below this threshold the amorphous state resistivity is thermally activated and is observed to increase with time. This effect known as resistance drift seriously hampers the development of multi-level storage devices. Hence, understanding the physical origins of threshold switching and resistance drift phenomena is crucial to improve non-volatile phase-change memories. Even though both phenomena are often attributed to localized defect states in the band gap, the defect state density in amorphous phase-change materials has remained poorly studied. Starting from a brief introduction of the physics of phase-change materials this thesis summarizes the most important models behind electrical switching and resistance drift with the aim to discuss the role of localized defect states. The centerpiece of this thesis is the investigation of defects state densities in different amorphous phase-change materials and electrical switching chalcogenides. On the basis of Modulated Photo Current (MPC) Experiments and Photothermal Deflection Spectroscopy, a sophisticated band model for the disordered phase of the binary phase-change alloy GeTe has been developed. By this direct experimental approach the band-model for a

The Structure of Liquid and Amorphous Hafnia

Directory of Open Access Journals (Sweden)

Leighanne C. Gallington

2017-11-01

Full Text Available Understanding the atomic structure of amorphous solids is important in predicting and tuning their macroscopic behavior. Here, we use a combination of high-energy X-ray diffraction, neutron diffraction, and molecular dynamics simulations to benchmark the atomic interactions in the high temperature stable liquid and low-density amorphous solid states of hafnia. The diffraction results reveal an average Hf–O coordination number of ~7 exists in both the liquid and amorphous nanoparticle forms studied. The measured pair distribution functions are compared to those generated from several simulation models in the literature. We have also performed ab initio and classical molecular dynamics simulations that show density has a strong effect on the polyhedral connectivity. The liquid shows a broad distribution of Hf–Hf interactions, while the formation of low-density amorphous nanoclusters can reproduce the sharp split peak in the Hf–Hf partial pair distribution function observed in experiment. The agglomeration of amorphous nanoparticles condensed from the gas phase is associated with the formation of both edge-sharing and corner-sharing HfO6,7 polyhedra resembling that observed in the monoclinic phase.

Fabrication and application of amorphous semiconductor devices

International Nuclear Information System (INIS)

Kumurdjian, Pierre.

1976-01-01

This invention concerns the design and manufacture of elecric switching or memorisation components with amorphous semiconductors. As is known some compounds, particularly the chalcogenides, have a resistivity of the semiconductor type in the amorphous solid state. These materials are obtained by the high temperature homogeneisation of several single elements such as tellurium, arsenic, germanium and sulphur, followed by water or air quenching. In particular these compounds have useful switching and memorisation properties. In particular they have the characteristic of not suffering deterioration when placed in an environment subjected to nuclear radiations. In order to know more about the nature and properties of these amorphous semiconductors the French patent No. 71 28048 of 30 June 1971 may be consulted with advantage [fr

Neutron diffraction and thermal studies of amorphous CS2 realised by low-temperature vapour deposition

International Nuclear Information System (INIS)

Yamamuro, O.; Matsuo, T.; Onoda-Yamamuro, N.; Takeda, K.; Munemura, H.; Tanaka, S.; Misawa, M.

2003-01-01

We have succeeded in preparing amorphous carbon disulphide (CS 2 ) by depositing its vapour on a cold substrate at 10 K. Complete formation of the amorphous state has been confirmed by neutron diffraction and differential thermal analysis (DTA). The amorphous sample crystallized at ca. 70 K, which is lower than the hypothetical glass transition temperature (92 K) estimated from the DTA data of the (CS 2 ) x (S 2 Cl 2 ) 1-x binary mixture. CS 2 , a symmetric linear tri-atomic molecule, is the simplest of the amorphized molecular substances whose structural and thermal information has been reported so far. Comparison of the static structure factors S(Q) has shown that the orientational correlation of CS 2 molecules may be much stronger in the amorphous state than in the liquid state at higher temperature. (authors)

Structural and dynamical properties of the Cu{sub 46}Zr{sub 54} alloy in crystalline, amorphous and liquid state: A molecular dynamic study

Energy Technology Data Exchange (ETDEWEB)

Valencia-Balvin, Camilo, E-mail: cavalen@fisica.udea.edu.c [Instituto de Fisica, Universidad de Antioquia, A.A. 1226 Medellin (Colombia); ITM Institucion Universitaria, A.A 54959 Medellin (Colombia); Loyola, Claudia [Departamento de Fisica, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago (Chile); Osorio-Guillen, Jorge [Instituto de Fisica, Universidad de Antioquia, A.A. 1226 Medellin (Colombia); Gutierrez, Gonzalo [Departamento de Fisica, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago (Chile)

2010-12-15

Molecular dynamics simulations for the crystal, amorphous and liquid Cu{sub 46}Zr{sub 54} alloy were carried out on a system with up to 2000 particles, using a pairwise potential of the Rosato-Guillope-Legrand type. All simulations were done in the microcanonical ensemble, for a initial density of 5.76 g/cm{sup 3}, at different temperatures. A detailed analysis has been made by means of the pair-correlation function, coordination number, angle distribution, diffusion coefficient and vibrational density of states. We compared the main peaks of the amorphous phase with experimental data, obtaining a good agreement. The analysis of coordination number for the amorphous phase shows that the main building block of this phase are distorted icosahedron.

Localized solid-state amorphization at grain boundaries in a nanocrystalline Al solid solution subjected to surface mechanical attrition

Energy Technology Data Exchange (ETDEWEB)

Wu, X [State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100080 (China); Tao, N [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Hong, Y [State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100080 (China); Lu, J [LASMIS, University of Technology of Troyes, 10000, Troyes (France); Lu, K [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China)

2005-11-21

Using high-resolution electron microscopy, localized solid-state amorphization (SSA) was observed in a nanocrystalline (NC) Al solid solution (weight per cent 4.2 Cu, 0.3 Mn, the rest being Al) subjected to a surface mechanical attrition treatment. It was found that the deformation-induced SSA may occur at the grain boundary (GB) where either the high density dislocations or dislocation complexes are present. It is suggested that lattice instability due to elastic distortion within the dislocation core region plays a significant role in the initiation of the localized SSA at defective sites. Meanwhile, the GB of severely deformed NC grains exhibits a continuously varying atomic structure in such a way that while most of the GB is ordered but reveals corrugated configurations, localized amorphization may occur along the same GB.

Amorphization, morphological instability and crystallization of krypton ion irradiated germanium

International Nuclear Information System (INIS)

Wang, L.M.; Birtcher, R.C.

1991-01-01

Krypton ion irradiation of crystalline Ge and subsequent thermal annealing were both carried out with in situ transmission electron microscopy observations. The temperature dependence of the amorphization dose, effect of foil thickness, morphological changes during continuous irradiation of the amorphous state as well as the effect of implanted gas have been determined. The dose of 1.5 MeV Kr required for amorphization increases with increasing temperature. At a fixed temperature, the amorphization dose is higher for thicker regions of the specimen. Continuous irradiation of amorphous Ge at room temperature results in a high density of small cavities which grow with increasing dose. Cavities do not coalesce during growth but develop into irregular-shaped holes that eventually transform the amorphous Ge into a sponge-like material. Formation of the spongy structure is independent of Kr implantation. The crystallization temperature and the morphology of recrystallized Ge depend on the Kr + dose. Voids are expelled from recrystallized Ge, while the sponge-like structure is retained after crystallization. (author)

Molecular dynamics in supercooled liquid and glassy states of antibiotics: azithromycin, clarithromycin and roxithromycin studied by dielectric spectroscopy. Advantages given by the amorphous state.

Science.gov (United States)

Adrjanowicz, K; Zakowiecki, D; Kaminski, K; Hawelek, L; Grzybowska, K; Tarnacka, M; Paluch, M; Cal, K

2012-06-04

Antibiotics are chemical compounds of extremely important medical role. Their history can be traced back more than one hundred years. Despite the passing time and significant progress made in pharmacy and medicine, treatment of many bacterial infections without antibiotics would be completely impossible. This makes them particularly unique substances and explains the unflagging popularity of antibiotics within the medical community. Herein, using dielectric spectroscopy we have studied the molecular mobility in the supercooled liquid and glassy states of three well-known antibiotic agents: azithromycin, clarithromycin and roxithromycin. Dielectric studies revealed a number of relaxation processes of different molecular origin. Besides the primary α-relaxation, observed above the respective glass transition temperatures of antibiotics, two secondary relaxations in the glassy state were identified. Interestingly, the fragility index as well as activation energies of the secondary processes turned out to be practically the same for all three compounds, indicating probably much the same molecular dynamics. Long-term stability of amorphous antibiotics at room temperature was confirmed by X-ray diffraction technique, and calorimetric studies were performed to evaluate the basic thermodynamic parameters. Finally, we have also checked the experimental solubility advantages given by the amorphous form of the examined antibiotics.

Measurement of the saturation magnetostriction constant of amorphous wire

International Nuclear Information System (INIS)

Mitra, A.; Vazquez, M.

1990-01-01

Measurement of the magnetostriction constant of amorphous wire by conventional techniques is very difficult because of its small diameter. However, accurate determination of the magnetostriction constant is important in the study of amorphous wires. Here the saturation magnetostriction constant (λ s ) for a low-magnetostriction amorphous wire of nominal composition (Fe 6.3 Co 92.7 Nb 1 ) 77.5 Si 7.5 B 15 has been determined by means of the small-angle magnetization-rotation method. λ s has been evaluated to be 2.1x10 -7 for its as-received state. The dependence of thermal treatment is also reported

Molecular simulation of freestanding amorphous nickel thin films

Energy Technology Data Exchange (ETDEWEB)

Dong, T.Q. [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, UMR 8208 CNRS, 5 Boulevard Descartes, 77454 Marne-la-Vallée, Cedex 2 (France); Hoang, V.V., E-mail: vvhoang2002@yahoo.com [Department of Physics, Institute of Technology, National University of Ho Chi Minh City, 268 Ly Thuong Kiet Street, District 10, Ho Chi Minh City (Viet Nam); Lauriat, G. [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, UMR 8208 CNRS, 5 Boulevard Descartes, 77454 Marne-la-Vallée, Cedex 2 (France)

2013-10-31

Size effects on glass formation in freestanding Ni thin films have been studied via molecular dynamics simulation with the n-body Gupta interatomic potential. Atomic mechanism of glass formation in the films is determined via analysis of the spatio-temporal arrangements of solid-like atoms occurred upon cooling from the melt. Solid-like atoms are detected via the Lindemann ratio. We find that solid-like atoms initiate and grow mainly in the interior of the film and grow outward. Their number increases with decreasing temperature and at a glass transition temperature they dominate in the system to form a relatively rigid glassy state of a thin film shape. We find the existence of a mobile surface layer in both liquid and glassy states which can play an important role in various surface properties of amorphous Ni thin films. We find that glass formation is size independent for models containing 4000 to 108,000 atoms. Moreover, structure of amorphous Ni thin films has been studied in details via coordination number, Honeycutt–Andersen analysis, and density profile which reveal that amorphous thin films exhibit two different parts: interior and surface layer. The former exhibits almost the same structure like that found for the bulk while the latter behaves a more porous structure containing a large amount of undercoordinated sites which are the origin of various surface behaviors of the amorphous Ni or Ni-based thin films found in practice. - Highlights: • Glass formation is analyzed via spatio-temporal arrangements of solid-like atoms. • Amorphous Ni thin film exhibits two different parts: surface and interior. • Mobile surface layer enhances various surface properties of the amorphous Ni thin films. • Undercoordinated sites play an important role in various surface activities.

Modification of dielectric function and electronic structure of the alloys at the phase transformation amorphous-crystalline state

International Nuclear Information System (INIS)

Belij, M.U.; Poperenko, L.V.; Shajkevich, I.A.; Karpusha, V.D.; Kravets, V.G.

1989-01-01

The relation between the features of the optical spectrum and the electronic structure parameters for non-crystalline nickel- and iron-based alloys is not yet precisely found. Therefore the main purpose of the study consists in investigation of the basic metal band structure modification at metalloid alloying. The density of electron states N(E) and structural parameters of amorphous alloys nickel-M, iron-M, Fe-TM-M (M - metalloid B,Si,C; TM - transition metal 3d (Ti,V,Cr,Mn,Co,Ni), 4d (Nb,Mo), 5d (Hf,Ta,W) and their transformation changes from amorphous (AS) to crystalline state (CS) have been determined. The methods of ellipsometry, Auger-spectroscopy and X-ray absorption spectroscopy are used. The function N(E) of the Ni- and Fe-based alloys has shown 4 density-of-states peaks, one of them located above the Fermi level E F and the others - below it. The observed features of the absorbed spectra of Ni-M (M = B,P) are related both to the interband transition from the levels falling into the occupied peaks of N(E) to the levels at E F , and to the 1-peak-states. When B increases the distance between 1-peak and E F decreases. With introduction of the TM atoms into Fe-B the impurities states related to them are formed above E F . From the X-ray data the cluster with nonhomogeneous electronic density for FeBSi (7.0 nm) and FeNbBSi (7.0 and 4.2 nm along and transverse to foil respectively) are estimated. The frequencies of relaxation and plasma oscillations are also calculated. (author)

Plasma deposition of amorphous silicon-based materials

CERN Document Server

Bruno, Giovanni; Madan, Arun

1995-01-01

Semiconductors made from amorphous silicon have recently become important for their commercial applications in optical and electronic devices including FAX machines, solar cells, and liquid crystal displays. Plasma Deposition of Amorphous Silicon-Based Materials is a timely, comprehensive reference book written by leading authorities in the field. This volume links the fundamental growth kinetics involving complex plasma chemistry with the resulting semiconductor film properties and the subsequent effect on the performance of the electronic devices produced. Key Features * Focuses on the plasma chemistry of amorphous silicon-based materials * Links fundamental growth kinetics with the resulting semiconductor film properties and performance of electronic devices produced * Features an international group of contributors * Provides the first comprehensive coverage of the subject, from deposition technology to materials characterization to applications and implementation in state-of-the-art devices.

Amorphous nickel/cobalt tungsten sulfide electrocatalysts for high-efficiency hydrogen evolution reaction

Energy Technology Data Exchange (ETDEWEB)

Yang, Lun [Key Laboratory of Modern Acoustics, MOE, Institute of Acoustics and Collaborative Innovation Center of Advanced Microstructures, National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Wu, Xinglong, E-mail: hkxlwu@nju.edu.cn [Key Laboratory of Modern Acoustics, MOE, Institute of Acoustics and Collaborative Innovation Center of Advanced Microstructures, National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Department of Physics, NingBo University, NingBo 315001 (China); Zhu, Xiaoshu [Center for Analysis and Testing, Nanjing Normal University, Nanjing 210093 (China); He, Chengyu; Meng, Ming; Gan, Zhixing [Key Laboratory of Modern Acoustics, MOE, Institute of Acoustics and Collaborative Innovation Center of Advanced Microstructures, National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China); Chu, Paul K. [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China)

2015-06-30

Graphical abstract: - Highlights: • Amorphous nickel/cobalt tungsten sulfides were synthesized by a thermolytic process. • Amorphous NiWS and CoWS could realize hydrogen evolution efficiently. • Ni/Co promotion and annealing alter the porous structure and chemical bonding states. • Active sites on the surface of amorphous WS{sub x} are increased with Ni or Co doping. • Amorphous NiWS and CoWS have immense potentials in water splitting devices. - Abstract: The hydrogen evolution reaction (HER), an appealing solution for future energy supply, requires efficient and inexpensive electrocatalysts with abundant active surface sites. Although crystalline MoS{sub 2} and WS{sub 2} are promising candidates, their activity is dominated by edge sites. Amorphous tungsten sulfide prepared so far lacks the required active sites and its application has thus been hampered. In this work, nickel and cobalt incorporated amorphous tungsten sulfide synthesized by a thermolytic process is demonstrated to enhance the HER efficiency dramatically. The amorphous nickel tungsten sulfide (amorphous NiWS) annealed at 210 °C delivers the best HER performance in this system boasting a Tafel slope of 55 mV per decade and current density of 8.6 mA cm{sup −2} at 250 mV overpotential in a sustained test for 24 h. The introduction of Ni or Co into the catalyst and subsequent thermal treatment alters the porous structure and chemical bonding states thereby increasing the density of active sites on the surface.

Theory of amorphous ices.

Science.gov (United States)

Limmer, David T; Chandler, David

2014-07-01

We derive a phase diagram for amorphous solids and liquid supercooled water and explain why the amorphous solids of water exist in several different forms. Application of large-deviation theory allows us to prepare such phases in computer simulations. Along with nonequilibrium transitions between the ergodic liquid and two distinct amorphous solids, we establish coexistence between these two amorphous solids. The phase diagram we predict includes a nonequilibrium triple point where two amorphous phases and the liquid coexist. Whereas the amorphous solids are long-lived and slowly aging glasses, their melting can lead quickly to the formation of crystalline ice. Further, melting of the higher density amorphous solid at low pressures takes place in steps, transitioning to the lower-density glass before accessing a nonequilibrium liquid from which ice coarsens.

AmAMorph: Finite State Morphological Analyzer for Amazighe

OpenAIRE

Fatima Zahra Nejme; Siham Boulaknadel; Driss Aboutajdine

2016-01-01

This paper presents AmAMorph, a morphological analyzer for Amazighe language using a system based on the NooJ linguistic development environment. The paper begins with the development of Amazighe lexicons with large coverage formalization. The built electronic lexicons, named ‘NAmLex’, ‘VAmLex’ and ‘PAmLex’ which stand for ‘Noun Amazighe Lexicon’, ‘Verb Amazighe Lexicon’ and ‘Particles Amazighe Lexicon’, link inflectional, morphological, and syntacticsemantic information to the list of lemmas...

On the structure of amorphous calcium carbonate--a detailed study by solid-state NMR spectroscopy.

Science.gov (United States)

Nebel, Holger; Neumann, Markus; Mayer, Christian; Epple, Matthias

2008-09-01

The calcium carbonate phases calcite, aragonite, vaterite, monohydrocalcite (calcium carbonate monohydrate), and ikaite (calcium carbonate hexahydrate) were studied by solid-state NMR spectroscopy ( (1)H and (13)C). Further model compounds were sodium hydrogencarbonate, potassium hydrogencarbonate, and calcium hydroxide. With the help of these data, the structure of synthetically prepared additive-free amorphous calcium carbonate (ACC) was analyzed. ACC contains molecular water (as H 2O), a small amount of mobile hydroxide, and no hydrogencarbonate. This supports the concept of ACC as a transient precursor in the formation of calcium carbonate biominerals.

Joint ESRF-Cecam workshop polymorphous in liquid and amorphous matter

International Nuclear Information System (INIS)

Price, D.L.; Hennet, L.; Krishnan, S.; Sinn, H.; Alp, E.E.; Saboungi, M.L.; Holland-Moritz, D.; Mossa, S.; Tarjus, G.; Trapananti, A.; Di Cicco, A.; Filipponi, A.; Tanaka, H.; Soper, A.K.; Strassle, Th.; Klotz, S.; Hamel, G.; Nelmes, R.J.; Loveday, J.S.; Rousse, G.; Canny, B.; Chervin, J.C.; Saitta, M.; Marek Koza, M.; Schober, H.; Geiger, A.; Brovchenko, I.; Oleinikova, A.; Strassle, T.; Reichert, H.; Jakse, N.; Lebacq, O.; Pasturel, A.; Salmon, P.S.; Martin, R.A.; Massobrio, C.; Poon, W.C.K.; Pham, K.N.; Voigtmann, Th.; Egelhaaf, S.U.; Pusey, P.N.; Petukhov, A.V.; Dolbnya, I.P.; Vroege, G.J.; Lekkerkerker, H.N.W.; Konig, H.; Keen, D.A.; Benedetti, L.R.; Sihachakr, D.; Dewaele, A.; Weck, G.; Crichton, W.; Mezouar, M.; Loubeyre, P.; Shimojo, F.; Ferlat, G.; San Miguel, A.; Xu, H.; Martinez-Garcia, D.; Zuniga, J.; Munoz-Sanjose, V.; Felipponi, A.; Panfilis, S. de; Di Cicco, A.; Guthrie, M.; Tulk, C.A.; Bemore, C.J.; Xu, J.; Yarger, J.L.; Mao, H.K.; Hemley, R.J.

2004-01-01

This workshop is dedicated to new trends in the simulation and experimental studies of liquid and amorphous matter. Particular emphasis is given to polymorphism in equilibrium and under-cooled metastable liquids, glasses and to amorphous network-forming systems. 5 mains sessions over the 3 days have been organized: 1) under-cooled liquid metals, 2) liquid, glassy and amorphous semiconductors, 3) water and related systems, 4) colloids, macro-molecules and biological cells, and 5) state-of-the-art in experimental and theoretical investigations. This document gathers the abstracts of the presentations

Joint ESRF-Cecam workshop polymorphous in liquid and amorphous matter

Energy Technology Data Exchange (ETDEWEB)

Price, D.L.; Hennet, L.; Krishnan, S.; Sinn, H.; Alp, E.E.; Saboungi, M.L.; Holland-Moritz, D.; Mossa, S.; Tarjus, G.; Trapananti, A.; Di Cicco, A.; Filipponi, A.; Tanaka, H.; Soper, A.K.; Strassle, Th.; Klotz, S.; Hamel, G.; Nelmes, R.J.; Loveday, J.S.; Rousse, G.; Canny, B.; Chervin, J.C.; Saitta, M.; Marek Koza, M.; Schober, H.; Geiger, A.; Brovchenko, I.; Oleinikova, A.; Strassle, T.; Reichert, H.; Jakse, N.; Lebacq, O.; Pasturel, A.; Salmon, P.S.; Martin, R.A.; Massobrio, C.; Poon, W.C.K.; Pham, K.N.; Voigtmann, Th.; Egelhaaf, S.U.; Pusey, P.N.; Petukhov, A.V.; Dolbnya, I.P.; Vroege, G.J.; Lekkerkerker, H.N.W.; Konig, H.; Keen, D.A.; Benedetti, L.R.; Sihachakr, D.; Dewaele, A.; Weck, G.; Crichton, W.; Mezouar, M.; Loubeyre, P.; Shimojo, F.; Ferlat, G.; San Miguel, A.; Xu, H.; Martinez-Garcia, D.; Zuniga, J.; Munoz-Sanjose, V.; Felipponi, A.; Panfilis, S. de; Di Cicco, A.; Guthrie, M.; Tulk, C.A.; Bemore, C.J.; Xu, J.; Yarger, J.L.; Mao, H.K.; Hemley, R.J

2004-07-01

This workshop is dedicated to new trends in the simulation and experimental studies of liquid and amorphous matter. Particular emphasis is given to polymorphism in equilibrium and under-cooled metastable liquids, glasses and to amorphous network-forming systems. 5 mains sessions over the 3 days have been organized: 1) under-cooled liquid metals, 2) liquid, glassy and amorphous semiconductors, 3) water and related systems, 4) colloids, macro-molecules and biological cells, and 5) state-of-the-art in experimental and theoretical investigations. This document gathers the abstracts of the presentations.

Nucleation of Organic Molecules via a Hot Precursor State: Pentacene on Amorphous Mica

Science.gov (United States)

2013-01-01

Organic thin films have attracted considerable interest due to their applicability in organic electronics. The classical scenario for thin film nucleation is the diffusion-limited aggregation (DLA). Recently, it has been shown that organic thin film growth is better described by attachment-limited aggregation (ALA). However, in both cases, an unusual relationship between the island density and the substrate temperature was observed. Here, we present an aggregation model that goes beyond the classical DLA or ALA models to explain this behavior. We propose that the (hot) molecules impinging on the surface cannot immediately equilibrate to the substrate temperature but remain in a hot precursor state. In this state, the molecules can migrate considerable distances before attaching to a stable or unstable island. This results in a significantly smaller island density than expected by assuming fast equilibration and random diffusion. We have applied our model to pentacene film growth on amorphous Muscovite mica. PMID:24340130

Cooling rate effects on structure of amorphous graphene

International Nuclear Information System (INIS)

Van Hoang, Vo

2015-01-01

Simple monatomic amorphous 2D models with Honeycomb structure are obtained from 2D simple monatomic liquids with Honeycomb interaction potential (Rechtsman et al., Phys. Rev. Lett. 95, 228301 (2005)) via molecular dynamics (MD) simulations. Models are observed by cooling from the melt at various cooling rates. Temperature dependence of thermodynamic and structural properties including total energy, mean ring size, mean coordination number is studied in order to show evolution of structure and thermodynamics upon cooling from the melt. Structural properties of the amorphous Honeycomb structures are studied via radial distribution function (RDF), coordination number and ring distributions together with 2D visualization of the atomic configurations. Amorphous Honeycomb structures contain a large amount of structural defects including new ones which have not been previously reported yet. Cooling rate dependence of structural properties of the obtained amorphous Honeycomb structures is analyzed. Although amorphous graphene has been proposed theoretically and/or recently obtained by the experiments, our understanding of structural properties of the system is still poor. Therefore, our simulations highlight the situation and give deeper understanding of structure and thermodynamics of the glassy state of this novel 2D material

Amorphous ices explained in terms of nonequilibrium phase transitions in supercooled water

Science.gov (United States)

Limmer, David; Chandler, David

2013-03-01

We analyze the phase diagram of supercooled water out-of-equilibrium using concepts from space-time thermodynamics and the dynamic facilitation theory of the glass transition, together with molecular dynamics simulations. We find that when water is driven out-of-equilibrium, it can exist in multiple amorphous states. In contrast, we find that when water is at equilibrium, it can exist in only one liquid state. The amorphous non-equilibrium states are solids, distinguished from the liquid by their lack of mobility, and distinguished from each other by their different densities and local structure. This finding explains the experimentally observed polyamorphism of water as a class of nonequilibrium phenomena involving glasses of different densities. While the amorphous solids can be long lived, they are thermodynamically unstable. When allowed to relax to equilibrium, they crystallize with pathways that pass first through liquid state configurations and then to ordered ice.

Unipolar time-differential charge sensing in non-dispersive amorphous solids

International Nuclear Information System (INIS)

Goldan, A. H.; Rowlands, J. A.; Tousignant, O.; Karim, K. S.

2013-01-01

The use of high resistivity amorphous solids as photodetectors, especially amorphous selenium, is currently of great interest because they are readily produced over large area at substantially lower cost compared to grown crystalline solids. However, amorphous solids have been ruled out as viable radiation detection media for high frame-rate applications, such as single-photon-counting imaging, because of low carrier mobilities, transit-time-limited photoresponse, and consequently, poor time resolution. To circumvent the problem of poor charge transport in amorphous solids, we propose unipolar time-differential charge sensing by establishing a strong near-field effect using an electrostatic shield within the material. For the first time, we have fabricated a true Frisch grid inside a solid-state detector by evaporating amorphous selenium over photolithographically prepared multi-well substrates. The fabricated devices are characterized with optical, x-ray, and gamma-ray impulse-like excitations. Results prove the proposed unipolar time-differential property and show that time resolution in non-dispersive amorphous solids can be improved substantially to reach the theoretical limit set by spatial spreading of the collected Gaussian carrier cloud.

Iron-based amorphous alloys and methods of synthesizing iron-based amorphous alloys

Science.gov (United States)

Saw, Cheng Kiong; Bauer, William A.; Choi, Jor-Shan; Day, Dan; Farmer, Joseph C.

2016-05-03

A method according to one embodiment includes combining an amorphous iron-based alloy and at least one metal selected from a group consisting of molybdenum, chromium, tungsten, boron, gadolinium, nickel phosphorous, yttrium, and alloys thereof to form a mixture, wherein the at least one metal is present in the mixture from about 5 atomic percent (at %) to about 55 at %; and ball milling the mixture at least until an amorphous alloy of the iron-based alloy and the at least one metal is formed. Several amorphous iron-based metal alloys are also presented, including corrosion-resistant amorphous iron-based metal alloys and radiation-shielding amorphous iron-based metal alloys.

Neutron diffraction and thermal studies of amorphous CS{sub 2} realised by low-temperature vapour deposition

Energy Technology Data Exchange (ETDEWEB)

Yamamuro, O.; Matsuo, T. [Osaka Univ., Dept. of Chemistry, Graduate School of Sciences (Japan); Onoda-Yamamuro, N. [Tokyo Denki Univ., College of Sciences and Technology (Japan); Takeda, K. [Naruto Univ., Dept. of Chemistry, Tokushima (Japan); Munemura, H.; Tanaka, S.; Misawa, M. [Niigata Univ. (Japan). Faculty of Science

2003-08-01

We have succeeded in preparing amorphous carbon disulphide (CS{sub 2}) by depositing its vapour on a cold substrate at 10 K. Complete formation of the amorphous state has been confirmed by neutron diffraction and differential thermal analysis (DTA). The amorphous sample crystallized at ca. 70 K, which is lower than the hypothetical glass transition temperature (92 K) estimated from the DTA data of the (CS{sub 2}){sub x}(S{sub 2}Cl{sub 2}){sub 1-x} binary mixture. CS{sub 2}, a symmetric linear tri-atomic molecule, is the simplest of the amorphized molecular substances whose structural and thermal information has been reported so far. Comparison of the static structure factors S(Q) has shown that the orientational correlation of CS{sub 2} molecules may be much stronger in the amorphous state than in the liquid state at higher temperature. (authors)

Evolution of Defect Structures and Deep Subgap States during Annealing of Amorphous In-Ga-Zn Oxide for Thin-Film Transistors

Science.gov (United States)

Jia, Junjun; Suko, Ayaka; Shigesato, Yuzo; Okajima, Toshihiro; Inoue, Keiko; Hosomi, Hiroyuki

2018-01-01

We investigate the evolution behavior of defect structures and the subgap states in In-Ga-Zn oxide (IGZO) films with increasing postannealing temperature by means of extended x-ray absorption fine-structure (EXAFS) measurements, positron annihilation lifetime spectroscopy (PALS), and cathodoluminescence (CL) spectroscopy, aiming to understand the relationship between defect structures and subgap states. EXAFS measurements reveal the varied oxygen coordination numbers around cations during postannealing and confirm two types of point defects, namely, excess oxygen around Ga atoms and oxygen deficiency around In and/or Zn atoms. PALS suggests the existence of cation-vacancy (VM )-related clusters with neutral or negative charge in both amorphous and polycrystalline IGZO films. CL spectra show a main emission band at approximately 1.85 eV for IGZO films, and a distinct shoulder located at about 2.15 eV for IGZO films postannealed above 600 °C . These two emission bands are assigned to a recombination between the electrons in the conduction band and/or in the shallow donor levels near the conduction band and the acceptors trapped above the valence-band maximum. The shallow donors are attributed to the oxygen deficiency, and the acceptors are thought to possibly arise from the excess oxygen or the VM-related clusters. These results open up an alternative route for understanding the device instability of amorphous IGZO-based thin-film transistors, especially the presence of the neutral or negatively charged VM-related clusters in amorphous IGZO films.

Hydrogen in amorphous silicon

International Nuclear Information System (INIS)

Peercy, P.S.

1980-01-01

The structural aspects of amorphous silicon and the role of hydrogen in this structure are reviewed with emphasis on ion implantation studies. In amorphous silicon produced by Si ion implantation of crystalline silicon, the material reconstructs into a metastable amorphous structure which has optical and electrical properties qualitatively similar to the corresponding properties in high-purity evaporated amorphous silicon. Hydrogen studies further indicate that these structures will accomodate less than or equal to 5 at.% hydrogen and this hydrogen is bonded predominantly in a monohydride (SiH 1 ) site. Larger hydrogen concentrations than this can be achieved under certain conditions, but the excess hydrogen may be attributed to defects and voids in the material. Similarly, glow discharge or sputter deposited amorphous silicon has more desirable electrical and optical properties when the material is prepared with low hydrogen concentration and monohydride bonding. Results of structural studies and hydrogen incorporation in amorphous silicon were discussed relative to the different models proposed for amorphous silicon

Kinetics and formation mechanism of amorphous Fe52Nb48 alloy powder fabricated by mechanical alloying

International Nuclear Information System (INIS)

El-Eskandarany, S.

1999-01-01

A single phase amorphous Fe 52 Nb 48 alloy has been synthesized through a solid state interdiffusion of pure polycrystalline Fe and Nb powders at room temperature, using a high-energy ball-milling technique. The mechanisms of metallic glass formation and competing crystallization processes in the mechanically deformed composite powders have been investigated by means of X-ray diffraction, Moessbauer spectroscopy, differential thermal analysis, scanning electron microscopy and transmission electron microscopy. The numerous intimate layered composite particles of the diffusion couples that formed during the first and intermediate stages of milling time (0-56 ks), are intermixed to form amorphous phase(s) upon heating to about 625 K by so-called thermally assisted solid state amorphization, TASSA. The amorphization heat of formation for binary system via the TASSA, ΔH a , was measured directly as a function of the milling time. Comparable with the TASSA, homogeneous amorphous alloys were fabricated directly without heating the composite multilayered particles upon milling these particles for longer milling time (86 ks-144 ks). The amorphization reaction here is attributed to the mechanical driven solid state amorphization. This single amorphous phase transforms into an order phase (μ phase) upon heating at 1088 K (crystallization temperature, T x ) with enthalpy change of crystallization, ΔH x , of -8.3 kJmol -1 . (orig.)

Amorphous nanophotonics

CERN Document Server

Scharf, Toralf

2013-01-01

This book represents the first comprehensive overview over amorphous nano-optical and nano-photonic systems. Nanophotonics is a burgeoning branch of optics that enables many applications by steering the mould of light on length scales smaller than the wavelength with devoted nanostructures. Amorphous nanophotonics exploits self-organization mechanisms based on bottom-up approaches to fabricate nanooptical systems. The resulting structures presented in the book are characterized by a deterministic unit cell with tailored geometries; but their spatial arrangement is not controlled. Instead of periodic, the structures appear either amorphous or random. The aim of this book is to discuss all aspects related to observable effects in amorphous nanophotonic material and aspects related to their design, fabrication, characterization and integration into applications. The book has an interdisciplinary nature with contributions from scientists in physics, chemistry and materials sciences and sheds light on the topic fr...

Deep subgap feature in amorphous indium gallium zinc oxide: Evidence against reduced indium

International Nuclear Information System (INIS)

Sallis, Shawn; Williams, Deborah S.; Quackenbush, Nicholas F.; Senger, Mikell; Woicik, Joseph C.; White, Bruce E.; Piper, Louis F.J.

2015-01-01

Amorphous indium gallium zinc oxide (a-IGZO) is the archetypal transparent amorphous oxide semiconductor. Despite the gains made with a-IGZO over amorphous silicon in the last decade, the presence of deep subgap states in a-IGZO active layers facilitate instabilities in thin film transistor properties under negative bias illumination stress. Several candidates could contribute to the formation of states within the band gap. Here, we present evidence against In + lone pair active electrons as the origin of the deep subgap features. No In + species are observed, only In 0 nano-crystallites under certain oxygen deficient growth conditions. Our results further support under coordinated oxygen as the source of the deep subgap states. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

The Influence of Pressure on the Intrinsic Dissolution Rate of Amorphous Indomethacin

Directory of Open Access Journals (Sweden)

Korbinian Löbmann

2014-08-01

Full Text Available New drug candidates increasingly tend to be poorly water soluble. One approach to increase their solubility is to convert the crystalline form of a drug into the amorphous form. Intrinsic dissolution testing is an efficient standard method to determine the intrinsic dissolution rate (IDR of a drug and to test the potential dissolution advantage of the amorphous form. However, neither the United States Pharmacopeia (USP nor the European Pharmacopeia (Ph.Eur state specific limitations for the compression pressure in order to obtain compacts for the IDR determination. In this study, the influence of different compression pressures on the IDR was determined from powder compacts of amorphous (ball-milling indomethacin (IND, a glass solution of IND and poly(vinylpyrrolidone (PVP and crystalline IND. Solid state properties were analyzed with X-ray powder diffraction (XRPD and the final compacts were visually observed to study the effects of compaction pressure on their surface properties. It was found that there is no significant correlation between IDR and compression pressure for crystalline IND and IND–PVP. This was in line with the observation of similar surface properties of the compacts. However, compression pressure had an impact on the IDR of pure amorphous IND compacts. Above a critical compression pressure, amorphous particles sintered to form a single compact with dissolution properties similar to quench-cooled disc and crystalline IND compacts. In such a case, the apparent dissolution advantage of the amorphous form might be underestimated. It is thus suggested that for a reasonable interpretation of the IDR, surface properties of the different analyzed samples should be investigated and for amorphous samples the IDR should be measured also as a function of the compression pressure used to prepare the solid sample for IDR testing.

The sorption induced glass transition in amorphous glassy polymers

NARCIS (Netherlands)

van der Vegt, N.F.A.; Wessling, Matthias; Strathmann, H.; Briels, Willem J.

1999-01-01

Sorption of CO2 in both the glassy and the rubbery state of an amorphous polyethylenelike polymer was investigated using molecular dynamics simulations. The temperature was chosen such that the system was in its glassy state at low solute concentrations and its rubbery state at large solute

Using containerless methods to develop amorphous pharmaceuticals.

Science.gov (United States)

Weber, J K R; Benmore, C J; Suthar, K J; Tamalonis, A J; Alderman, O L G; Sendelbach, S; Kondev, V; Yarger, J; Rey, C A; Byrn, S R

2017-01-01

Many pipeline drugs have low solubility in their crystalline state and require compounding in special dosage forms to increase bioavailability for oral administration. The use of amorphous formulations increases solubility and uptake of active pharmaceutical ingredients. These forms are rapidly gaining commercial importance for both pre-clinical and clinical use. Synthesis of amorphous drugs was performed using an acoustic levitation containerless processing method and spray drying. The structure of the products was investigated using in-situ high energy X-ray diffraction. Selected solvents for processing drugs were investigated using acoustic levitation. The stability of amorphous samples was measured using X-ray diffraction. Samples processed using both spray drying and containerless synthesis were compared. We review methods for making amorphous pharmaceuticals and present data on materials made by containerless processing and spray drying. It was shown that containerless processing using acoustic levitation can be used to make phase-pure forms of drugs that are known to be difficult to amorphize. The stability and structure of the materials was investigated in the context of developing and making clinically useful formulations. Amorphous compounds are emerging as an important component of drug development and for the oral delivery of drugs with low solubility. Containerless techniques can be used to efficiently synthesize small quantities of pure amorphous forms that are potentially useful in pre-clinical trials and for use in the optimization of clinical products. Developing new pharmaceutical products is an essential enterprise to improve patient outcomes. The development and application of amorphous pharmaceuticals to increase absorption is rapidly gaining importance and it provides opportunities for breakthrough research on new drugs. There is an urgent need to solve problems associated with making formulations that are both stable and that provide high

A Comparison of Photo-Induced Hysteresis Between Hydrogenated Amorphous Silicon and Amorphous IGZO Thin-Film Transistors.

Science.gov (United States)

Ha, Tae-Jun; Cho, Won-Ju; Chung, Hong-Bay; Koo, Sang-Mo

2015-09-01

We investigate photo-induced instability in thin-film transistors (TFTs) consisting of amorphous indium-gallium-zinc-oxide (a-IGZO) as active semiconducting layers by comparing with hydrogenated amorphous silicon (a-Si:H). An a-IGZO TFT exhibits a large hysteresis window in the illuminated measuring condition but no hysteresis window in the dark condition. On the contrary, a large hysteresis window measured in the dark condition in a-Si:H was not observed in the illuminated condition. Even though such materials possess the structure of amorphous phase, optical responses or photo instability in TFTs looks different from each other. Photo-induced hysteresis results from initially trapped charges at the interface between semiconductor and dielectric films or in the gate dielectric which possess absorption energy to interact with deep trap-states and affect the movement of Fermi energy level. In order to support our claim, we also perform CV characteristics in photo-induced hysteresis and demonstrate thermal-activated hysteresis. We believe that this work can provide important information to understand different material systems for optical engineering which includes charge transport and band transition.

Amino acids as co-amorphous excipients for simvastatin and glibenclamide

DEFF Research Database (Denmark)

Laitinen, Riikka; Löbmann, Korbinian; Grohganz, Holger

2014-01-01

to a few drugs and amino acids. To facilitate the rational selection of amino acids, the practical importance of the amino acid coming from the biological target site of the drug (and associated intermolecular interactions) needs to be established. In the present study, the formation of co......-amorphous systems using cryomilling and combinations of two poorly water-soluble drugs (simvastatin and glibenclamide) with the amino acids aspartic acid, lysine, serine, and threonine was investigated. Solid-state characterization with X-ray powder diffraction, differential scanning calorimetry, and Fourier...... in the mixtures. Interestingly, a favorable effect by the excipients on the tautomerism of amorphous glibenclamide in the co-amorphous blends was seen, as the formation of the thermodynamically less stable imidic acid tautomer of glibenclamide was suppressed compared to that of the pure amorphous drug...

Structural simplicity as a restraint on the structure of amorphous silicon

Science.gov (United States)

Cliffe, Matthew J.; Bartók, Albert P.; Kerber, Rachel N.; Grey, Clare P.; Csányi, Gábor; Goodwin, Andrew L.

2017-06-01

Understanding the structural origins of the properties of amorphous materials remains one of the most important challenges in structural science. In this study, we demonstrate that local "structural simplicity", embodied by the degree to which atomic environments within a material are similar to each other, is a powerful concept for rationalizing the structure of amorphous silicon (a -Si) a canonical amorphous material. We show, by restraining a reverse Monte Carlo refinement against pair distribution function (PDF) data to be simpler, that the simplest model consistent with the PDF is a continuous random network (CRN). A further effect of producing a simple model of a -Si is the generation of a (pseudo)gap in the electronic density of states, suggesting that structural homogeneity drives electronic homogeneity. That this method produces models of a -Si that approach the state-of-the-art without the need for chemically specific restraints (beyond the assumption of homogeneity) suggests that simplicity-based refinement approaches may allow experiment-driven structural modeling techniques to be developed for the wide variety of amorphous semiconductors with strong local order.

Amorphization-induced strong localization of electronic states in CsPbBr3 and CsPbCl3 studied by optical absorption measurements

Science.gov (United States)

Kondo, S.; Sakai, T.; Tanaka, H.; Saito, T.

1998-11-01

Optical absorption spectra of amorphous CsPbX3 films (X=Br,Cl) are characterized by two Gaussian bands near the fundamental edge, with the optical energy gap largely blueshifted and the absorption intensity strongly reduced as compared with the crystalline films. The peak energies of the bands are close to those of the A and C bands of Pb-doped alkali halides. The spectral features are discussed in terms of a molecular orbital theory based on a quasicomplex Pb2+(X-)6 model similar to the complex model for the doped alkali halides. It is shown that not only Pb2+ 6s and 6p extended states near the band edges but also X- p states contributing to upper valence bands are localized by amorphization. The transitions from the localized Pb2+ 6s to 6p states produce the spin-orbit allowed 3P1 and dipole allowed 1P1 states responsible for the two Gaussians. The localized X- p states lie deeper in energy than the localized Pb2+ 6s state and only contribute to higher-energy absorption above the Gaussian bands, giving the reason for the reduced absorption near the fundamental edge. The blueshift of the optical energy gap is attributed to the disappearance of k dispersions for these one-electron states.

Electronic Structures Localized at the Boron Atom in Amorphous Fe-B and Fe-B-P Alloys

Science.gov (United States)

Yasuda, Hidehiro; Nakayama, Hiroshi; Fujita, Hiroshi

1989-11-01

The electronic structures localized at the B in amorphous Fe-B and Fe-B-P alloys and their crystallized alloys were studied by Auger valence electron spectroscopy and the states of solute B are discussed based on the change in the degree of covalent bonding and the charge transfer between the Fe and B atoms. In amorphous phases, the charge transfers from Fe to B above 15at%B where B atoms occupy the substitutionallike situations, and from B to Fe below 15at%B where B atoms occupy the interstitiallike situations. Magnetic properties depend on such states of solute B. In crystalline phases, covalent bonding becomes dominant because the electron excitation occurs to the B2p state. Consequently, amorphous phases are more metallic in character than crystalline phases and amorphous structures are stabilized by a mixture of more than two different bonding states.

Deep subgap feature in amorphous indium gallium zinc oxide: Evidence against reduced indium

Energy Technology Data Exchange (ETDEWEB)

Sallis, Shawn; Williams, Deborah S. [Materials Science and Engineering, Binghamton University, Binghamton, New York, 13902 (United States); Quackenbush, Nicholas F.; Senger, Mikell [Department of Physics, Applied Physics and Astronomy, Binghamton University, Binghamton, New York, 13902 (United States); Woicik, Joseph C. [Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland, 20899 (United States); White, Bruce E.; Piper, Louis F.J. [Materials Science and Engineering, Binghamton University, Binghamton, New York, 13902 (United States); Department of Physics, Applied Physics and Astronomy, Binghamton University, Binghamton, New York, 13902 (United States)

2015-07-15

Amorphous indium gallium zinc oxide (a-IGZO) is the archetypal transparent amorphous oxide semiconductor. Despite the gains made with a-IGZO over amorphous silicon in the last decade, the presence of deep subgap states in a-IGZO active layers facilitate instabilities in thin film transistor properties under negative bias illumination stress. Several candidates could contribute to the formation of states within the band gap. Here, we present evidence against In{sup +} lone pair active electrons as the origin of the deep subgap features. No In{sup +} species are observed, only In{sup 0} nano-crystallites under certain oxygen deficient growth conditions. Our results further support under coordinated oxygen as the source of the deep subgap states. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Deformation-induced amorphization of crystalline particles in a Cu-Ti metallic glass

International Nuclear Information System (INIS)

Kamentzky, E.A.; Askenazy, P.D.; Johnson, W.L.; Tanner, L.E.

1987-01-01

Crystalline particles and grains embedded in Cu 35 Ti 65 glass ribbons have been amorphized by isothermal cold rolling. The structural evolution has been studied by X-ray diffraction and TEM techniques. Initial particle morphologies are spherulitic and spherical, the latter with sizes ranging between 10 and 100 nm. The new amorphous phase seems to nucleate at crystalline-amorphous matrix interfaces. Initially there is a well defined interface between the new and the existing amorphous phases but it disappears as rolling progresses. Crystallites on a nanoscale still present in the final stages of particle amorphization have been observed by convergent beam electron diffraction. After sufficient deformation the consolidated ribbon becomes a completely glassy. A morphological description of the transformation process in terms of crystal destabilization and solid- state particle melting is presented

Research Update: Direct conversion of amorphous carbon into diamond at ambient pressures and temperatures in air

International Nuclear Information System (INIS)

Narayan, Jagdish; Bhaumik, Anagh

2015-01-01

We report on fundamental discovery of conversion of amorphous carbon into diamond by irradiating amorphous carbon films with nanosecond lasers at room-temperature in air at atmospheric pressure. We can create diamond in the form of nanodiamond (size range <100 nm) and microdiamond (>100 nm). Nanosecond laser pulses are used to melt amorphous diamondlike carbon and create a highly undercooled state, from which various forms of diamond can be formed upon cooling. The quenching from the super undercooled state results in nucleation of nanodiamond. It is found that microdiamonds grow out of highly undercooled state of carbon, with nanodiamond acting as seed crystals

Colloidal Photoluminescent Amorphous Porous Silicon, Methods Of Making Colloidal Photoluminescent Amorphous Porous Silicon, And Methods Of Using Colloidal Photoluminescent Amorphous Porous Silicon

KAUST Repository

Chaieb, Sahraoui

2015-04-09

Embodiments of the present disclosure provide for a colloidal photoluminescent amorphous porous silicon particle suspension, methods of making a colloidal photoluminescent amorphous porous silicon particle suspension, methods of using a colloidal photoluminescent amorphous porous silicon particle suspension, and the like.

Colloidal Photoluminescent Amorphous Porous Silicon, Methods Of Making Colloidal Photoluminescent Amorphous Porous Silicon, And Methods Of Using Colloidal Photoluminescent Amorphous Porous Silicon

KAUST Repository

Chaieb, Saharoui; Mughal, Asad Jahangir

2015-01-01

Embodiments of the present disclosure provide for a colloidal photoluminescent amorphous porous silicon particle suspension, methods of making a colloidal photoluminescent amorphous porous silicon particle suspension, methods of using a colloidal photoluminescent amorphous porous silicon particle suspension, and the like.

Characterization of the hidden glass transition of amorphous cyclomaltoheptaose.

Science.gov (United States)

Tabary, Nicolas; Mahieu, Aurélien; Willart, Jean-François; Dudognon, Emeline; Danède, Florence; Descamps, Marc; Bacquet, Maryse; Martel, Bernard

2011-10-18

An amorphous solid of cyclomaltoheptaose (β-cyclodextrin, β-CD) was formed by milling its crystalline form using a high-energy planetary mill at room temperature. The glass transition of this amorphous solid was found to occur above the thermal degradation point of the material preventing its direct observation and thus its full characterization. The corresponding glass transition temperature (T(g)) and the ΔC(p) at T(g) have, however, been estimated by extrapolation of T(g) and ΔC(p) of closely related amorphous compounds. These compounds include methylated β-CD with different degrees of substitution and molecular alloys obtained by co-milling β-CD and methylated β-CD (DS 1.8) at different ratios. The physical characterization of the amorphous states have been performed by powder X-ray diffraction and differential scanning calorimetry, while the chemical integrity of β-CD upon milling was checked by NMR spectroscopy and mass spectrometry. Copyright © 2011 Elsevier Ltd. All rights reserved.

Thermodynamically controlled crystallization of glucose pentaacetates from amorphous phase

Energy Technology Data Exchange (ETDEWEB)

Wlodarczyk, P., E-mail: patrykw@imn.gliwice.pl; Hawelek, L.; Hudecki, A.; Kolano-Burian, A. [Institute of Non-Ferrous Metals, ul. Sowinskiego 5, 44-100 Gliwice (Poland); Wlodarczyk, A. [Department of Animal Histology and Embryology, University of Silesia, ul. Bankowa 9, 40-007 Katowice (Poland)

2016-08-15

The α and β glucose pentaacetates are known sugar derivatives, which can be potentially used as stabilizers of amorphous phase of active ingredients of drugs (API). In the present work, crystallization behavior of equimolar mixture of α and β form in comparison to both pure anomers is revealed. It was shown that despite the same molecular interactions and similar molecular dynamics, crystallization from amorphous phase is significantly suppressed in equimolar mixture. Time dependent X-ray diffraction studies confirmed higher stability of the quenched amorphous equimolar mixture. Its tendency to crystallization is about 10 times lower than for pure anomers. Calorimetric studies revealed that the α and β anomers don’t form solid solutions and have eutectic point for x{sub α} = 0.625. Suppressed crystallization tendency in the mixture is probably caused by the altered thermodynamics of the system. The factors such as difference of free energy between crystalline and amorphous state or altered configurational entropy are probably responsible for the inhibitory effect.

Amorphous Dielectric Thin Films with Extremely Low Mechanical Loss

Directory of Open Access Journals (Sweden)

Liu X.

2015-04-01

Full Text Available The ubiquitous low-energy excitations are one of the universal phenomena of amorphous solids. These excitations dominate the acoustic, dielectric, and thermal properties of structurally disordered solids. One exception has been a type of hydrogenated amorphous silicon (a-Si:H with 1 at.% H. Using low temperature elastic and thermal measurements of electron-beam evap-orated amorphous silicon (a-Si, we show that TLS can be eliminated in this system as the films become denser and more structurally ordered under certain deposition conditions. Our results demonstrate that TLS are not intrinsic to the glassy state but instead reside in low density regions of the amorphous network. This work obviates the role hydrogen was previously thought to play in removing TLS in a-Si:H and favors an ideal four-fold covalently bonded amorphous structure as the cause for the disappearance of TLS. Our result supports the notion that a-Si can be made a “perfect glass” with “crystal-like” properties, thus offering an encouraging opportunity to use it as a simple crystal dielectric alternative in applications, such as in modern quantum devices where TLS are the source of dissipation, decoherence and 1/f noise.

Crystallization of amorphous phase in niobium alloys with oxygen

International Nuclear Information System (INIS)

Dekanenko, V.M.; Samojlenko, Z.A.; Revyakin, A.V.

1982-01-01

Crystallization and subsequent phase transformations of amorphous phase during annealings in the system Nb-O are studied. It is shown that quenching from liquid state of niobium alloys with oxygen with a rate of 10 5 -10 6 K/s results in partial crystallization of the melt. Phase transition from amorphous to crystal state at 670 K in all probability takes place without the change of chemical composition. After crystallization the decomposition of oversaturated solid solution on the basis of NbO takes place with the separation of low- temperature modification, γ-Nb 2 O 5 . Niobium pentoxide of both modifications during prolong annealings at 770 K and short- time annealings higher 1070 K disappears completely [ru

Oxidation influence on crystallisation in iron-based amorphous alloys

Energy Technology Data Exchange (ETDEWEB)

Gloriant, T.; Surinach, S.; Munoz, J.S.; Baro, M.D. [Universitat Autonoma de Barcelona (Spain). Dept. de Fisica; Inoue, A. [Tohoku Univ., Sendai (Japan). Inst. for Materials Research

2001-07-01

The partially crystalline iron-based nanophase composites elaborated by rapid solidification techniques are very attractive for their excellent soft magnetic properties and their potential for industrial applications. In these nanocomposite materials a control of both the structure (size, shape and distribution of the nanoparticles in the amorphous matrix) and the kinetic behaviour (nucleation and growth mechanism) is essential in order to obtain the best properties and to be able to produce them at the industrial scale. Our group has been working in this research area for a long time and the investigation presented here is the result of an international collaboration. This study deals with the effect of cobalt addition in Fe-Nb-B melt-spun amorphous alloys on the devitrification/crystallisation processes induced by thermal treatments and characterised by X-ray diffraction analysis (XRD), thermomagnetic analysis (TMG) and transmission electron microscopy observations (TEM). The transformation sequences, from the initial amorphous phase to the fully crystallised final state, were carried out using different annealing experiments (under vacuum and in air) and have revealed a strong influence of the environmental atmosphere during devitrification. It is shown that oxidation can greatly affect the crystallisation behaviour as a result of the high metastable state of the initial amorphous phase. The results and observations of this phenomenon will be presented. (orig.)

Short, intermediate and long range order in amorphous ices

Science.gov (United States)

Martelli, Fausto; Torquato, Salvatore; Giovanbattista, Nicolas; Car, Roberto

Water exhibits polyamorphism, i.e., it exists in more than one amorphous state. The most common forms of glassy water are the low-density amorphous (LDA) and the high-density amorphous (HDA) ices. LDA, the most abundant form of ice in the Universe, transforms into HDA upon isothermal compression. We model the transformation of LDA into HDA under isothermal compression with classical molecular dynamics simulations. We analyze the molecular structures with a recently introduced scalar order metric to measure short and intermediate range order. In addition, we rank the structures by their degree of hyperuniformity, i.e.,the extent to which long range density fluctuations are suppressed. F.M. and R.C. acknowledge support from the Department of Energy (DOE) under Grant No. DE-SC0008626.

Reactive diffusion in amorphous Fe-B and Co-Zr multilayer films

International Nuclear Information System (INIS)

Stobiecki, F.

1989-01-01

The diffusion in Fe 1-x B x /Fe 1-y B y and Co 1-x Zr x /Co 1-y Zr y amorphous bi- and multilayers was investigated. The dependence of the diffusion coefficient on concentration was observed. This effect is explained taking into account the concentration dependence of mixing enthalpy correlated with chemical short range order in the amorphous state

Stability of (Fe-Tm-B) amorphous alloys: relaxation and crystallization phenomena

International Nuclear Information System (INIS)

Zemcik, T.

1994-01-01

Fe-Tm-B base (TM = transition metal) amorphous alloys (metallic glasses) are thermodynamically metastable. This limits their use as otherwise favourable materials, e.g. magnetically soft, corrosion resistant and mechanically firm. By analogy of the mechanical strain-stress dependence, at a certain degree of thermal activation the amorphous structure reaches its limiting state where it changes its character and physical properties. Relaxation and early crystallization processes in amorphous alloys, starting already around 100 C, are reviewed involving subsequently stress relief, free volume shrinking, topological and chemical ordering, pre-crystallization phenomena up to partial (primary) crystallization. Two diametrically different examples are demonstrated from among the soft magnetic materials: relaxation and early crystallization processes in the Fe-Co-B metallic glasses and controlled crystallization of amorphous ribbons yielding rather modern nanocrystalline ''Finemet'' alloys where late relaxation and pre-crystallization phenomena overlap when forming extremely dispersive and fine-grained nanocrystals-in-amorphous-sauce structure. Moessbauer spectroscopy seems to be unique for magnetic and phase analysis of such complicated systems. (orig.)

Preparation and characterization of spray-dried co-amorphous drug-amino acid salts

DEFF Research Database (Denmark)

Jensen, Katrine Birgitte Tarp; Blaabjerg, Lasse Ingerslev; Lenz, Elisabeth

2016-01-01

scale. In this study, spray-drying was investigated as a scale up preparation method for co-amorphous indomethacin (IND)-amino acid mixtures. In addition, the physico-chemical properties of the different co-amorphous systems were investigated with respect to the amino acids' ability towards co...... dissolution behaviour, and physical stability at various storage conditions, were examined. KEY FINDINGS: Results showed that IND could be converted into an amorphous form in combination with the amino acids arginine (ARG), histidine (HIS) and lysine (LYS) by spray-drying. Solid state characterization...... mixtures were physically stable (>10 months) at room temperature and 40°C under dry conditions. Intrinsic dissolution of the co-amorphous mixtures showed an improved dissolution behaviour under intestinal pH conditions for IND-ARG compared with the crystalline and amorphous forms of the drug. On the other...

Dissolution properties of co-amorphous drug-amino acid formulations in buffer and biorelevant media.

Science.gov (United States)

Heikkinen, A T; DeClerck, L; Löbmann, K; Grohganz, H; Rades, T; Laitinen, R

2015-07-01

Co-amorphous formulations, particularly binary drug-amino acid mixtures, have been shown to provide enhanced dissolution for poorly-soluble drugs and improved physical stability of the amorphous state. However, to date the dissolution properties (mainly intrinsic dissolution rate) of the co-amorphous formulations have been tested only in buffers and their supersaturation ability remain unexplored. Consequently, dissolution studies in simulated intestinal fluids need to be conducted in order to better evaluate the potential of these systems in increasing the oral bioavailability of biopharmaceutics classification system class II drugs. In this study, solubility and dissolution properties of the co-amorphous simvastatin-lysine, gibenclamide-serine, glibenclamide-threonine and glibenclamide-serine-threonine were studied in phosphate buffer pH 7.2 and biorelevant media (fasted and fed state simulated intestinal fluids (FaSSIF and FeSSIF, respectively)). The co-amorphous formulations were found to provide a long-lasting supersaturation and improve the dissolution of the drugs compared to the crystalline and amorphous drugs alone in buffer. Similar improvement, but in lesser extent, was observed in biorelevant media suggesting that a dissolution advantage observed in aqueous buffers may overestimate the advantage in vivo. However, the results show that, in addition to stability advantage shown earlier, co-amorphous drug-amino acid formulations provide dissolution advantage over crystalline drugs in both aqueous and biorelevant conditions.

Effect of particle size of drug on conversion of crystals to an amorphous state in a solid dispersion with crospovidone.

Science.gov (United States)

Sugamura, Yuka; Fujii, Makiko; Nakanishi, Sayaka; Suzuki, Ayako; Shibata, Yusuke; Koizumi, Naoya; Watanabe, Yoshiteru

2011-01-01

The effect of particle size on amorphization of drugs in a solid dispersion (SD) was investigated for two drugs, indomethacin (IM) and nifedipine (NP). The SD of drugs were prepared in a mixture with crospovidone by a variety of mechanical methods, and their properties investigated by particle sizing, thermal analysis, and powder X-ray diffraction. IM, which had an initial particle size of 1 µm and tends to aggregate, was forced through a sieve to break up the particles. NP, which had a large initial particle size, was jet-milled. In both cases, reduction of the particle size of the drugs enabled transition to an amorphous state below the melting point of the drug. The reduction in particle size is considered to enable increased contact between the crospovidone and drug particles, increasing interactions between the two compounds. © 2011 Pharmaceutical Society of Japan

Ion implantation and amorphous metals

International Nuclear Information System (INIS)

Hohmuth, K.; Rauschenbach, B.

1981-01-01

This review deals with ion implantation of metals in the high concentration range for preparing amorphous layers (>= 10 at%, implantation doses > 10 16 ions/cm 2 ). Different models are described concerning formation of amorphous phases of metals by ion implantation and experimental results are given. The study of amorphous phases has been carried out by the aid of Rutherford backscattering combined with the channeling technique and using transmission electron microscopy. The structure of amorphous metals prepared by ion implantation has been discussed. It was concluded that amorphous metal-metalloid compounds can be described by a dense-random-packing structure with a great portion of metal atoms. Ion implantation has been compared with other techniques for preparing amorphous metals and the adventages have been outlined

Effect of ball mill treatment on kinetics of amorphous Ni78Si10B12 alloy crystallization

International Nuclear Information System (INIS)

Tomilin, I.A.; Mochalova, T.Yu.; Kaloshkin, S.D.; Kostyukovich, T.G.; Lopatina, E.A.

1993-01-01

The effect of the parameters of Ni 78 Si 10 B 12 alloy amorphous strip milling in a ball planetary mill on the stability of powder amorphous state, crytallization kinetics and dispersity is studied by the methods of differential scanning microcaloremetry and X-ray diffraction analysis. Energy intensity of milling conditions is assessed. An increase of input energy results in a decrease of activation energy of powder crystallization. Strip milling parameters which enable to avaintain the amorphous state of the material are determined

Corrosion resistance of amorphous NiCrZr and NiCrMoZr alloys

International Nuclear Information System (INIS)

Naka, M.; Miyake, M.; Okamoto, I.

1987-01-01

One of the authors has reported that the corrosion resistance of chromium containing amorphous alloys is extremely improved by alloying phosphorus among metalloids. Two factors operate for the improvement of corrosion resistance of the amorphous alloys. First, phosphorus serves for the rapid formation of protective passive film. Second, the compositional and structural homogeneity in amorphous state also account for the formation of protective film. The latter factor has been clearly seen in the high corrosion resistance of CoCrMoZr and CoCrWZr alloys without metalloids. In order to clarify the separately two factors in the corrosion resistance of amorphous alloys, the corrosion resistance of amorphous alloys without metalloids has to be further investigated. This paper also deals with the corrosion resistance and electrochemical behavior of NiCrZr and NiCrMoZr alloys in 1N HCl, and compare them with the corrosion behavior of the crystalline alloys containing the same composition as that of the amorphous alloys

Oxygen flow effects on electrical properties, stability, and density of states of amorphous In-Ga-Zn-O thin-film transistors

Science.gov (United States)

Lee, Yong-Su; Kai-Hsiang Yu, Eric; Shim, Dong-Hwan; Kong, Hyang-Shik; Bie, Linsen; Kanicki, Jerzy

2014-12-01

To investigate the origin of threshold voltage (Vth) shift of amorphous In-Ga-Zn-O (a-IGZO) thin-film transistors (TFTs), a combination of bias-temperature stress (BTS) and multi-frequency capacitance-voltage (C-V) measurements were used to evaluate the impact of oxygen partial pressure (PO2) during a-IGZO deposition on TFT electrical properties, electrical stability, and density of states (DOS). The extracted sub-gap DOS was decomposed into exponential bandtail states and Gaussian-like deep-gap states. The peak density of Gaussian-like states is larger for higher PO2. We conclude that the Gaussian-like states are excess/weakly-bonded oxygen in the form of O0 or O1- ions acting as acceptor-like states and are at the origin of TFT threshold voltage shift during positive BTS.

Electric and magnetic properties of Al{sub 86}Ni{sub 8}R{sub 6} (R=Sm, Gd, Ho) alloys in liquid and amorphous states

Energy Technology Data Exchange (ETDEWEB)

Sidorov, V. [Ural State Pedagogical University, Ekaterinburg (Russian Federation); Ural Federal University, Ekaterinburg (Russian Federation); Svec, P.; Svec, P.; Janickovic, D. [Institute of Physics SAS, Bratislava (Slovakia); Mikhailov, V. [Ural State Pedagogical University, Ekaterinburg (Russian Federation); Sidorova, E. [Plekhanov Russian University of Economics, Moscow (Russian Federation); Son, L. [Ural State Pedagogical University, Ekaterinburg (Russian Federation); Ural Federal University, Ekaterinburg (Russian Federation)

2016-06-15

Electrical resistivity and magnetic susceptibility of Al{sub 86}Ni{sub 8}Sm{sub 6}, Al{sub 86}Ni{sub 8}Gd{sub 6} and Al{sub 86}Ni{sub 8}Ho{sub 6} alloys are studied in a wide temperature range including amorphous, crystalline and liquid states. The negative value of resistivity temperature coefficient in amorphous ribbons is explained by the structural separation starting much before the beginning of their crystallization. The effective magnetic moments per Gd and Ho atoms are found to be essentially lower than for R{sup 3+} ions. The results are discussed in supposition of directed bonds between rare earth and aluminum atoms. - Highlights: • Electric and magnetic properties of Al{sub 86}Ni{sub 8}R{sub 6} alloys are studied experimentally. • The negative value of rtc in amorphous ribbons is explained. • The effective magnetic moments per Gd and Ho are found to be lower than for R{sup 3+} ions.

Particle-induced amorphization of complex ceramics. Final report

International Nuclear Information System (INIS)

Ewing, R.C.; Wang, L.M.

1998-01-01

The crystalline-to-amorphous (c-a) phase transition is of fundamental importance. Particle irradiations provide an important, highly controlled means of investigating this phase transformation and the structure of the amorphous state. The interaction of heavy-particles with ceramics is complex because these materials have a wide range of structure types, complex compositions, and because chemical bonding is variable. Radiation damage and annealing can produce diverse results, but most commonly, single crystals become aperiodic or break down into a polycrystalline aggregate. The authors continued the studies of the transition from the periodic-to-aperiodic state in natural materials that have been damaged by α-recoil nuclei in the uranium and thorium decay series and in synthetic, analogous structures. The transition from the periodic to aperiodic state was followed by detailed x-ray diffraction analysis, in-situ irradiation/transmission electron microscopy, high resolution transmission electron microscopy, extended x-ray absorption fine structure spectroscopy/x-ray absorption near edge spectroscopy and other spectroscopic techniques. These studies were completed in conjunction with bulk irradiations that can be completed at Los Alamos National Laboratory or Sandia National Laboratories. Principal questions addressed in this research program included: (1) What is the process at the atomic level by which a ceramic material is transformed into a disordered or aperiodic state? (2) What are the controlling effects of structural topology, bond-type, dose rate, and irradiation temperature on the final state of the irradiated material? (3) What is the structure of the damaged material? (4) What are the mechanisms and kinetics for the annealing of interstitial and aggregate defects in these irradiated ceramic materials? (5) What general criteria may be applied to the prediction of amorphization in complex ceramics?

Effect of crystallization on corrosion behavior of Fe40Ni38B18Mo4 amorphous alloy in 3.5% sodium chloride solution

DEFF Research Database (Denmark)

Wu, Y.F.; Chiang, Wen-Chi; Wu, J.K.

2008-01-01

After the crystallization of F40Ni38B18Mo4 amorphous alloy by vacuum annealing, the corrosion resistance of its crystalline state shows inferior to its amorphous state due to the local cell action between Ni phase and (Fe, Ni, Mo)(23)B-6 phase in matrix.......After the crystallization of F40Ni38B18Mo4 amorphous alloy by vacuum annealing, the corrosion resistance of its crystalline state shows inferior to its amorphous state due to the local cell action between Ni phase and (Fe, Ni, Mo)(23)B-6 phase in matrix....

Chemical states and optical properties of thermally evaporated Ge-Te and Ge-Sb-Te amorphous thin films

Energy Technology Data Exchange (ETDEWEB)

Kumar, S.; Singh, D.; Shandhu, S. [Semiconductor Laboratory, Department of Physics, Guru Nanak Dev University Amritsar (India); Thangaraj, R., E-mail: rthangaraj@rediffmail.com [Semiconductor Laboratory, Department of Physics, Guru Nanak Dev University Amritsar (India)

2012-07-15

Thin amorphous films of Ge{sub 22}Sb{sub 22}Te{sub 56} and Ge{sub 50}Te{sub 50} have been prepared from their respective polycrystalline bulk on glass substrates by thermal evaporation technique. The amorphous nature of the films was checked with X-ray diffraction studies. Amorphous-to-crystalline transition of the films has been induced by thermal annealing and the structural phases have been identified by X-ray diffraction. The phase transformation temperature of the films was evaluated by temperature dependent sheet resistance measurement. The chemical structure of the amorphous films has been investigated using X-ray photoelectron spectroscopy and the role of Sb in phase change Ge{sub 22}Sb{sub 22}Te{sub 56} film is discussed. Survey and core level (Ge 3d, Te 3d, Te 4d, Sb 3p, Sb 3d, O 1s, C 1s) band spectra has been recorded and analyzed. For optical studies, the transmittance and the reflectance spectra were measured over the wavelength ranges 400-2500 nm using UV-vis-NIR spectroscopy. The optical band gap, refractive index and extinction coefficient are also presented for thermally evaporated amorphous thin films.

Deep-level transient spectroscopy on an amorphous InGaZnO4 Schottky diode

NARCIS (Netherlands)

Chasin, A.; Simoen, E.; Bhoolokam, A.; Nag, M.; Genoe, J.; Gielen, G.; Heremans, P.

2014-01-01

The first direct measurement is reported of the bulk density of deep states in amorphous IGZO (indium-gallium-zinc oxide) semiconductor by means of deep-level transient spectroscopy (DLTS). The device under test is a Schottky diode of amorphous IGZO semiconductor on a palladium (Pd) Schottky-barrier

Corrosion resistant amorphous metals and methods of forming corrosion resistant amorphous metals

Science.gov (United States)

Farmer, Joseph C [Tracy, CA; Wong, Frank M. G. [Livermore, CA; Haslam, Jeffery J [Livermore, CA; Yang, Nancy [Lafayette, CA; Lavernia, Enrique J [Davis, CA; Blue, Craig A [Knoxville, TN; Graeve, Olivia A [Reno, NV; Bayles, Robert [Annandale, VA; Perepezko, John H [Madison, WI; Kaufman, Larry [Brookline, MA; Schoenung, Julie [Davis, CA; Ajdelsztajn, Leo [Walnut Creek, CA

2009-11-17

A system for coating a surface comprises providing a source of amorphous metal, providing ceramic particles, and applying the amorphous metal and the ceramic particles to the surface by a spray. The coating comprises a composite material made of amorphous metal that contains one or more of the following elements in the specified range of composition: yttrium (.gtoreq.1 atomic %), chromium (14 to 18 atomic %), molybdenum (.gtoreq.7 atomic %), tungsten (.gtoreq.1 atomic %), boron (.ltoreq.5 atomic %), or carbon (.gtoreq.4 atomic %).

Positrons in amorphous alloys

International Nuclear Information System (INIS)

Moser, Pierre.

1981-07-01

Positron annihilation techniques give interesting informations about ''empty spaces'' in amorphous alloys. The results of an extensive research work on the properties of either pre-existing or irradiation induced ''empty spaces'' in four amorphous alloys are presented. The pre-existing empty spaces appear to be small vacancy-like defects. The irradiation induced defects are ''close pairs'' with widely distributed configurations. There is a strong interaction between vacancy like and interstitial like components. A model is proposed, which explains the radiation resistance mechanism of the amorphous alloys. An extensive joint research work to study four amorphous alloys, Fe 80 B 20 ,Fe 40 Ni 40 P 14 B 6 , Cu 50 Ti 50 , Pd 80 Si 20 , is summarized

Facile synthesis of amorphous FeOOH/MnO2 composites as screen-printed electrode materials for all-printed solid-state flexible supercapacitors

Science.gov (United States)

Lu, Qiang; Liu, Li; Yang, Shuanglei; Liu, Jun; Tian, Qingyong; Yao, Weijing; Xue, Qingwen; Li, Mengxiao; Wu, Wei

2017-09-01

More convenience and intelligence life lead by flexible/wearable electronics requires innovation and hommization of power sources. Here, amorphous FeOOH/MnO2 composite as screen-printed electrode materials for supercapacitors (SCs) is synthesized by a facile method, and solid-state flexible SCs with aesthetic design are fabricated by fully screen-printed process on different substrates, including PET, paper and textile. The amorphous FeOOH/MnO2 composite shows a high specific capacitance and a good rate capability (350.2 F g-1 at a current density of 0.5 A g-1 and 159.5 F g-1 at 20 A g-1). It also possesses 95.6% capacitance retention even after 10 000 cycles. Moreover, the all-printed solid-state flexible SC device exhibits a high area specific capacitance of 5.7 mF cm-2 and 80% capacitance retention even after 2000 cycles. It also shows high mechanical flexibility. Simultaneously, these printed SCs on different substrates in series are capable to light up a 1.9 V yellow light emitting diode (LED), even after bending and stretching.

Control of single-electron charging of metallic nanoparticles onto amorphous silicon surface.

Science.gov (United States)

Weis, Martin; Gmucová, Katarína; Nádazdy, Vojtech; Capek, Ignác; Satka, Alexander; Kopáni, Martin; Cirák, Július; Majková, Eva

2008-11-01

Sequential single-electron charging of iron oxide nanoparticles encapsulated in oleic acid/oleyl amine envelope and deposited by the Langmuir-Blodgett technique onto Pt electrode covered with undoped hydrogenated amorphous silicon film is reported. Single-electron charging (so-called quantized double-layer charging) of nanoparticles is detected by cyclic voltammetry as current peaks and the charging effect can be switched on/off by the electric field in the surface region induced by the excess of negative/positive charged defect states in the amorphous silicon layer. The particular charge states in amorphous silicon are created by the simultaneous application of a suitable bias voltage and illumination before the measurement. The influence of charged states on the electric field in the surface region is evaluated by the finite element method. The single-electron charging is analyzed by the standard quantized double layer model as well as two weak-link junctions model. Both approaches are in accordance with experiment and confirm single-electron charging by tunnelling process at room temperature. This experiment illustrates the possibility of the creation of a voltage-controlled capacitor for nanotechnology.

Electrical and Magnetic Properties of Binary Amorphous Transition Metal Alloys.

Science.gov (United States)

Liou, Sy-Hwang

The electrical, superconductive and magnetic properties of several binary transition metal amorphous and metastable crystalline alloys, Fe(,x)Ti(,100-x) (30 (LESSTHEQ) x (LESSTHEQ) 100), Fe(,x)Zr(,100-x) (20 (LESSTHEQ) x (LESSTHEQ) 93), Fe(,x)Hf(,100-x) (20 (LESSTHEQ) x (LESSTHEQ) 100), Fe(,x)Nb(,100 -x) (22 (LESSTHEQ) x (LESSTHEQ) 85), Ni(,x)Nb(,100-x) (20 (LESSTHEQ) x (LESSTHEQ) 80), Cu(,x)Nb(,100-x) (10 (LESSTHEQ) x (LESSTHEQ) 90) were studied over a wide composition range. Films were made using a magnetron sputtering system, and the structure of the films was investigated by energy dispersive x-ray diffraction. The composition region of each amorphous alloys system was determined and found in good agreement with a model proposed by Egami and Waseda. The magnetic properties and hyperfine interactions in the films were investigated using a conventional Mossbauer spectrometer and a ('57)Co in Rh matrix source. In all Fe-early transition metal binary alloys systems, Fe does not retain its moment in the low iron concentration region and the result is that the critical concentration for magnetic order (x(,c)) is much larger than anticipated from percolation considerations. A direct comparison between crystalline alloys and their amorphous counterparts of the same composition illustrate no clear correlation between crystalline and amorphous states. Pronounced discontinuities in the magnetic properties with variation in Fe content of all Fe-early transition metal alloys at phase boundaries separating amorphous and crystalline states have been observed. This is caused by the differences in the atomic arrangement and the electronic structure between crystalline and amorphous solids. The temperature dependence of resistivity, (rho)(T), of several binary amorphous alloys of Fe-TM (where TM = Ti, Zr, Hf, Nb etc.) has been studied from 2K to 300K. The Fe-poor (x x(,c)) samples have distinctive differences in (rho)(T) at low temperature (below 30K). All the magnetic samples

Kinetics of the high- to low-density amorphous water transition

International Nuclear Information System (INIS)

Koza, M M; Schober, H; Fischer, H E; Hansen, T; Fujara, F

2003-01-01

In situ neutron diffraction experiments have been carried out to study the kinetics of the transformation of high-density amorphous (HDA) water into its low-density amorphous state at temperatures 87 K ≤ T ≤ 110 K. It is found that three different stages are comprised in this transformation, namely an annealing process of the high-density matrix followed by a first-order-like transition into a low-density state, which can be further annealed at higher temperatures T ≤ 127 K. The annealing kinetics of the HDA state follows the logarithm of time as found in other systems showing polyamorphism. According to the theory of transformation by nucleation and growth the apparent first-order transition follows an Avrami-Kolmogorov behaviour. An energy barrier ΔE ∼ 33 k Jmol -1 is estimated from the temperature dependence of this transition

Amorphous graphene: a realization of Zachariasen’s glass

International Nuclear Information System (INIS)

Kumar, Avishek; Thorpe, M F; Wilson, Mark

2012-01-01

Amorphous graphene is a realization of a two-dimensional Zachariasen glass as first proposed 80 years ago. Planar continuous random networks of this archetypal two-dimensional network are generated by two complementary simulation methods. In the first, a Monte Carlo bond switching algorithm is employed to systematically amorphize a crystalline graphene sheet. In the second, molecular dynamics simulations are utilized to quench from the high temperature liquid state. The two approaches lead to similar results as detailed here, through the pair distribution function and the associated diffraction pattern. Details of the structure, including ring statistics and angular distortions, are shown to be sensitive to preparation conditions, and await experimental confirmation.

Crystallization characteristics of amorphous alloys of FeZr

International Nuclear Information System (INIS)

Rozhan, M. Idrus; Grundy, P.J.

1993-01-01

The crystallization characteristics of sputter-deposited amorphous alloys of Fe 100-x Zr x prepared at zirconium concentrations between 9 and 89 at.% was investigated. The transformation of the alloys from the amorphous to the crystalline state has been examined by thermal analysis, electrical resistance and X-ray diffraction. The crystallization temperatures were determined by differential scanning calorimetry (DSC) and electrical resistance as a function of temperature. The final phases were determined by X-ray diffraction. The activation energies were calculated from the Kissinger plots and the heats of crystallization were calculated and correlations between the thermal analysis and the resistance results are presented

Amorphization of Laves-Phase Precipitates in Zircaloy-4 by Neutron Irradiation

Energy Technology Data Exchange (ETDEWEB)

Peters, H.R.; Taylor, D.F.; Yang, Walter J.S.

1999-04-23

Examination of corrosion coupons by transmission electron microscopy after their exposure in the Idaho Advanced Test Reactor (ATR) has broadened the Zircaloy-4 precipitate-amorphization database and validated a new kinetic model for previously unavailable values of temperature and fast-neutron flux. The model describes the amorphization of Zr(Fe,Cr){sub 2} intermetallic precipitates in zirconium alloys as a dynamic competition between radiation damage and thermal annealing that leaves some iron atoms available for flux-assisted diffusion to the zirconium matrix. It predicts the width of the amorphous zone as a function of neutron flux (E>1 MeV), temperature, and time. In its simplest form, the model treats the crystalline/amorphous and precipitate/matrix interfaces as parallel planes, and its accuracy decreases for small precipitates and high fluence as the amorphous-zone width approaches precipitate dimensions. The simplest form of the model also considers diffusion to be rate-determining. This is an accurate approximation for steady-state conditions or slow changes in flux and temperature, but inappropriate for the analysis of faster transients. The paper addresses several difficulties inherent in measuring amorphous-zone width, and utilizes the expanded database to evaluate the improvements in predictive accuracy available through both conversion of the model to spherical coordinates and extension of its time dependency.

Influence of isotopic disorder on solid state amorphization and polyamorphism in solid H2O -D2O solutions

Science.gov (United States)

Gromnitskaya, E. L.; Danilov, I. V.; Lyapin, A. G.; Brazhkin, V. V.

2015-10-01

We present a low-temperature and high-pressure ultrasonic study of elastic properties of isotopic H2O-D2O solid solutions, comparing their properties with those of the isotopically pure H2O and D2O ices. Measurements were carried out for solid state amorphization (SSA) from 1h to high-density amorphous (HDA) ice upon compression up to 1.8 GPa at 77 K and for the temperature-induced (77 -190 K ) u-HDA (unrelaxed HDA) → e-HDA (expanded HDA) → low-density amorphous (LDA )→1 c cascade of ice transformations near room pressure. There are many similarities in the elasticity behaviour of H2O ,D2O , and H2O-D2O solid solutions, including the softening of the shear elastic modulus as a precursor of SSA and the HDA →LDA transition. We have found significant isotopic effects during H/D substitution, including elastic softening of H2O -D2O solid solutions with respect to the isotopically pure ices in the case of the bulk moduli of ices 1c and 1h and for both bulk and shear elastic moduli of HDA ice at high pressures (>1 GPa ) . This softening is related to the configurational isotopic disorder in the solid solutions. At low pressures, the isotope concentration dependence of the elastic moduli of u-HDA ice changes remarkably and becomes monotonic with pronounced change of the bulk modulus (≈20 %) .

Tunneling measurements in amorphous layers of superconducting transition metals: molybdenum, vanadium, and niobium

International Nuclear Information System (INIS)

Roll, U.

1981-01-01

Tunneling experiments with amorphous Molybdenum and Vanadium layers are presented, showing no significant increase of the reduced energy gap 2δ(O)/kTsub(c)(δ) compared with the BCS-value, in contrast to all previous measurement on amorphous superconducting materials of simple s-p-metals, showing on enhanced electron-phonon-interaction. This fact may lead to the conclusion that the strong electron-phonon coupling is caused by the amorphous structure of the superconductor. The present results, however, indicate that the strong electron-phonon interaction cannot be explained only ba the amorphous structure of the superconductor. In the measurements of the second derivative d 2 U/dI 2 no phonon-induced structures have been observed for amorphous molybdenum, vanadium and niobium films. Apparently the phonon density of states F(#betta#) of amorphous transition metals has no structure, thus the longitudinal and transverse phonons cannot be identified in the measured (d 2 U/dI 2 )-curves. This particular behaviour of the amorphous transition metals in contrast to the simple s-p-metals may be interpreted by the strongly localized d-electrons. (orig./GG) [de

Better understanding of dissolution behaviour of amorphous drugs by in situ solid-state analysis using Raman spectroscopy

DEFF Research Database (Denmark)

Savolainen, M; Kogermann, K; Heinz, A

2009-01-01

of two amorphous drugs, indomethacin (IMC) and carbamazepine (CBZ). The dissolution rate was higher from amorphous IMC compared to the crystalline alpha- and gamma-forms. However, the dissolution rate started to slow down during the experiment. In situ Raman analysis verified that at that time point...

Microscopic origin of resistance drift in the amorphous state of the phase-change compound GeTe

Science.gov (United States)

Gabardi, S.; Caravati, S.; Sosso, G. C.; Behler, J.; Bernasconi, M.

2015-08-01

Aging is a common feature of the glassy state. In the case of phase-change chalcogenide alloys the aging of the amorphous state is responsible for an increase of the electrical resistance with time. This phenomenon called drift is detrimental in the application of these materials in phase-change nonvolatile memories, which are emerging as promising candidates for storage class memories. By means of combined molecular dynamics and electronic structure calculations based on density functional theory, we have unraveled the atomistic origin of the resistance drift in the prototypical phase-change compound GeTe. The drift results from a widening of the band gap and a reduction of Urbach tails due to structural relaxations leading to the removal of chains of Ge-Ge homopolar bonds. The same structural features are actually responsible for the high mobility above the glass transition which boosts the crystallization speed exploited in the device.

Fast diffusion and nucleation of the amorphous phase in Ni--Zr films

International Nuclear Information System (INIS)

Ehrhart, P.; Averback, R.S.; Hahn, H.; Yadavalli, S.; Flynn, C.P.

1988-01-01

The nucleation of the amorphous phase by solid-state reactions has been investigated on single-crystal Zr films grown by molecular beam epitaxy and covered in situ with either polycrystalline Ni, amorphous (a-) NiZr, or single-crystalline Zr 99 N 01 films. Interfacial reactions were investigated by backscattering analysis or secondary ion mass spectroscopy. The amorphizing reaction occurred only in the specimen with the a-NiZr overlayer, although fast Ni diffusion through the single-crystalline Zr layer was observed in all three specimens. The nucleation behavior of a-NiZr is attributed to the combination of high-Ni and low-Zr mobility in crystalline Zr

Structural amorphous steels

International Nuclear Information System (INIS)

Lu, Z.P.; Liu, C.T.; Porter, W.D.; Thompson, J.R.

2004-01-01

Recent advancement in bulk metallic glasses, whose properties are usually superior to their crystalline counterparts, has stimulated great interest in fabricating bulk amorphous steels. While a great deal of effort has been devoted to this field, the fabrication of structural amorphous steels with large cross sections has remained an alchemist's dream because of the limited glass-forming ability (GFA) of these materials. Here we report the discovery of structural amorphous steels that can be cast into glasses with large cross-section sizes using conventional drop-casting methods. These new steels showed interesting physical, magnetic, and mechanical properties, along with high thermal stability. The underlying mechanisms for the superior GFA of these materials are discussed

Low-energy excitations in amorphous films of silicon and germanium

International Nuclear Information System (INIS)

Liu, X.; Pohl, R.O.

1998-01-01

We present measurements of internal friction and shear modulus of amorphous Si (a-Si) and amorphous Ge (a-Ge) films on double-paddle oscillators at 5500 Hz from 0.5 K up to room temperature. The temperature- independent plateau in internal friction below 10 K, which is common to all amorphous solids, also exists in these films. However, its magnitude is smaller than found for all other amorphous solids studied to date. Furthermore, it depends critically on the deposition methods. For a-Si films, it decreases in the sequence of electron-beam evaporation, sputtering, self-ion implantation, and hot-wire chemical-vapor deposition (HWCVD). Annealing can also reduce the internal friction of the amorphous films considerably. Hydrogenated a-Si with 1 at.% H prepared by HWCVD leads to an internal friction more than two orders of magnitude smaller than observed for all other amorphous solids. The internal friction increases after the hydrogen is removed by effusion. Our results are compared with earlier measurements on a-Si and a-Ge films, none of which had the sensitivity achieved here. The variability of the low-energy tunneling states in the a-Si and a-Ge films may be a consequence of the tetrahedrally bonded covalent continuous random network. The perfection of this network, however, depends critically on the preparation conditions, with hydrogen incorporation playing a particularly important role. copyright 1998 The American Physical Society

Vibrational dynamics of amorphous metals by inelastic neutron and raman scattering

International Nuclear Information System (INIS)

Lustig, N.E.

1986-01-01

Time-of-flight inelastic neutron scattering and Raman measurements were performed on amorphous (a-) metals. The neutron-weighted vibrational density of states, G(E), obtained for a-Fe 78 P 22 , a-Ni 82 B 18 and a-Ni 67 B 33 transition metal metalloid alloys (TM-m), indicated two major vibrational bands: a low frequency acoustic-like band and a high frequency optic-like band, derived from TM-TM and TM-m interactions, respectively. Similar neutron measurements were performed on the corresponding polycrystalline (c-) alloys, c-Fe 3 P and c-Ni 2 B. A comparison of the amorphous and crystalline densities of states indicates the elimination of sharp features and the addition of vibrational states at low and high frequencies upon amorphization. The experimental G(E) results for a-Fe 78 P 22 are in good agreement with the theoretically predicted spectrum. A comparison between the a-Ni 67 B 33 and the phenomenologically broadened c-Ni 2 B spectrum indicates a change in the short-range order. This finding is consistent with structural measurements on this alloy. Raman measurements were carried out using interference enhanced Raman spectroscopy (IERS) on thin film Ni-B alloys. The measured spectra provide information about the weighted phonon density of states, and is in good agreement with the neutron results

A unified description of crystalline-to-amorphous transitions

Energy Technology Data Exchange (ETDEWEB)

Lam, N.Q.; Okamoto, P.R. [Argonne National Lab., IL (United States); Devanathan, R. [Argonne National Lab., IL (United States)]|[Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering; Meshii, M. [Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering

1993-07-01

Amorphous metallic alloys can now be synthesized by a variety of solid-state processes demonstrating the need for a more general approach to crystalline-to-amorphous (c-a) transitions. By focusing on static atomic displacements as a measure of chemical and topological disorder, we show that a unified description of c-a transformations can be based on a generalization of the phenomenological melting criterion proposed by Lindemann. The generalized version assumes that melting of a defective crystal occurs whenever the sum of thermal and static mean-square displacements exceeds a critical value identical to that for melting of the defect-free crystal. This implies that chemical or topological disorder measured by static displacements is thermodynamically equivalent to heating, and therefore that the melting temperature of the defective crystal will decrease with increasing amount of disorder. This in turn implies the existence of a critical state of disorder where the melting temperature becomes equal to a glass-transition temperature below which the metastable crystal melts to a glass. The generalized Lindemann melting criterion leads naturally to an interpretation of c-a transformations as defect-induced, low-temperature melting of critically disordered crystals. Confirmation of this criterion is provided by molecular-dynamics simulations of heat-induced melting and of defect-induced amorphization of intermetallic compounds caused either by the production of Frenkel pairs or anti-site defects. The thermodynamic equivalence between static atomic disorder and heating is reflected in the identical softening effects which they have on elastic properties and also in the diffraction analysis of diffuse scattering from disordered crystals, where the effect of static displacements appears as an artificially-enlarged thermal Debye-Waller factor. Predictions of this new, unified approach to melting and amorphization are compared with available experimental information.

Enriched Boron-Doped Amorphous Selenium Based Position-Sensitive Solid-State Thermal Neutron Detector for MPACT Applications

International Nuclear Information System (INIS)

Mandal, Krishna

2017-01-01

High-efficiency thermal neutron detectors with compact size, low power-rating and high spatial, temporal and energy resolution are essential to execute non-proliferation and safeguard protocols. The demands of such detector are not fully covered by the current detection system such as gas proportional counters or scintillator-photomultiplier tube combinations, which are limited by their detection efficiency, stability of response, speed of operation, and physical size. Furthermore, world-wide shortage of 3 He gas, required for widely used gas detection method, has further prompted to design an alternative system. Therefore, a solid-state neutron detection system without the requirement of 3 He will be very desirable. To address the above technology gap, we had proposed to develop new room temperature solidstate thermal neutron detectors based on enriched boron ( 10 B) and enriched lithium ( 6 Li) doped amorphous Se (As- 0.52%, Cl 5 ppm) semiconductor for MPACT applications. The proposed alloy materials have been identified for its many favorable characteristics - a wide bandgap (~2.2 eV at 300 K) for room temperature operation, high glass transition temperature (t g ~ 85°C), a high thermal neutron cross-section (for boron ~ 3840 barns, for lithium ~ 940 barns, 1 barn = 10 -24 cm 2 ), low effective atomic number of Se for small gamma ray sensitivity, and high radiation tolerance due to its amorphous structure.

Correlating thermodynamic and kinetic parameters with amorphous stability

DEFF Research Database (Denmark)

Graeser, Kirsten A; Patterson, James E; Zeitler, J Axel

2009-01-01

Poor physical stability is one of the single most important factors limiting the widespread use of the amorphous state in pharmaceutics. The purpose of this study is to move away from the case study approach by investigating thermodynamic and kinetic parameters as potential predictors of physical...

Vibrational and optical properties of amorphous metals: Progress report, July 1, 1987--June 30, 1988

International Nuclear Information System (INIS)

Lannin, J.S.

1988-02-01

Substantial progress has been achieved in the three areas of Raman scattering, inelastic neutron scattering and optical studies of amorphous metal alloys. In the Raman area, studies of amorphous disilicides of Ni and W, a-NiSi 2 and a-WSi 2 , were obtained that provide information on both the dynamics and short range order in the amorphous phase. Measurements of the Raman spectra have been compared to the neutron weighted densities of states of the corresponding crystalline systems. A detailed evaluation of the inelastic neutron spectra of the concentrated Ni alloy of a-Ni/sub .95/Tb/sub .05/ has recently been completed. Optical measurements of the real and imaginary parts of the dielectric function of a-Ni/sub .95/Tb/sub .05/ were also performed during this year using the technique of spectroscopic ellipsometry. Raman scattering measurements were performed on the amorphous state of the counterpart of the high temperature superconductor of crystalline YBa 2 Cu 3 O/sub x/

Inverse Resistance Change Cr2Ge2Te6-Based PCRAM Enabling Ultralow-Energy Amorphization.

Science.gov (United States)

Hatayama, Shogo; Sutou, Yuji; Shindo, Satoshi; Saito, Yuta; Song, Yun-Heub; Ando, Daisuke; Koike, Junichi

2018-01-24

Phase-change random access memory (PCRAM) has attracted much attention for next-generation nonvolatile memory that can replace flash memory and can be used for storage-class memory. Generally, PCRAM relies on the change in the electrical resistance of a phase-change material between high-resistance amorphous (reset) and low-resistance crystalline (set) states. Herein, we present an inverse resistance change PCRAM with Cr 2 Ge 2 Te 6 (CrGT) that shows a high-resistance crystalline reset state and a low-resistance amorphous set state. The inverse resistance change was found to be due to a drastic decrease in the carrier density upon crystallization, which causes a large increase in contact resistivity between CrGT and the electrode. The CrGT memory cell was demonstrated to show fast reversible resistance switching with a much lower operating energy for amorphization than a Ge 2 Sb 2 Te 5 memory cell. This low operating energy in CrGT should be due to a small programmed amorphous volume, which can be realized by a high-resistance crystalline matrix and a dominant contact resistance. Simultaneously, CrGT can break the trade-off relationship between the crystallization temperature and operating speed.

Clozapine-carboxylic acid plasticized co-amorphous dispersions: Preparation, characterization and solution stability evaluation

Directory of Open Access Journals (Sweden)

Ali Ahmed Mahmoud Abdelhaleem

2015-06-01

Full Text Available This study addressed the possibility of forming of co-amorphous systems between clozapine (CZ and various carboxylic acid plasticizers (CAPs. The aim was to improve the solubility and oral bioavailability of clozapine. Co-amorphous dispersions were prepared using modified solvent evaporation methodology at drug/plasticizer stoichiometric ratios of 1:1, 1:1.5 and 1:2. Solid state characterization was performed using differential scanning calorimetry, X-ray diffraction and infra red spectroscopy. Highly soluble homogeneous co-amorphous dispersions were formed between clozapine and CAPs via hydrogen bonding. The co-amorphous dispersions formed with tartaric acid (1:2 showed the highest dissolution percentage (> 95 % in 20 minutes compared to pure crystalline CZ (56 %. Highly stable solutions were obtained from co-amorphous CZ-citric and CZ-tartaric acid at 1:1.5 molar ratio. The prepared dispersions suggest the possibility of peroral or sublingual administration of highly soluble clozapine at a reduced dose with the great chance to bypass the first pass metabolism.

Characterization of Amorphous and Co-Amorphous Simvastatin Formulations Prepared by Spray Drying

Directory of Open Access Journals (Sweden)

Goedele Craye

2015-12-01

Full Text Available In this study, spray drying from aqueous solutions, using the surface-active agent sodium lauryl sulfate (SLS as a solubilizer, was explored as a production method for co-amorphous simvastatin–lysine (SVS-LYS at 1:1 molar mixtures, which previously have been observed to form a co-amorphous mixture upon ball milling. In addition, a spray-dried formulation of SVS without LYS was prepared. Energy-dispersive X-ray spectroscopy (EDS revealed that SLS coated the SVS and SVS-LYS particles upon spray drying. X-ray powder diffraction (XRPD and differential scanning calorimetry (DSC showed that in the spray-dried formulations the remaining crystallinity originated from SLS only. The best dissolution properties and a “spring and parachute” effect were found for SVS spray-dried from a 5% SLS solution without LYS. Despite the presence of at least partially crystalline SLS in the mixtures, all the studied formulations were able to significantly extend the stability of amorphous SVS compared to previous co-amorphous formulations of SVS. The best stability (at least 12 months in dry conditions was observed when SLS was spray-dried with SVS (and LYS. In conclusion, spray drying of SVS and LYS from aqueous surfactant solutions was able to produce formulations with improved physical stability for amorphous SVS.

Characterization of Amorphous and Co-Amorphous Simvastatin Formulations Prepared by Spray Drying.

Science.gov (United States)

Craye, Goedele; Löbmann, Korbinian; Grohganz, Holger; Rades, Thomas; Laitinen, Riikka

2015-12-03

In this study, spray drying from aqueous solutions, using the surface-active agent sodium lauryl sulfate (SLS) as a solubilizer, was explored as a production method for co-amorphous simvastatin-lysine (SVS-LYS) at 1:1 molar mixtures, which previously have been observed to form a co-amorphous mixture upon ball milling. In addition, a spray-dried formulation of SVS without LYS was prepared. Energy-dispersive X-ray spectroscopy (EDS) revealed that SLS coated the SVS and SVS-LYS particles upon spray drying. X-ray powder diffraction (XRPD) and differential scanning calorimetry (DSC) showed that in the spray-dried formulations the remaining crystallinity originated from SLS only. The best dissolution properties and a "spring and parachute" effect were found for SVS spray-dried from a 5% SLS solution without LYS. Despite the presence of at least partially crystalline SLS in the mixtures, all the studied formulations were able to significantly extend the stability of amorphous SVS compared to previous co-amorphous formulations of SVS. The best stability (at least 12 months in dry conditions) was observed when SLS was spray-dried with SVS (and LYS). In conclusion, spray drying of SVS and LYS from aqueous surfactant solutions was able to produce formulations with improved physical stability for amorphous SVS.

Evolution of optical properties and band structure from amorphous to crystalline Ga2O3 films

Science.gov (United States)

Zhang, Fabi; Li, Haiou; Cui, Yi-Tao; Li, Guo-Ling; Guo, Qixin

2018-04-01

The optical properties and band structure evolution from amorphous to crystalline Ga2O3 films was investigated in this work. Amorphous and crystalline Ga2O3 films were obtained by changing the growth substrate temperatures of pulsed laser deposition and the crystallinity increase with the rising of substrate temperature. The bandgap value and ultraviolet emission intensity of the films increase with the rising of crystallinity as observed by means of spectrophotometer and cathodoluminescence spectroscopy. Abrupt bandgap value and CL emission variations were observed when amorphous to crystalline transition took place. X-ray photoelectron spectroscopy core level spectra reveal that more oxygen vacancies and disorders exist in amorphous Ga2O3 film grown at lower substrate temperature. The valence band spectra of hard X-ray photoelectron spectroscopy present the main contribution from Ga 4sp for crystalline film deposited at substrate temperature of 500 oC, while extra subgap states has been observed in amorphous film deposited at 300 oC. The oxygen vacancy and the extra subgap density of states are suggested to be the parts of origin of bandgap and CL spectra variations. The experimental data above yields a realistic picture of optical properties and band structure variation for the amorphous to crystalline transition of Ga2O3 films.

Solid state photochemistry. Subpanel A-2(b): Metastability in hydrogenated amorphous silicon

Energy Technology Data Exchange (ETDEWEB)

Carlson, D. [Solarex Corporation, Newton, PA (United States)

1996-09-01

All device quality amorphous silicon based materials exhibit degradation in electronic properties when exposed to sunlight. The photo-induced defects are associated with Si dangling bonds that are created by the recombination and/or trapping of photogenerated carriers. The defects are metastable and can be annealed out at temperatures of about 150 to 200 degrees Centigrade. The density of metastable defects is larger in films that are contaminated with > 10{sup 19} per cubic cm of impurities such as oxygen, carbon and nitrogen. However, recent experimental results indicate that some metastable defects are still present in films with very low impurity concentrations. The photo-induced defects typically saturate after 100 to 1000 hours of exposure to one sun illumination depending on the deposition conditions. There is also experimental evidence that photo-induced structural changes are occurring in the amorphous silicon based materials and that hydrogen may be playing an important role in both the photo-induced structural changes and in the creation of metastable defects.

Fundamentals of amorphous solids structure and properties

CERN Document Server

Stachurski, Zbigniew H

2014-01-01

Long awaited, this textbook fills the gap for convincing concepts to describe amorphous solids. Adopting a unique approach, the author develops a framework that lays the foundations for a theory of amorphousness. He unravels the scientific mysteries surrounding the topic, replacing rather vague notions of amorphous materials as disordered crystalline solids with the well-founded concept of ideal amorphous solids. A classification of amorphous materials into inorganic glasses, organic glasses, glassy metallic alloys, and thin films sets the scene for the development of the model of ideal amorph

Physics of amorphous metals

CERN Document Server

Kovalenko, Nikolai P; Krey, Uwe

2008-01-01

The discovery of bulk metallic glasses has led to a large increase in the industrial importance of amorphous metals, and this is expected to continue. This book is the first to describe the theoretical physics of amorphous metals, including the important theoretical development of the last 20 years.The renowned authors stress the universal aspects in their description of the phonon or magnon low-energy excitations in the amorphous metals, e.g. concerning the remarkable consequences of the properties of these excitations for the thermodynamics at low and intermediate temperatures. Tunneling

Amorphous nanoparticles — Experiments and computer simulations

International Nuclear Information System (INIS)

Hoang, Vo Van; Ganguli, Dibyendu

2012-01-01

The data obtained by both experiments and computer simulations concerning the amorphous nanoparticles for decades including methods of synthesis, characterization, structural properties, atomic mechanism of a glass formation in nanoparticles, crystallization of the amorphous nanoparticles, physico-chemical properties (i.e. catalytic, optical, thermodynamic, magnetic, bioactivity and other properties) and various applications in science and technology have been reviewed. Amorphous nanoparticles coated with different surfactants are also reviewed as an extension in this direction. Much attention is paid to the pressure-induced polyamorphism of the amorphous nanoparticles or amorphization of the nanocrystalline counterparts. We also introduce here nanocomposites and nanofluids containing amorphous nanoparticles. Overall, amorphous nanoparticles exhibit a disordered structure different from that of corresponding bulks or from that of the nanocrystalline counterparts. Therefore, amorphous nanoparticles can have unique physico-chemical properties differed from those of the crystalline counterparts leading to their potential applications in science and technology.

Uniaxial in-plane magnetization of iron nanolayers grown within an amorphous matrix

Energy Technology Data Exchange (ETDEWEB)

Ghafari, M., E-mail: mohammad.ghafari@kit.edu; Hahn, H. [Herbert Gleiter Institute of Nanoscience, Nanjing University of Science and Technology, Nanjing 210094 (China); Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Mattheis, R. [Leibniz Institute for Photonic Technology IPHT, Jena (Germany); McCord, J. [Institute for Materials Science, Kiel University Kiel, Kaiserstraße 2, 24143 Kiel (Germany); Brand, R. A. [Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Macedo, W. A. A. [Laboratório de Física Aplicada, Centro de Desenvolvimento da Tecnologia Nuclear (CDTN), 31270-901 Belo Horizonte, MG (Brazil)

2014-08-18

Conversion electron Mössbauer spectroscopy is used to determine the magnetic ground state at zero magnetic field of four-monolayer thick amorphous iron layers as part of a CoFeB-Fe multilayer stack. By comparing the intensities of the magnetic hyperfine field, an easy in-plane axis of the amorphous embedded Fe layer is verified, which is collinear to the uniaxial anisotropy axis of the neighboring amorphous CoFeB. Despite the soft magnetic character of the Fe layers, external fields up to 4 T perpendicular to the film plane are insufficient to completely align the embedded Fe moments parallel to the magnetic field due to a local disorder of the magnetic moments of the Fe atoms.

Research Progress on Fe-based Amorphous Coatings

Directory of Open Access Journals (Sweden)

LIANG Xiu-bing

2017-09-01

Full Text Available The latest research progresses on Fe-based amorphous coatings were reviewed. The typical alloy system and the classification of Fe-based amorphous coatings were clarified. The status, progress and development of the Fe-based amorphous coatings prepared by thermal spray processing and laser cladding process were discussed. The main mechanical properties and potential applications of the Fe-based amorphous coatings were also described. Furthermore, based on the main problems mentioned above, the future development of the Fe-based amorphous coatings was discussed, including the exploitation preparation technologies of high amorphous content of the Fe-based coatings, the development of the low cost and high performance Fe-based coating alloys system, the broadening application of Fe-based amorphous coatings, and so on.

Amorphous drugs and dosage forms

DEFF Research Database (Denmark)

Grohganz, Holger; Löbmann, K.; Priemel, P.

2013-01-01

The transformation to an amorphous form is one of the most promising approaches to address the low solubility of drug compounds, the latter being an increasing challenge in the development of new drug candidates. However, amorphous forms are high energy solids and tend to recry stallize. New...... formulation principles are needed to ensure the stability of amorphous drug forms. The formation of solid dispersions is still the most investigated approach, but additional approaches are desirable to overcome the shortcomings of solid dispersions. Spatial separation by either coating or the use of micro-containers...... before single molecules are available for the formation of crystal nuclei, thus stabilizing the amorphous form....

Pressure-jump induced rapid solidification of melt: a method of preparing amorphous materials

Science.gov (United States)

Liu, Xiuru; Jia, Ru; Zhang, Doudou; Yuan, Chaosheng; Shao, Chunguang; Hong, Shiming

2018-04-01

By using a self-designed pressure-jump apparatus, we investigated the melt solidification behavior in rapid compression process for several kinds of materials, such as elementary sulfur, polymer polyether-ether-ketone (PEEK) and poly-ethylene-terephthalate, alloy La68Al10Cu20Co2 and Nd60Cu20Ni10Al10. Experimental results clearly show that their melts could be solidified to be amorphous states through the rapid compression process. Bulk amorphous PEEK with 24 mm in diameter and 12 mm in height was prepared, which exceeds the size obtained by melt quenching method. The bulk amorphous sulfur thus obtained exhibited extraordinarily high thermal stability, and an abnormal exothermic transition to liquid sulfur was observed at around 396 K for the first time. Furthermore, it is suggested that the glass transition pressure and critical compression rate exist to form the amorphous phase. This approach of rapid compression is very attractive not only because it is a new technique of make bulk amorphous materials, but also because novel properties are expected in the amorphous materials solidified by the pressure-jump within milliseconds or microseconds.

Spectroscopic and mechanical studies on the Fe-based amorphous alloy 2605SA1

International Nuclear Information System (INIS)

Cabral P, A.; Garcia S, I.; Contreras V, J. A.; Garcia S, F.; Nava, N.

2010-01-01

The Vickers micro-hardness of this alloy was unusually dependent on the heat treatment from 300 to 634 K, inferring important micro-structural changes and the presence of amorphous grains before its phase transition. Once the alloy is crystallized, the micro-hardness is characteristic of a brittle alloy, the main problem of these alloys. Within the amorphous state, other properties like free-volume, magnetic states and Fe-Fe distances were followed by Positron annihilation lifetime spectroscopy and Moessbauer spectroscopy, respectively, to analyze those micro-structural changes, thermally induced, which are of paramount interest to understand their brittleness problem. (Author)

Spectroscopic and mechanical studies on the Fe-based amorphous alloy 2605SA1

Energy Technology Data Exchange (ETDEWEB)

Cabral P, A.; Garcia S, I. [ININ, Departamento de Quimica, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico); Contreras V, J. A.; Garcia S, F. [Universidad Autonoma del Estado de Mexico, Facultad de Ciencias, El Cerrillo Piedras Blancas, Toluca, Estado de Mexico (Mexico); Nava, N., E-mail: agustin.cabral@inin.gob.m [Instituto Mexicano del Petroleo, Eje Central Lazaro Cardenas No. 152, Col. San Bartolo Atepehuacan, 07730 Mexico D. F. (Mexico)

2010-07-01

The Vickers micro-hardness of this alloy was unusually dependent on the heat treatment from 300 to 634 K, inferring important micro-structural changes and the presence of amorphous grains before its phase transition. Once the alloy is crystallized, the micro-hardness is characteristic of a brittle alloy, the main problem of these alloys. Within the amorphous state, other properties like free-volume, magnetic states and Fe-Fe distances were followed by Positron annihilation lifetime spectroscopy and Moessbauer spectroscopy, respectively, to analyze those micro-structural changes, thermally induced, which are of paramount interest to understand their brittleness problem. (Author)

An example of how to handle amorphous fractions in API during early pharmaceutical development: SAR114137--a successful approach.

Science.gov (United States)

Petzoldt, Christine; Bley, Oliver; Byard, Stephen J; Andert, Doris; Baumgartner, Bruno; Nagel, Norbert; Tappertzhofen, Christoph; Feth, Martin Philipp

2014-04-01

The so-called pharmaceutical solid chain, which encompasses drug substance micronisation to the final tablet production, at pilot plant scale is presented as a case study for a novel, highly potent, pharmaceutical compound: SAR114137. Various solid-state analytical methods, such as solid-state Nuclear Magnetic Resonance (ssNMR), Differential Scanning Calorimetry (DSC), Dynamic Water Vapour Sorption Gravimetry (DWVSG), hot-stage Raman spectroscopy and X-ray Powder Diffraction (XRPD) were applied and evaluated to characterise and quantify amorphous content during the course of the physical treatment of crystalline active pharmaceutical ingredient (API). DSC was successfully used to monitor the changes in amorphous content during micronisation of the API, as well as during stability studies. (19)F solid-state NMR was found to be the method of choice for the detection and quantification of low levels of amorphous API, even in the final drug product (DP), since compaction during tablet manufacture was identified as a further source for the formation of amorphous API. The application of different jet milling techniques was a critical factor with respect to amorphous content formation. In the present case, the change from spiral jet milling to loop jet milling led to a decrease in amorphous API content from 20-30 w/w% to nearly 0 w/w% respectively. The use of loop jet milling also improved the processability of the API. Stability investigations on both the milled API and the DP showed a marked tendency for recrystallisation of the amorphous API content on exposure to elevated levels of relative humidity. No significant impact of amorphous API on either the chemical stability or the dissolution rate of the API in drug formulation was observed. Therefore, the presence of amorphous content in the oral formulation was of no consequence for the clinical trial phases I and II. Copyright © 2013 Elsevier B.V. All rights reserved.

Amorphous iron (II) carbonate

DEFF Research Database (Denmark)

Sel, Ozlem; Radha, A.V.; Dideriksen, Knud

2012-01-01

Abstract The synthesis, characterization and crystallization energetics of amorphous iron (II) carbonate (AFC) are reported. AFC may form as a precursor for siderite (FeCO3). The enthalpy of crystallization (DHcrys) of AFC is similar to that of amorphous magnesium carbonate (AMC) and more...

Amorphization of ceramics by ion beams

International Nuclear Information System (INIS)

McHargue, C.J.; Farlow, G.C.; White, C.W.; Williams, J.M.; Appleton, B.R.; Naramoto, H.

1984-01-01

The influence of the implantation parameters fluence, substrate temperature, and chemical species on the formation of amorphous phases in Al 2 O 3 and α-SiC was studied. At 300 0 K, fluences in excess of 10 17 ions.cm -2 were generally required to amorphize Al 2 O 3 ; however, implantation of zirconium formed the amorphous phase at a fluence of 4 x 10 16 Zr.cm -2 . At 77 0 K, the threshold fluence was lowered to about 2 x 10 15 Cr.cm -2 . Single crystals of α-SiC were amorphized at 300 0 K by a fluence of 2 x 10 14 Cr.cm -2 or 1 x 10 15 N.cm -2 . Implantation at 1023 0 K did not produce the amorphous phase in SiC. The micro-indentation hardness of the amorphous material was about 60% of that of the crystalline counterpart

Amorphization within the tablet

DEFF Research Database (Denmark)

Doreth, Maria; Hussein, Murtadha Abdul; Priemel, Petra A.

2017-01-01

, the feasibility of microwave irradiation to prepare amorphous solid dispersions (glass solutions) in situ was investigated. Indomethacin (IND) and polyvinylpyrrolidone K12 (PVP) were tableted at a 1:2 (w/w) ratio. In order to study the influence of moisture content and energy input on the degree of amorphization......, tablet formulations were stored at different relative humidity (32, 43 and 54% RH) and subsequently microwaved using nine different power-time combinations up to a maximum energy input of 90 kJ. XRPD results showed that up to 80% (w/w) of IND could be amorphized within the tablet. mDSC measurements...

Critical phenomena and exchange interactions of an amorphous ferromagnet: gadolinium--gold

International Nuclear Information System (INIS)

Poon, S.J.; Durand, J.

1976-07-01

Magnetization was measured between 4 and 290 0 K in fields up to 70 kOe on liquid-quenched Gd 80 Au 20 amorphous alloys. The Curie temperature and critical exponents β, γ and delta are found to be 149.45 0 K, 0.439, 1.294 and 3.948 respectively. These values are compared with the Heisenberg and molecular field values. The data are fitted to an equation of state previously derived for second order phase transition in fluid systems. The results illustrate clearly a second order phase transition in the amorphous state. A discussion in terms of the Heisenberg model is presented. The effective magnetic moment in the paramagnetic state has a value of 9.37 μ/sub B/ per gadolinium atom. The saturation moment extrapolated to 0 0 K is 7.0 μ/sub B/ per gadolinium atom. The low temperature saturation magnetization observes the T/sup 3 / 2 / law from 0.13 T/sub c/ to 0.80 T/sub c/. The effective exchange integrals J/sub n/ determined from the Rushbrooke--Wood formula and spin-wave theory are found to be 2.28 and 1.34 0 K respectively. The differences in J/sub n/ and that between the effective moment and saturation moment are attributed to the nearest-neighbor antiferromagnetic couplings below T/sub c/. Possible effects of structural disorder on the magnetic properties of Gd in the amorphous state are discussed

Electronic structure and chemical bonding of nanocrystalline-TiC/amorphous-C nanocomposites

OpenAIRE

Magnuson, Martin; Lewin, Erik; Hultman, Lars; Jansson, Ulf

2009-01-01

Theelectronic structure of nanocrystalline (nc-) TiC/amorphous C nanocomposites has beeninvestigated by soft x-ray absorption and emission spectroscopy. The measuredspectra at the Ti 2p and C 1s thresholds of the nanocompositesare compared to those of Ti metal and amorphous C.The corresponding intensities of the electronic states for the valenceand conduction bands in the nanocomposites are shown to stronglydepend on the TiC carbide grain size. An increased chargetransfer between the Ti 3d-eg...

Moessbauer and transport studies of amorphous and icosahedral Zr-Ni-Cu-Ag-Al alloys

International Nuclear Information System (INIS)

Stadnik, Z.M.; Rapp, O.; Srinivas, V.; Saida, J.; Inoue, A.

2002-01-01

The alloy Zr 65 Al 7.5 Ni 10 Cu 7.3 Fe 0.2 Ag 10 in the amorphous and icosahedral states, and the bulk amorphous alloy Zr 65 Al 7.5 Ni 10 Cu 7.5 Ag 10 , have been studied with 57 Fe Moessbauer spectroscopy, electrical resistance and magnetoresistance techniques. The average quadrupole splitting in both alloys decreases with temperature as T 3/2 . The average quadrupole splitting in the icosahedral alloy is the largest ever reported for a metallic system. The lattice vibrations of the Fe atoms in the amorphous and icosahedral alloys are well described by a simple Debye model, with the characteristic Moessbauer temperatures of 379(29) and 439(28) K, respectively. Amorphous alloys Zr 65 Al 7. )5Ni 10 Cu 7.5 Ag 10 and Zr 65 Al 7.5 Ni 10 Cu 7.3 Fe 0.2 Ag 10 have been found to be superconducting with the transition temperature, T c , of about 1.7 K. The magnitude of Tc and the critical field slope at Tc are in agreement with previous work on Zr-based amorphous superconductors, while the low-temperature normal state resistivity is larger than typical results for binary and ternary Zr-based alloys. The resistivity of icosahedral Zr 65 Al 7.5 Ni 10 Cu 7.3 Fe 0.2 Ag 10 is larger than that for the amorphous ribbon of the same composition, as inferred both from direct measurements on the ribbons and from the observed magnetoresistance. However the icosahedral sample is non-superconducting in the measurement range down to 1.5 K. The results for the resistivity and the superconducting T c both suggest a stronger electronic disorder in the icosahedral phase than in the amorphous phase. (author)

Amorphous titanium-oxide supercapacitors

Science.gov (United States)

Fukuhara, Mikio; Kuroda, Tomoyuki; Hasegawa, Fumihiko

2016-10-01

The electric capacitance of an amorphous TiO2-x surface increases proportionally to the negative sixth power of the convex diameter d. This occurs because of the van der Waals attraction on the amorphous surface of up to 7 mF/cm2, accompanied by extreme enhanced electron trapping resulting from both the quantum-size effect and an offset effect from positive charges at oxygen-vacancy sites. Here we show that a supercapacitor, constructed with a distributed constant-equipment circuit of large resistance and small capacitance on the amorphous TiO2-x surface, illuminated a red LED for 37 ms after it was charged with 1 mA at 10 V. The fabricated device showed no dielectric breakdown up to 1,100 V. Based on this approach, further advances in the development of amorphous titanium-dioxide supercapacitors might be attained by integrating oxide ribbons with a micro-electro mechanical system.

Evolution of optical properties and band structure from amorphous to crystalline Ga2O3 films

Directory of Open Access Journals (Sweden)

Fabi Zhang

2018-04-01

Full Text Available The optical properties and band structure evolution from amorphous to crystalline Ga2O3 films was investigated in this work. Amorphous and crystalline Ga2O3 films were obtained by changing the growth substrate temperatures of pulsed laser deposition and the crystallinity increase with the rising of substrate temperature. The bandgap value and ultraviolet emission intensity of the films increase with the rising of crystallinity as observed by means of spectrophotometer and cathodoluminescence spectroscopy. Abrupt bandgap value and CL emission variations were observed when amorphous to crystalline transition took place. X-ray photoelectron spectroscopy core level spectra reveal that more oxygen vacancies and disorders exist in amorphous Ga2O3 film grown at lower substrate temperature. The valence band spectra of hard X-ray photoelectron spectroscopy present the main contribution from Ga 4sp for crystalline film deposited at substrate temperature of 500 oC, while extra subgap states has been observed in amorphous film deposited at 300 oC. The oxygen vacancy and the extra subgap density of states are suggested to be the parts of origin of bandgap and CL spectra variations. The experimental data above yields a realistic picture of optical properties and band structure variation for the amorphous to crystalline transition of Ga2O3 films.

Enriched Boron-Doped Amorphous Selenium Based Position-Sensitive Solid-State Thermal Neutron Detector for MPACT Applications

Energy Technology Data Exchange (ETDEWEB)

Mandal, Krishna [Univ. of South Carolina, Columbia, SC (United States)

2017-09-29

High-efficiency thermal neutron detectors with compact size, low power-rating and high spatial, temporal and energy resolution are essential to execute non-proliferation and safeguard protocols. The demands of such detector are not fully covered by the current detection system such as gas proportional counters or scintillator-photomultiplier tube combinations, which are limited by their detection efficiency, stability of response, speed of operation, and physical size. Furthermore, world-wide shortage of ³He gas, required for widely used gas detection method, has further prompted to design an alternative system. Therefore, a solid-state neutron detection system without the requirement of ³He will be very desirable. To address the above technology gap, we had proposed to develop new room temperature solidstate thermal neutron detectors based on enriched boron (¹⁰B) and enriched lithium (⁶Li) doped amorphous Se (As- 0.52%, Cl 5 ppm) semiconductor for MPACT applications. The proposed alloy materials have been identified for its many favorable characteristics - a wide bandgap (~2.2 eV at 300 K) for room temperature operation, high glass transition temperature (t_g ~ 85°C), a high thermal neutron cross-section (for boron ~ 3840 barns, for lithium ~ 940 barns, 1 barn = 10^-24 cm²), low effective atomic number of Se for small gamma ray sensitivity, and high radiation tolerance due to its amorphous structure.

Investigation of the milling-induced thermal behavior of crystalline and amorphous griseofulvin.

Science.gov (United States)

Trasi, Niraj S; Boerrigter, Stephan X M; Byrn, Stephen Robert

2010-07-01

To gain a better understanding of the physical state and the unusual thermal behavior of milled griseofulvin. Griseofulvin crystals and amorphous melt quench samples were milled in a vibrating ball mill for different times and then analyzed using differential scanning calorimetry (DSC) and powder X-ray diffraction (PXRD). Modulated DSC (mDSC) and annealing studies were done for the milled amorphous samples to further probe the effects of milling. Milling of griseofulvin crystals results in decrease in crystallinity and amorphization of the compound. A double peak is seen for crystallization in the DSC, which is also seen for the milled melt quench sample. Both enthalpy and temperature of crystallization decrease for the milled melt quenched sample. Tg is visible under the first peak with the mDSC, and annealing shows that increasing milling time results in faster crystallization upon storage. Milling of griseofulvin results in the formation of an amorphous form and not a mesophase. It increases the amount of surface created and the overall energy of the amorphous griseofulvin, which leads to a decreased temperature of crystallization. The two exotherms in the DSC are due to some particles having nuclei on the surface.

Amorphous silicon based particle detectors

OpenAIRE

Wyrsch, N.; Franco, A.; Riesen, Y.; Despeisse, M.; Dunand, S.; Powolny, F.; Jarron, P.; Ballif, C.

2012-01-01

Radiation hard monolithic particle sensors can be fabricated by a vertical integration of amorphous silicon particle sensors on top of CMOS readout chip. Two types of such particle sensors are presented here using either thick diodes or microchannel plates. The first type based on amorphous silicon diodes exhibits high spatial resolution due to the short lateral carrier collection. Combination of an amorphous silicon thick diode with microstrip detector geometries permits to achieve micromete...

Inelastic scattering from amorphous solids

International Nuclear Information System (INIS)

Price, D.L.

1985-08-01

The potential of inelastic neutron scattering techniques for surveying various aspects of the dynamics of amorphous solids is briefly reviewed. The recent use of the Intense Pulsed Neutron Source to provide detailed information on the optical vibrations of glasses is discussed in more detail. The density of states represents an averaged quantity which gives information about the general characteristics of the structure and bonding. More extensive information can be obtained by studying the detailed wavevector dependence of the dynamic structure factor. 15 refs., 7 figs

Characterization of ZSM-5 zeolites synthesized by amorphous seed method by 29 Si solid state NMR

International Nuclear Information System (INIS)

Souza, Claudia M.G. de; Lau, Yiu Lam; Menezes, Sonia Cabral de

1993-01-01

The main objective of this analysis was to study the structure of samples synthesised by the amorphous seed method. The implications of this process upon the synthesized material were unknown. In the synthesis it was used ethanol and amorphous seed, which were added to the final synthesis mixture. It was observed a very significant reduction in the reaction time when compared to conventional synthesis. NMR was used to study the defects in the crystal lattice. Results are presented and discussed

Dependence of tracer diffusion on atomic size in amorphous Ni-Zr

International Nuclear Information System (INIS)

Hahn, H.; Averback, R.S.

1988-01-01

Tracer diffusion coefficients for several impurities and Ni self-atoms were measured in amorphous (a-) Ni/sub 50/Zr/sub 50/ at 573 K using secondary-ion-mass spectroscopy, Rutherford backscattering, and radioactive tracer methods. The results showed that atomic mobility in the a-Ni-Zr alloy depends strongly on atomic size, decreasing rapidly with increasing atomic radius. This diffusion behavior is similar to that in α-Zr and α-Ti and is suggestive of an interstitial-like mechanism of diffusion. The consequences of these results for solid-state amorphization transformations are discussed

Understanding API-polymer proximities in amorphous stabilized composite drug products using fluorine-carbon 2D HETCOR solid-state NMR.

Science.gov (United States)

Abraham, Anuji; Crull, George

2014-10-06

A simple and robust method for obtaining fluorine-carbon proximities was established using a (19)F-(13)C heteronuclear correlation (HETCOR) two-dimensional (2D) solid-state nuclear magnetic resonance (ssNMR) experiment under magic-angle spinning (MAS). The method was applied to study a crystalline active pharmaceutical ingredient (API), avagacestat, containing two types of fluorine atoms and its API-polymer composite drug product. These results provide insight into the molecular structure, aid with assigning the carbon resonances, and probe API-polymer proximities in amorphous spray dried dispersions (SDD). This method has an advantage over the commonly used (1)H-(13)C HETCOR because of the large chemical shift dispersion in the fluorine dimension. In the present study, fluorine-carbon distances up to 8 Å were probed, giving insight into the API structure, crystal packing, and assignments. Most importantly, the study demonstrates a method for probing an intimate molecular level contact between an amorphous API and a polymer in an SDD, giving insights into molecular association and understanding of the role of the polymer in API stability (such as recrystallization, degradation, etc.) in such novel composite drug products.

Origins of amorphous interstellar grains

International Nuclear Information System (INIS)

Hasegawa, H.

1984-01-01

The existence of amorphous interstellar grains has been suggested from infrared observations. Some carbon stars show the far infrared emission with a lambda -1 wavelength dependence. Far infrared emission supposed to be due to silicate grains often show the lambda -1 wavelength dependence. Mid infrared spectra around 10 μm have broad structure. These may be due to the amorphous silicate grains. The condition that the condensed grains from the cosmic gas are amorphous is discussed. (author)

Pressure-induced amorphization of NaVO/sub 3 at room temperature and its re-crystallization

International Nuclear Information System (INIS)

Shen, Z.X.; Ong, C.W.; Tang, S.H.; Kuok, M.H.

1994-01-01

Pressure-induced amorphization is the subject of intense study for the past few years because of its importance in material science and in solid state physics. We reported a crystalline-amorphous phase transition at ca 60kbar in NaVO1/3, which is the lowest pressure for such transitions in ionic crystals. The transition is marked by the sudden appearance of very broad bands at the 800 and 350 cm/sup -1 regions. The amorphization includes the complete breaking up of the infinite chains of corner-linked tetrahedral VO/sub 4, most likely into VO/sup -/sub 3. On decompression, the amorphous phase transforms to another phase, probably also amorphous at ca 40 kbar. It reverts to the stable ambient condition α-phase upon heating. Here we report on the details of the transtitional region and the re-linking of the VO/sub 4 chains upon heating. (authors)

Influence of structural relaxation and partial devitrification on the corrosion resistance of Fe78B13Si9 amorphous alloy

International Nuclear Information System (INIS)

Souza, C.A.C.; Politi, F.S.; Kiminami, C.S.

1998-01-01

Amorphous alloys obtained by rapid solidification from the melt exhibit a similar structure to those observed in the liquid state, i.e., without long range ordering, in such a way that the constituents of the alloy usually are randomly and homogeneously distributed. Amorphous alloys, depending on their composition, may exhibit interesting characteristics such as very soft magnetic properties and improved resistance to corrosion. The high corrosion resistance of these alloys is attributed mainly to a higher rate of dissolution of passivating elements in the amorphous state. In addition, amorphous alloys are chemically homogeneous and free of defects such as grain boundaries, precipitates and segregation, which are favorable sites for corrosion. The corrosion resistance of amorphous alloys also depends on their thermal history. Several authors have reported that structural changes, such as structural relaxation and devitrification caused by annealing, change significantly the corrosion properties of these alloys. The purpose of this paper is to study corrosion resistance of the amorphous FeBSi alloy and the effects of structural changes such as structural relaxation and partial crystallization caused by annealing

Theoretical study of the localization-delocalization transition in amorphous molybdenum-germanium alloys

International Nuclear Information System (INIS)

Ding, K.; Andersen, H.C.

1987-01-01

Electronic structure calculations were performed for amorphous germanium and amorphous alloys of molybdenum and germanium. The calculations used Harrison's universal linear-combination-of-atomic-orbitals parameters to generate one-electron Hamiltonians for structural configurations obtained from molecular-dynamics simulations. The density of states calculated for a model of a-Ge showed a distinct pseudogap, although with an appreciable density of states at the minimum. The states in the pseudogap are localized. As the concentration of Mo atoms increases, the pseudogap of the density of states is gradually filled up. The density of states at the Fermi energy calculated for our model of the alloys agrees quite well with that experimentally determined by Yoshizumi, Geballe, and co-workers. The localization index for the states at the Fermi energy is a decreasing function of Mo concentration in the range of 2--14 at. % Mo and the localization length is an increasing function of molybdenum concentration. These results are consistent with the experimental observation of an insulator-metal transition at about 10 at. % Mo

Study of Sn100-xMnx amorphous system by 119Sn Moessbauer spectroscopy

International Nuclear Information System (INIS)

Drago, V.

1986-01-01

Thin films of Sn 100-x Mn x amorphous alloys with large range of concentrations were procedure by vapor condensation technique on substrates at temperatures near to liquid helium. The magnetic and paramagnetic hyperfine spectra, and the ordering temperatures were measured by 119 Sn Moessbauer effect. The electrical resistivity was used for characterizing the amorphous state. All the measurements were done 'in situ'. A magnetic phase diagram is proposed. (M.C.K.) [pt

Recent advances in co-amorphous drug formulations

DEFF Research Database (Denmark)

Dengale, Swapnil Jayant; Grohganz, Holger; Rades, Thomas

2016-01-01

with other amorphous stabilization techniques. Because of this, several research groups started to investigate the co-amorphous formulation approach, resulting in an increasing amount of scientific publications over the last few years. This study provides an overview of the co-amorphous field and its recent......Co-amorphous drug delivery systems have recently gained considerable interest in the pharmaceutical field because of their potential to improve oral bioavailability of poorly water-soluble drugs through drug dissolution enhancement as a result of the amorphous nature of the material. A co...... findings. In particular, we investigate co-amorphous formulations from the viewpoint of solid dispersions, describe their formation and mechanism of stabilization, study their impact on dissolution and in vivo performance and briefly outline the future potentials....

Casimir Force Contrast Between Amorphous and Crystalline Phases of AIST

NARCIS (Netherlands)

Torricelli, Gauthier; van Zwol, Peter J.; Shpak, Olex; Palasantzas, George; Svetovoy, Vitaly B.; Binns, Chris; Kooi, Bart J.; Jost, Peter; Wuttig, Matthias

2012-01-01

Phase change materials (PCMs) can be rapidly and reversibly switched between the amorphous and crystalline state. The structural transformation is accompanied by a significant change of optical and electronic properties rendering PCMs suitable for rewritable optical data storage and non-volatile

Casimir Force Contrast Between Amorphous and Crystalline Phases of AIST

NARCIS (Netherlands)

Torrichelli, G.; van Zwol, P.J.; Shpak, O.; Palasantzas, G.; Svetovoy, Vitaly; Binns, C.; Kooi, B.J.; Jost, P.; Wittig, M.

2012-01-01

Phase change materials (PCMs) can be rapidly and reversibly switched between the amorphous and crystalline state. The structural transformation is accompanied by a signifi cant change of optical and electronic properties rendering PCMs suitable for rewritable optical data storage and nonvolatile

The influence of pressure on the intrinsic dissolution rate of amorphous indomethacin

DEFF Research Database (Denmark)

Löbmann, Korbinian; Flouda, Konstantina; Qiu, Danwen

2014-01-01

of different compression pressures on the IDR was determined from powder compacts of amorphous (ball-milling) indomethacin (IND), a glass solution of IND and poly(vinylpyrrolidone) (PVP) and crystalline IND. Solid state properties were analyzed with X-ray powder diffraction (XRPD) and the final compacts were...... and to test the potential dissolution advantage of the amorphous form. However, neither the United States Pharmacopeia (USP) nor the European Pharmacopeia (Ph.Eur) state specific limitations for the compression pressure in order to obtain compacts for the IDR determination. In this study, the influence...... visually observed to study the effects of compaction pressure on their surface properties. It was found that there is no significant correlation between IDR and compression pressure for crystalline IND and IND-PVP. This was in line with the observation of similar surface properties of the compacts. However...

Long-Term Stability of New Co-Amorphous Drug Binary Systems: Study of Glass Transitions as a Function of Composition and Shelf Time

Directory of Open Access Journals (Sweden)

Luz María Martínez

2016-12-01

Full Text Available The amorphous state is of particular interest in the pharmaceutical industry due to the higher solubility that amorphous active pharmaceutical ingredients show compared to their respective crystalline forms. Due to their thermodynamic instability, drugs in the amorphous state tend to recrystallize; in order to avoid crystallization, it has been a common strategy to add a second component to hinder the crystalline state and form a thermally stable co-amorphous system, that is to say, an amorphous binary system which retains its amorphous structure. The second component can be a small molecule excipient (such as a sugar or an aminoacid or a second drug, with the advantage that a second active pharmaceutical ingredient could be used for complementary or combined therapeutic purposes. In most cases, the compositions studied are limited to 1:1, 2:1 and 1:2 molar ratios, leaving a gap of information about phase transitions and stability on the amorphous state in a wider range of compositions. In the present work, a study of novel co–amorphous formulations in which the selection of the active pharmaceutical ingredients was made according to the therapeutic effect is presented. Resistance against crystallization and behavior of glass transition temperature ( T g were studied through calorimetric measurements as a function of composition and shelf time. It was found that binary formulations with T g temperatures higher than those of pure components presented long-term thermal stability. In addition, significant increments of T g values, of as much as 15 ∘ C, were detected as a result of glass relaxation at room temperature during storage time; this behavior of glass transition has not been previously reported for co-amorphous drugs. Based on these results, it can be concluded that monitoring behavior of T g and relaxation processes during the first weeks of storage leads to a more objective evaluation of the thermomechanical stability of an amorphous

Colors and the evolution of amorphous galaxies

International Nuclear Information System (INIS)

Gallagher, J.S. III; Hunter, D.A.

1987-01-01

UBVRI and H-alpha photometric observations are presented for 16 amorphous galaxies and a comparison sample of Magellanic irregular (Im) and Sc spiral galaxies. These data are analyzed in terms of star-formation rates and histories in amorphous galaxies. Amorphous galaxies have mean global colors and star-formation rates per unit area that are similar to those in giant Im systems, despite differences in spatial distributions of star-forming centers in these two galactic structural classes. Amorphous galaxies differ from giant Im systems in having somewhat wider scatter in relationships between B - V and U - B colors, and between U - B and L(H-alpha)/L(B). This scatter is interpreted as resulting from rapid variations in star-formation rates during the recent past, which could be a natural consequence of the concentration of star-forming activity into centrally located, supergiant young stellar complexes in many amorphous galaxies. While the unusual spatial distribution and intensity of star formation in some amorphous galaxies is due to interactions with other galaxies, several amorphous galaxies are relatively isolated and thus the processes must be internal. The ultimate evolutionary fate of rapidly evolving amorphous galaxies remains unknown. 77 references

First-principles study of crystalline and amorphous AlMgB14-based materials

International Nuclear Information System (INIS)

Ivashchenko, V. I.; Shevchenko, V. I.; Turchi, P. E. A.; Veprek, S.; Leszczynski, Jerzy; Gorb, Leonid; Hill, Frances

2016-01-01

We report first-principles investigations of crystalline and amorphous boron and M1 x M2 y X z B 14−z (M1, M2 = Al, Mg, Li, Na, Y; X = Ti, C, Si) phases (so-called “BAM” materials). Phase stability is analyzed in terms of formation energy and dynamical stability. The atomic configurations as well as the electronic and phonon density states of these phases are compared. Amorphous boron consists of distorted icosahedra, icosahedron fragments, and dioctahedra, connected by an amorphous network. The presence of metal atoms in amorphous BAM materials precludes the formation of icosahedra. For all the amorphous structures considered here, the Fermi level is located in the mobility gap independent of the number of valence electrons. The intra-icosahedral vibrations are localized in the range of 800 cm −1 , whereas the inter-icosahedral vibrations appear at higher wavenumbers. The amorphization leads to an enhancement of the vibrations in the range of 1100–1250 cm −1 . The mechanical properties of BAM materials are investigated at equilibrium and under shear and tensile strain. The anisotropy of the ideal shear and tensile strengths is explained in terms of a layered structure of the B 12 units. The strength of amorphous BAM materials is lower than that of the crystalline counterparts because of the partial fragmentation of the boron icosahedra in amorphous structures. The strength enhancement found experimentally for amorphous boron-based films is very likely related to an increase in film density, and the presence of oxygen impurities. For crystalline BAM materials, the icosahedra are preserved during elongation upon tension as well as upon shear in the (010)[100] slip system.

Preparation and Cycling Performance of Iron or Iron Oxide Containing Amorphous Al-Li Alloys as Electrodes

Directory of Open Access Journals (Sweden)

Franziska Thoss

2014-12-01

Full Text Available Crystalline phase transitions cause volume changes, which entails a fast destroying of the electrode. Non-crystalline states may avoid this circumstance. Herein we present structural and electrochemical investigations of pre-lithiated, amorphous Al39Li43Fe13Si5-powders, to be used as electrode material for Li-ion batteries. Powders of master alloys with the compositions Al39Li43Fe13Si5 and Al39Li43Fe13Si5 + 5 mass-% FeO were prepared via ball milling and achieved amorphous/nanocrystalline states after 56 and 21.6 h, respectively. In contrast to their Li-free amorphous pendant Al78Fe13Si9, both powders showed specific capacities of about 400 and 700 Ah/kgAl, respectively, after the third cycle.

Irradiation of electron with high energy induced micro-crystallization of amorphous silicon

International Nuclear Information System (INIS)

Zhong Yule; Huang Junkai; Liu Weiping; Li Jingna

2001-01-01

Amorphous silicon is amorphous alloy of Si-H. It is random network of silicon with some hydrogen. And its structure has many unstable bonds as weak bonds of Si-Si and distortion bonds of all kinds. The bonds was broken or was out of shape by light and electrical ageing. It induced increase of defective state that causes character of material going to bad. This drawback will be overcome after micro-crystallization of amorphous silicon. It was discovered that a-Si:H was micro-crystallized by irradiated of electrons with energy of 0.3-0.5 MeV, density of electronic beam of 1.3 x 10 19 cm -1 s -1 and irradiated time of 10-600 s. Size of grain is 10-20 nm. Thick of microcrystalline lager is 25-250 nm

Crystallization of an amorphous Fe72Ni9Si8B11 alloy upon laser heating and isothermal annealing

International Nuclear Information System (INIS)

Girzhon, V.V.; Smolyakov, A.V.; Yastrebova, T.S.

2003-01-01

With the use of methods of x-ray diffraction, resistometric and metallographic analyses specific features of crystallization and phase formation in amorphous alloy Fe 72 Ni 9 Si 8 B 11 are studied under various heating conditions. It is shown that laser heating results in alloy crystallization by an explosive mechanism when attaining a certain density of irradiation power. It is stated that ribbon surface laser heating with simultaneous water cooling of an opposite surface allows manufacturing two-layer amorphous-crystalline structures of the amorphous matrix + α-(Fe, Si) - amorphous matrix type [ru

Silicon Monoxide at 1 atm and Elevated Pressures: Crystalline or Amorphous?

KAUST Repository

AlKaabi, Khalid

2014-03-05

The absence of a crystalline SiO phase under ordinary conditions is an anomaly in the sequence of group 14 monoxides. We explore theoretically ordered ground-state and amorphous structures for SiO at P = 1 atm, and crystalline phases also at pressures up to 200 GPa. Several competitive ground-state P = 1 atm structures are found, perforce with Si-Si bonds, and possessing Si-O-Si bridges similar to those in silica (SiO2) polymorphs. The most stable of these static structures is enthalpically just a little more stable than a calculated random bond model of amorphous SiO. In that model we find no segregation into regions of amorphous Si and amorphous SiO2. The P = 1 atm structures are all semiconducting. As the pressure is increased, intriguing new crystalline structures evolve, incorporating Si triangular nets or strips and stishovite-like regions. A heat of formation of crystalline SiO is computed; it is found to be the most negative of all the group 14 monoxides. Yet, given the stability of SiO2, the disproportionation 2SiO (s) → Si(s)+SiO2(s) is exothermic, falling right into the series of group 14 monoxides, and ranging from a highly negative ΔH of disproportionation for CO to highly positive for PbO. There is no major change in the heat of disproportionation with pressure, i.e., no range of stability of SiO with respect to SiO2. The high-pressure SiO phases are metallic. © 2014 American Chemical Society.

Amorphous semiconductors for particle detection: Physical and technical limits and possibilities

International Nuclear Information System (INIS)

Equer, B.; Karar, A.

1989-01-01

Amorphous silicon is used, at an industrial level, in at least three different fields of application: photovoltaic cells, flat TV screens and line scanners for image processing. In the last two cases, thin film transistors (TFT) are produced with the same technology. Particle detection with amorphous silicon has been demonstrated, but present performances are limited to ionizing particles. In this paper, we discuss the physical basis of amorphous semiconductors and the possible future development that can be expected on the basis of the existing technology. It is concluded that substitution of amorphous for crystalline silicon brings no clear advantage, if possible at all. Positive assets are to be found in using specific properties of thin layers: large area structures like arrays of photodiodes with associated readout are in the state of the art; vertical structures alternating layers of differently doped materials and/or of different semiconductors can be produced by the same technique. The development of large area pixel detectors is technically feasible but requires a very large effort. A joint development effort with industries involved in X-ray detection and 2D photodetectors might be the most appropriate solution. (orig.)

Performance comparison between crystalline and co-amorphous salts of indomethacin-lysine

DEFF Research Database (Denmark)

Kasten, Georgia; Nouri, Khatera; Grohganz, Holger

2017-01-01

The introduction of a highly water soluble amino acid as co-amorphous co-former has previously been shown to significantly improve the dissolution rate of poorly water soluble drugs. In this work, dry ball milling (DBM) and liquid assisted grinding (LAG) were used to prepare different physical...... forms of salts of indomethacin (IND) with the amino acid lysine (LYS), allowing the direct comparison of their solid-state properties to their in vitro performance. X-ray powder diffraction and Fourier-transformed infrared spectroscopy showed that DBM experiments led to the formation of a fully co......-amorphous salt, while LAG resulted in a crystalline salt. Differential scanning calorimetry showed that the samples prepared by DBM had a single glass transition temperature (Tg) of approx. 100°C for the co-amorphous salt, while a new melting point (223°C) was obtained for the crystalline salt prepared by LAG...

Impact of amorphization on the electronic properties of Zn–Ir–O systems

International Nuclear Information System (INIS)

Muñoz Ramo, David; Bristowe, Paul D

2016-01-01

We analyze the geometry and electronic structure of a series of amorphous Zn–Ir–O systems using classical molecular dynamics followed by density functional theory taking into account two different charge states of Ir (+3 and  +4). The structures obtained consist of a matrix of interconnected metal-oxygen polyhedra, with Zn adopting preferentially a coordination of 4 and Ir a mixture of coordinations between 4 and 6 that depend on the charge state of Ir and its concentration. The amorphous phases display reduced band gaps compared to crystalline ZnIr 2 O 4 and exhibit localized states near the band edges, which harm their transparency and hole mobility. Increasing amounts of Ir in the Ir 4+  phases decrease the band gap further while not altering it significantly in the Ir 3+ phases. The results are consistent with recent transmittance and resistivity measurements. (paper)

Minor-Cu doped soft magnetic Fe-based FeCoBCSiCu amorphous alloys with high saturation magnetization

Science.gov (United States)

Li, Yanhui; Wang, Zhenmin; Zhang, Wei

2018-05-01

The effects of Cu alloying on the amorphous-forming ability (AFA) and magnetic properties of the P-free Fe81Co5B11C2Si1 amorphous alloy were investigated. Addition of ≤ 1.0 at.% Cu enhances the AFA of the base alloy without significant deterioration of the soft magnetic properties. The Fe80.5Co5B11C2Si1Cu0.5 alloy with the largest critical thickness for amorphous formation of ˜35 μm possesses a high saturation magnetization (Bs) of ˜1.78 T, low coercivity of ˜14.6 A/m, and good bending ductility upon annealing in a wide temperature range of 513-553 K with maintaining the amorphous state. The fabrication of the new high-Fe-content Fe-Co-B-C-Si-Cu amorphous alloys by minor doping of Cu gives a guideline to developing high Bs amorphous alloys with excellent AFA.

Irradiation-induced amorphization of Cd2Nb2O7 pyrochlore

International Nuclear Information System (INIS)

Meldrum, A.; White, C. W.; Keppens, V.; Boatner, L. A.; Ewing, R. C.

2001-01-01

Several investigations have recently been undertaken in order to achieve a more complete understanding of the radiation-damage mechanisms in A 2 B 2 O 7 pyrochlore-structure compounds. The present work represents the first systematic study of the irradiation-induced amorphization of a pyrochlore with A- and B-site cation valences of +2 and +5, respectively. Relatively large single crystals of Cd 2 Nb 2 O 7 were grown for these experiments. In situ ion-irradiation experiments were carried out in a transmission electron microscope in conjunction with ex situ Rutherford backscattering measurements of ion-irradiated Cd 2 Nb 2 O 7 single crystals. Cd 2 Nb 2 O 7 can be amorphized in situ by Ne or Xe ions at temperatures up to 480 and 620 K, respectively. At room temperature, the amorphization fluence was 36 times higher for 280 keV Ne + than for 1200 keV Xe 2+ , corresponding to a displacement dose that was higher by a factor of 3. Disordering of Cd and Nb over the available cation sites occurs at intermediate ion doses prior to amorphization. The temperature dependence of the amorphization dose is modeled, and the results are compared to those of a previous model. The bulk-sample Rutherford backscattering spectroscopy (RBS) results were generally consistent with the in situ TEM measurements. Effects of crystallographic orientation and ion charge state had relatively little effect on the damage accumulation in bulk crystals. The RBS data are consistent with a defect-accumulation, cascade-overlap model of amorphization of Cd 2 Nb 2 O 7 , as are the in situ TEM observations

Computer simulations of disordering and amorphization kinetics in intermetallic compounds

International Nuclear Information System (INIS)

Spaczer, M.; Victoria, M.

1995-01-01

Molecular dynamics computer simulations on three intermetallic compounds, Cu 3 Au, Ni 3 Al and NiAl, have been performed to investigate the kinetics of the disordering and amorphization processes. These systems were chosen because reliable embedded atom potentials were developed for the constituent species and their alloys, and also because extended experimental results are available for them. Previous simulations of collision cascades with 5 keV Cu and Ni primary knock-out atom (PKA) showed a significant difference between the evolution of the short range order (SRO) and the crystalline order (CO) parameters in all of the intermetallics: a complete loss of the crystalline structure and only partial chemical disorder in the core of the cascade [T. Diaz de la Rubia et al., Phys. Rev. B 47 (1993) 11483; M. Spaczer et al., Phys. Rev. B 50 (1994) 13204]. The present paper deals with the simulation of the amorphization process in NiAl by 5 and 15 keV Ni PKAs. The kinetic energy of the atoms in the simulated systems was removed on different time scales to mimic strong or weak coupling between electrons and phonons. No evidence of amorphization was found at the end of the cascades created by the 5 keV recoils. However, the 15 keV PKA events showed that (i) in the no-coupling case the system evolved to a highly disordered state, (ii) an amorphous region with about 100 non-lattice atoms was found in the case of weak coupling, (iii) the locally melted and recrystallized region collapsed to a small dislocation loop when medium coupling was used and (iv) a highly ordered state resulted in the case of strong coupling. (orig.)

The optical behavior of amorphous microribbons for hydroxy-naphthol based Schiff bases

Energy Technology Data Exchange (ETDEWEB)

Shen, Ping; Liu, Chunlin; Yang, Wei; Liu, Xuan; Du, Jinya [College of Biological and Pharmaceutical Science, China Three Gorges University, Yichang 443002 (China); Liu, Yi [College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072 (China); Yang, Changying, E-mail: changying.yang@ctgu.edu.cn [College of Biological and Pharmaceutical Science, China Three Gorges University, Yichang 443002 (China)

2017-05-15

The optical behaviors of three hydroxy-naphthol based Schiff bases, L1, L2 and L3, in aggregated states in 1,4-dioxane (Diox) – H{sub 2}O mixture, were investigated. The intermolecular hydrogen bond between luminogen and water resulted in the twisting of benzothiazole group, which is favorable for the assembly of organic molecules into J-aggregates. And also a bathochromic shift in absorption and enhancement of the fluorescence emission (aggregation-induced enhanced emission, AIEE) can be observed. L1 and L2 in Diox-H{sub 2}O mixture with water volume fractions (f{sub w}) 95% assembled into microribbons with 40–50 nm thickness, twisted together to make amorphous supramolecular organogels. Whereas L3 assembled into needle-like nanorods with the thickness up to ~200 nm, consistence with its lower emission intensity compared to L1, L2 aggregates. Moreover, a drastic blue-shift and an enhancement of emission efficiency of L1-L3 were also observed in solid states with the morphology change from the crystalline to the amorphous state by grinding. It was found that L1 aggregates showed fluorescence switch-off sensing towards Cu{sup 2+}, with higher selectivity and sensitivity compared to L1 in Diox solution. - Graphical abstract: Three Schiff bases derivatives, L1, L2 and L3, consisting of hydroxy-naphthol and thiazole group, exhibited AIEE effect in Diox-H{sub 2}O mixture with f{sub w} 95% (for L1 and L2) or 99% (for L3). The formation of amorphous nanoparticles is advantageous for emission enhancement. The drastic blue-shift and an enhancement of emission efficiency were also observed in L1-L3 with the morphology change from the crystalline to the amorphous state in solid by grinding. It was found that L1 AIEE system could be constructed as a chemoprobe towards Cu{sup 2+} fluorescence recognition, with higher selectivity and sensitivity compared to L1 in Diox solution.

Development of amorphous and nanocrystalline Al65Cu35-xZrx alloys by mechanical alloying

International Nuclear Information System (INIS)

Manna, I.; Chattopadhyay, P.P.; Banhart, F.; Fecht, H.J.

2004-01-01

Mechanical alloying of Al 65 Cu 35-x Zr x (x=5, 15 and 25 at.% Zr) elemental powder blends by planetary ball milling up to 50 h yields amorphous and/or nanocrystalline products. Microstructure of the milled product at different stages of milling has been characterized by X-ray diffraction, (XRD) high-resolution transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy (EDS). Among the different alloys synthesized by mechanical alloying, Al 65 Cu 20 Zr 15 yields a predominantly amorphous product, while the other two alloys develop a composite microstructure comprising nanocrystalline and amorphous solid solutions in Al 65 Cu 10 Zr 25 and nano-intermetallic phase/compound in Al 65 Cu 30 Zr 5 , respectively. The genesis of solid-state amorphization in Al 65 Cu 20 Zr 15 and Al 65 Cu 10 Zr 25 is investigated

Model for amorphous aggregation processes

Science.gov (United States)

Stranks, Samuel D.; Ecroyd, Heath; van Sluyter, Steven; Waters, Elizabeth J.; Carver, John A.; von Smekal, Lorenz

2009-11-01

The amorphous aggregation of proteins is associated with many phenomena, ranging from the formation of protein wine haze to the development of cataract in the eye lens and the precipitation of recombinant proteins during their expression and purification. While much literature exists describing models for linear protein aggregation, such as amyloid fibril formation, there are few reports of models which address amorphous aggregation. Here, we propose a model to describe the amorphous aggregation of proteins which is also more widely applicable to other situations where a similar process occurs, such as in the formation of colloids and nanoclusters. As first applications of the model, we have tested it against experimental turbidimetry data of three proteins relevant to the wine industry and biochemistry, namely, thaumatin, a thaumatinlike protein, and α -lactalbumin. The model is very robust and describes amorphous experimental data to a high degree of accuracy. Details about the aggregation process, such as shape parameters of the aggregates and rate constants, can also be extracted.

Magnetic and magnetocaloric properties of amorphous Y{sub 3}Fe{sub 5}O{sub 12} compound

Energy Technology Data Exchange (ETDEWEB)

Nóbrega, E.P., E-mail: pilad@cbpf.br; Costa, S.S.; Alvarenga, T.S.T.; Alho, B.P.; Caldas, A.; Ribeiro, P.O.; Sousa, V.S.R de; Oliveira, N.A. de; Ranke, P.J. von

2017-01-15

We report a theoretical model formed by two coupled magnetic sublattices of localized spins in the presence of an applied magnetic field to investigate the magnetic characteristics and magnetocaloric properties of amorphous yttrium iron garnet. The magnetic state equation is based on Handrich–Kobe´s theory, where the amorphization is taken into account by introducing fluctuations in the exchange parameters. Experimental results report that Y{sub 3}Fe{sub 5}O{sub 12} presents a structural phase transition from crystalline to amorphous caused by a variation of external pressure. This phase transition on Y{sub 3}Fe{sub 5}O{sub 12} leads to interesting results in the magnetic properties and magnetocaloric quantities. - Highlights: • Study of magnetic and magnetocaloric properties of amorphous Y{sub 3}Fe{sub 5}O{sub 12} compound. • Theoretical model formed by two coupled magnetic sublattices of localized spins in the presence of an applied magnetic field. • The influence of crystalline/amorphous transition on the magnetocaloric effect.

First-principles study of crystalline and amorphous AlMgB{sub 14}-based materials

Energy Technology Data Exchange (ETDEWEB)

Ivashchenko, V. I.; Shevchenko, V. I., E-mail: shev@materials.kiev.ua [Institute of Problems of Material Science, National Academy of Science of Ukraine, Krzhyzhanosky Str. 3, 03142 Kyiv (Ukraine); Turchi, P. E. A. [Lawrence Livermore National Laboratory (L-352), P.O. Box 808, Livermore, California 94551 (United States); Veprek, S. [Department of Chemistry, Technical University Munich, Lichtenbergstrasse 4, D-85747 Garching (Germany); Leszczynski, Jerzy [Department of Chemistry and Biochemistry, Interdisciplinary Center for Nanotoxicity, Jackson State University, Jackson, Mississippi 39217 (United States); Gorb, Leonid [Department of Chemistry and Biochemistry, Interdisciplinary Center for Nanotoxicity, Jackson State University, Jackson, Mississippi 39217 (United States); Badger Technical Services, LLC, Vicksburg, Mississippi 39180 (United States); Hill, Frances [U.S. Army ERDC, Vicksburg, Mississippi 39180 (United States)

2016-05-28

We report first-principles investigations of crystalline and amorphous boron and M1{sub x}M2{sub y}X{sub z}B{sub 14−z} (M1, M2 = Al, Mg, Li, Na, Y; X = Ti, C, Si) phases (so-called “BAM” materials). Phase stability is analyzed in terms of formation energy and dynamical stability. The atomic configurations as well as the electronic and phonon density states of these phases are compared. Amorphous boron consists of distorted icosahedra, icosahedron fragments, and dioctahedra, connected by an amorphous network. The presence of metal atoms in amorphous BAM materials precludes the formation of icosahedra. For all the amorphous structures considered here, the Fermi level is located in the mobility gap independent of the number of valence electrons. The intra-icosahedral vibrations are localized in the range of 800 cm{sup −1}, whereas the inter-icosahedral vibrations appear at higher wavenumbers. The amorphization leads to an enhancement of the vibrations in the range of 1100–1250 cm{sup −1}. The mechanical properties of BAM materials are investigated at equilibrium and under shear and tensile strain. The anisotropy of the ideal shear and tensile strengths is explained in terms of a layered structure of the B{sub 12} units. The strength of amorphous BAM materials is lower than that of the crystalline counterparts because of the partial fragmentation of the boron icosahedra in amorphous structures. The strength enhancement found experimentally for amorphous boron-based films is very likely related to an increase in film density, and the presence of oxygen impurities. For crystalline BAM materials, the icosahedra are preserved during elongation upon tension as well as upon shear in the (010)[100] slip system.

Superplasticity of amorphous alloy

International Nuclear Information System (INIS)

Levin, Yu.B.; Likhachev, V.L.; Sen'kov, O.N.

1988-01-01

Results of mechanical tests of Co 57 Ni 10 Fe 5 Si 11 B 17 amorphous alloy are presented and the effect of crystallization, occurring during deformation process, on plastic low characteristics is investiagted. Superplasticity of amorphous tape is investigated. It is shown, that this effect occurs only when during deformation the crystallization takes place. Process model, based on the usage disclination concepts about glass nature, is suggested

Continuous amorphization of Cu-Zr studied by positron lifetime

International Nuclear Information System (INIS)

Wilde, G.; Wuerschum, R.; Rabitsch, H.; Puff, W.

2006-01-01

Full text: Solid state amorphization by cold-rolling represents an attractive alternative to commonly used ball-milling. The present work aimed at a free volume study of the process of amorphization. To study the amorphization process binary Cu-Zr alloys were mechanically intermixed by cold rolling. Foils of pure Cu and Zr were stacked to form arrays of composition Cu 60 Zr 40 and folded four times. The folded samples were rolled at a strain rate of approximately 0.1 s -1 to a thickness of about 80 μm and then folded to double the thickness and rolled again to a minimum thickness of 80 μm. This procedure was repeated until the final material was cold-rolled for up to 80 passes. The microstructural changes during cold-rolling were investigated at different stages of the mechanical intermixing process by positron lifetime and 2-dimensional Doppler broadening measurements. The obtained Doppler results are discussed analysing the S-W-plot as well as a two-component fit and the shape of the ratio curves. Finally the results are compared to the lifetime results. (author)

Inhibition of Recrystallization of Amorphous Lactose in Nanocomposites Formed by Spray-Drying.

Science.gov (United States)

Hellrup, Joel; Alderborn, Göran; Mahlin, Denny

2015-11-01

This study aims at investigating the recrystallization of amorphous lactose in nanocomposites. In particular, the focus is on the influence of the nano- to micrometer length scale nanofiller arrangement on the amorphous to crystalline transition. Further, the relative significance of formulation composition and manufacturing process parameters for the properties of the nanocomposite was investigated. Nanocomposites of amorphous lactose and fumed silica were produced by co-spray-drying. Solid-state transformation of the lactose was studied at 43%, 84%, and 94% relative humidity using X-ray powder diffraction and microcalorimetry. Design of experiments was used to analyze spray-drying process parameters and nanocomposite composition as factors influencing the time to 50% recrystallization. The spray-drying process parameters showed no significant influence. However, the recrystallization of the lactose in the nanocomposites was affected by the composition (fraction silica). The recrystallization rate constant decreased as a function of silica content. The lowered recrystallization rate of the lactose in the nanocomposites could be explained by three mechanisms: (1) separation of the amorphous lactose into discrete compartments on a micrometer length scale (compartmentalization), (2) lowered molecular mobility caused by molecular interactions between the lactose molecules and the surface of the silica (rigidification), and/or (3) intraparticle confinement of the amorphous lactose. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

Amorphous silicon ionizing particle detectors

Science.gov (United States)

Street, Robert A.; Mendez, Victor P.; Kaplan, Selig N.

1988-01-01

Amorphous silicon ionizing particle detectors having a hydrogenated amorphous silicon (a--Si:H) thin film deposited via plasma assisted chemical vapor deposition techniques are utilized to detect the presence, position and counting of high energy ionizing particles, such as electrons, x-rays, alpha particles, beta particles and gamma radiation.

Emerging trends in the stabilization of amorphous drugs.

Science.gov (United States)

Laitinen, Riikka; Löbmann, Korbinian; Strachan, Clare J; Grohganz, Holger; Rades, Thomas

2013-08-30

The number of active pharmaceutical substances having high therapeutic potential but low water solubility is constantly increasing, making it difficult to formulate these compounds as oral dosage forms. The solubility and dissolution rate, and thus potentially the bioavailability, of these poorly water-soluble drugs can be increased by the formation of stabilized amorphous forms. Currently, formulation as solid polymer dispersions is the preferred method to enhance drug dissolution and to stabilize the amorphous form of a drug. The purpose of this review is to highlight emerging alternative methods to amorphous polymer dispersions for stabilizing the amorphous form of drugs. First, an overview of the properties and stabilization mechanisms of amorphous forms is provided. Subsequently, formulation approaches such as the preparation of co-amorphous small-molecule mixtures and the use of mesoporous silicon and silica-based carriers are presented as potential means to increase the stability of amorphous pharmaceuticals. Copyright © 2012 Elsevier B.V. All rights reserved.

Amorphous chalcogenide semiconductors for solid state dosimetric systems of high-energetic ionizing radiation

International Nuclear Information System (INIS)

Shpotyuk, O.

1997-01-01

The application possibilities of amorphous chalcogenide semiconductors use as radiation-sensitive elements of high-energetic (E > 1 MeV) dosimetric systems are analysed. It is shown that investigated materials are characterized by more wide region of registered absorbed doses and low temperature threshold of radiation information bleaching in comparison with well-known analogies based on coloring oxide glasses. (author)

X-ray absorption study of the electronic structure of Mn-doped amorphous Si

Energy Technology Data Exchange (ETDEWEB)

Arenholz, Elke; Zeng, Li; Huegel, A.; Helgren, E.; Hellman, F.; Piamonteze, C.; Arenholz, E.

2008-03-08

The electronic structure of Mn in amorphous Si (a-Mn{sub x}Si{sub 1?x}) is studied by X-ray absorption spectroscopy at the Mn L{sub 3,2} edges for x = 0.005-0.18. Except the x = 0.005 sample, which shows a slight signature of Mn{sup 2+} atomic multiplets associated with a local Mn moment, all samples have broad and featureless L{sub 3,2} absorption peaks, corresponding to an itinerant state for all 3d electrons. The broad X-ray absorption spectra exclude the possibility of a localized 3d moment and explain the unexpectedly quenched Mn moment in this magnetically-doped amorphous semiconductor. Such a fully delocalized d state of Mn dopant in Si has not been previously suggested.

Relaxation and crystallization of amorphous carbamazepine studied by terahertz pulsed spectroscopy

DEFF Research Database (Denmark)

Zeitler, J Axel; Taday, Philip F; Pepper, Michael

2007-01-01

At the example of carbamazepine the crystallization of a small organic molecule from its amorphous phase was studied using in situ variable temperature terahertz pulsed spectroscopy (TPS). Even though terahertz spectra of disordered materials in the glassy state exhibit no distinct spectral featu...

Operating method of amorphous thin film semiconductor element

Energy Technology Data Exchange (ETDEWEB)

Mori, Koshiro; Ono, Masaharu; Hanabusa, Akira; Osawa, Michio; Arita, Takashi

1988-05-31

The existing technologies concerning amorphous thin film semiconductor elements are the technologies concerning the formation of either a thin film transistor or an amorphous Si solar cell on a substrate. In order to drive a thin film transistor for electronic equipment control by the output power of an amorphous Si solar cell, it has been obliged to drive the transistor weth an amorphous solar cell which was formed on a substrate different from that for the transistor. Accordingly, the space for the amorphous solar cell, which was formed on the different substrate, was additionally needed on the substrate for the thin film transistor. In order to solve the above problem, this invention proposes an operating method of an amorphous thin film semiconductor element that after forming an amorphous Si solar cell through lamination on the insulation coating film which covers the thin film transistor formed on the substrate, the thin film transistor is driven by the output power of this solar cell. The invention eliminates the above superfluous space and reduces the size of the amorphous thin film semiconductor element including the electric source. (3 figs)

Enhanced photoconductivity by melt quenching method for amorphous organic photorefractive materials

Science.gov (United States)

Tsujimura, S.; Fujihara, T.; Sassa, T.; Kinashi, K.; Sakai, W.; Ishibashi, K.; Tsutsumi, N.

2014-10-01

For many optical semiconductor fields of study, the high photoconductivity of amorphous organic semiconductors has strongly been desired, because they make the manufacture of high-performance devices easy when controlling charge carrier transport and trapping is otherwise difficult. This study focuses on the correlation between photoconductivity and bulk state in amorphous organic photorefractive materials to probe the nature of the performance of photoconductivity and to enhance the response time and diffraction efficiency of photorefractivity. The general cooling processes of the quenching method achieved enhanced photoconductivity and a decreased filling rate for shallow traps. Therefore, sample processing, which was quenching in the present case, for photorefractive composites significantly relates to enhanced photorefractivity.

Structure and density for As23Se67Ge10 amorphous films

International Nuclear Information System (INIS)

Shchurova, T.N.; Savchenko, N.D.

1999-01-01

The effect of thermal annealing and argon laser irradiation on structure and volume for thin amorphous As 23 Se 67 Ge 10 films deposited by thermal evaporation has been investigated. The short-range structure for the annealed films has been found to be more ordered as compared to the irradiated films. The decrease in film volume under thermal annealing and its increase under laser irradiation have been shown. The changes in film volume have been discussed in the context of non-ergodic model for the amorphous state equilibrium taking into account forces acting from the substrate

The Taxonomy of Blue Amorphous Galaxies. I. Hα and UBVI Data

Science.gov (United States)

Marlowe, Amanda T.; Meurer, Gerhardt R.; Heckman, Timothy M.; Schommer, Robert

1997-10-01

Dwarf galaxies play an important role in our understanding of galaxy formation and evolution. We have embarked on a systematic study of 12 nearby dwarf galaxies (most of which have been classified as amorphous) selected preferentially by their blue colors. The properties of the galaxies in the sample suggest that they are in a burst or postburst state. It seems likely that these amorphous galaxies are closely related to other ``starburst'' dwarfs such as blue compact dwarfs (BCDs) and H II galaxies but are considerably closer and therefore easier to study. If so, these galaxies may offer important insights into dwarf galaxy evolution. In an effort to clarify the role of starbursts in evolutionary scenarios for dwarf galaxies, we present Hα and UBVI data for our sample. Blue amorphous galaxies, like BCDs and H II galaxies, have surface brightness profiles that are exponential in the outer regions (r >~ 1.5re) but have a predominantly blue central excess, which suggests a young burst in an older, redder galaxy. Seven of the galaxies have the bubble or filamentary Hα morphology and double-peaked emission lines that are the signature of superbubbles or superwind activity. These galaxies are typically the ones with the strongest central excesses. The underlying exponential galaxies are very similar to those found in BCDs and H II galaxies. How amorphous galaxies fit into the dwarf irregular-``starburst dwarf''-dwarf elliptical evolutionary debate is less clear. In this paper, we present our data and make some preliminary comparisons between amorphous galaxies and other classes of dwarf galaxies. In a future companion paper, we will compare this sample more quantitatively with other dwarf galaxy samples in an effort to determine if amorphous galaxies are a physically different class of object from other starburst dwarfs such as BCDs and H II galaxies and also investigate their place in dwarf galaxy evolution scenarios.

Neutron irradiation induced amorphization of silicon carbide

International Nuclear Information System (INIS)

Snead, L.L.; Hay, J.C.

1998-01-01

This paper provides the first known observation of silicon carbide fully amorphized under neutron irradiation. Both high purity single crystal hcp and high purity, highly faulted (cubic) chemically vapor deposited (CVD) SiC were irradiated at approximately 60 C to a total fast neutron fluence of 2.6 x 10 25 n/m 2 . Amorphization was seen in both materials, as evidenced by TEM, electron diffraction, and x-ray diffraction techniques. Physical properties for the amorphized single crystal material are reported including large changes in density (-10.8%), elastic modulus as measured using a nanoindentation technique (-45%), hardness as measured by nanoindentation (-45%), and standard Vickers hardness (-24%). Similar property changes are observed for the critical temperature for amorphization at this neutron dose and flux, above which amorphization is not possible, is estimated to be greater than 130 C

Salt Fog Testing Iron-Based Amorphous Alloys

International Nuclear Information System (INIS)

Rebak, Raul B.; Aprigliano, Louis F.; Day, S. Daniel; Farmer, Joseph C.

2007-01-01

Iron-based amorphous alloys are hard and highly corrosion resistant, which make them desirable for salt water and other applications. These alloys can be produced as powder and can be deposited as coatings on any surface that needs to be protected from the environment. It was of interest to examine the behavior of these amorphous alloys in the standard salt-fog testing ASTM B 117. Three different amorphous coating compositions were deposited on 316L SS coupons and exposed for many cycles of the salt fog test. Other common engineering alloys such as 1018 carbon steel, 316L SS and Hastelloy C-22 were also tested together with the amorphous coatings. Results show that amorphous coatings are resistant to rusting in salt fog. Partial devitrification may be responsible for isolated rust spots in one of the coatings. (authors)

Amorphous chalcogenide semiconductors for solid state dosimetric systems of high-energetic ionizing radiation

Energy Technology Data Exchange (ETDEWEB)

Shpotyuk, O. [Pedagogical University, Czestochowa (Poland)]|[Institute of Materials, Lvov (Ukraine)

1997-12-31

The application possibilities of amorphous chalcogenide semiconductors use as radiation-sensitive elements of high-energetic (E > 1 MeV) dosimetric systems are analysed. It is shown that investigated materials are characterized by more wide region of registered absorbed doses and low temperature threshold of radiation information bleaching in comparison with well-known analogies based on coloring oxide glasses. (author). 16 refs, 1 tab.

Effects of the amorphization on hysteresis loops of the amorphous spin-1/2 Ising system

International Nuclear Information System (INIS)

Essaoudi, I.; Ainane, A.; Saber, M.; Miguel, J.J. de

2009-01-01

We examine the effects of the amorphization on the hysteresis loops of the amorphous spin-1/2 Ising system using the effective field theory within a probability distribution technique that accounts for the self-spin correlation functions. The magnetization, the transverse and longitudinal susceptibilities, and pyromagnetic coefficient are also studied in detail

Amorphous Metallic Alloys: Pathways for Enhanced Wear and Corrosion Resistance

Science.gov (United States)

Aditya, Ayyagari; Felix Wu, H.; Arora, Harpreet; Mukherjee, Sundeep

2017-11-01

Amorphous metallic alloys are widely used in bulk form and as coatings for their desirable corrosion and wear behavior. Nevertheless, the effects of heat treatment and thermal cycling on these surface properties are not well understood. In this study, the corrosion and wear behavior of two Zr-based bulk metallic glasses were evaluated in as-cast and thermally relaxed states. Significant improvement in wear rate, friction coefficient, and corrosion penetration rate was seen for both alloys after thermal relaxation. A fully amorphous structure was retained with thermal relaxation below the glass transition. There was an increase in surface hardness and elastic modulus for both alloys after relaxation. The improvement in surface properties was explained based on annihilation of free volume.

Low-temperature crystallization of amorphous silicon and amorphous germanium by soft X-ray irradiation

Energy Technology Data Exchange (ETDEWEB)

Heya, Akira, E-mail: heya@eng.u-hyogo.ac.jp [Department of Materials Science and Chemistry, University of Hyogo, 2167 Shosha, Himeji, Hyogo 671–2280 (Japan); Kanda, Kazuhiro [Laboratory of Advanced Science and Technology for Industry (LASTI), University of Hyogo, 3-2-1 Koto, Kamigori, Hyogo 678–1205 (Japan); Toko, Kaoru; Sadoh, Taizoh [Department of Electronics, Kyushu University, 744 Nishi-ku, Motooka, Fukuoka 819–0395 (Japan); Amano, Sho [Laboratory of Advanced Science and Technology for Industry (LASTI), University of Hyogo, 3-2-1 Koto, Kamigori, Hyogo 678–1205 (Japan); Matsuo, Naoto [Department of Materials Science and Chemistry, University of Hyogo, 2167 Shosha, Himeji, Hyogo 671–2280 (Japan); Miyamoto, Shuji [Laboratory of Advanced Science and Technology for Industry (LASTI), University of Hyogo, 3-2-1 Koto, Kamigori, Hyogo 678–1205 (Japan); Miyao, Masanobu [Department of Electronics, Kyushu University, 744 Nishi-ku, Motooka, Fukuoka 819–0395 (Japan); Mochizuki, Takayasu [Laboratory of Advanced Science and Technology for Industry (LASTI), University of Hyogo, 3-2-1 Koto, Kamigori, Hyogo 678–1205 (Japan)

2013-05-01

The low-temperature-crystallization effects of soft X-ray irradiation on the structural properties of amorphous Si and amorphous Ge films were investigated. From the differences in crystallization between Si and Ge, it was found that the effects of soft X-ray irradiation on the crystallization strongly depended on the energy band gap and energy level. The crystallization temperatures of the amorphous Si and amorphous Ge films decreased from 953 K to 853 K and 773 K to 663 K, respectively. The decrease in crystallization temperature was also related to atoms transitioning into a quasi-nucleic phase in the films. The ratio of electron excitation and migration effects to thermal effects was controlled using the storage-ring current (photon flux density). Therefore, we believe that low-temperature crystallization can be realized by controlling atomic migration through electron excitation. - Highlights: • This work investigates the crystallization mechanism for soft X-ray irradiation. • The soft X-ray crystallization depended on the energy band gap and energy level. • The decrease in the crystallization temperature for Si and Ge films was 100 K. • This decrement was related to atoms transitioning into a quasi-nucleic phase.

Characteristics of RuO2-SnO2 nanocrystalline-embedded amorphous electrode for thin film microsupercapacitors

International Nuclear Information System (INIS)

Kim, Han-Ki; Choi, Sun-Hee; Yoon, Young Soo; Chang, Sung-Yong; Ok, Young-Woo; Seong, Tae-Yeon

2005-01-01

The characteristics of RuO 2 -SnO 2 nanocrystalline-embedded amorphous electrode, grown by DC reactive sputtering, was investigated. X-ray diffraction (XRD), transmission electron microscopy (TEM), and transmission electron diffraction (TED) examination results showed that Sn and Ru metal cosputtered electrode in O 2 /Ar ambient have RuO 2 -SnO 2 nanocrystallines in an amorphous oxide matrix. It is shown that the cyclic voltammorgram (CV) result of the RuO 2 -SnO 2 nanocrystalline-embedded amorphous film in 0.5 M H 2 SO 4 liquid electrolyte is similar to a bulk-type supercapacitor behavior with a specific capacitance of 62.2 mF/cm 2 μm. This suggests that the RuO 2 -SnO 2 nanocrystalline-embedded amorphous film can be employed in hybrid all-solid state energy storage devises as an electrode of supercapacitor

Magnetic and anomalous magnetic viscosity in the bulk amorphous ferromagnet Pr58Fe24Al18 and partially amorphous ferromagnet Pr60Fe24Al16

International Nuclear Information System (INIS)

Collocott, S.J.; Dunlop, J.B.

2009-01-01

A number of ferromagnetic Pr-Fe-Al alloys have been prepared by argon arc melting and quenching into a copper mould. The alloy of composition Pr 58 Fe 24 Al 18 is identified as being amorphous (bulk metallic glass or bulk amorphous ferromagnet), and a range of magnetic measurements have been performed to explore differences and similarities between it and a partially amorphous alloy, containing a significant crystalline fraction, Pr 60 Fe 24 Al 16 . For both alloys, measurements of the irreversible susceptibility, and magnetic viscosity on the major hysteresis loop are reported. From the magnetic viscosity data, the fluctuation field is determined. The behaviour of the anomalous magnetic viscosity (non-monotonic behaviour of the magnetic viscosity, where the magnetisation as a function of time is seen to increase, reach a peak, and then decrease), on the recoil curve that leads to the dc demagnetised state is investigated. Both alloys display non-monotonic behaviour. After dc demagnetisation, spontaneous remagnetisation is observed in both alloys, and some comments are made on the thermal remagnetisation behaviour of the amorphous alloy. The anomalous magnetic viscosity is interpreted in the context of the Preisach model, as it predicts a simple functional relationship between the time taken to reach a peak and the applied magnetic field. The experimental data for both alloys is in good agreement with this prediction.

Magnetomechanical coupling in thermal amorphous solids

Science.gov (United States)

Hentschel, H. George E.; Ilyin, Valery; Mondal, Chandana; Procaccia, Itamar

2018-05-01

Standard approaches to magnetomechanical interactions in thermal magnetic crystalline solids involve Landau functionals in which the lattice anisotropy and the resulting magnetization easy axes are taken explicitly into account. In glassy systems one needs to develop a theory in which the amorphous structure precludes the existence of an easy axis, and in which the constituent particles are free to respond to their local amorphous surroundings and the resulting forces. We present a theory of all the mixed responses of an amorphous solid to mechanical strains and magnetic fields. Atomistic models are proposed in which we test the predictions of magnetostriction for both bulk and nanofilm amorphous samples in the paramagnetic phase. The application to nanofilms with emergent self-affine free interfaces requires a careful definition of the film "width" and its change due to the magnetostriction effect.

Mechanism for hydrogen diffusion in amorphous silicon

International Nuclear Information System (INIS)

Biswas, R.; Li, Q.; Pan, B.C.; Yoon, Y.

1998-01-01

Tight-binding molecular-dynamics calculations reveal a mechanism for hydrogen diffusion in hydrogenated amorphous silicon. Hydrogen diffuses through the network by successively bonding with nearby silicons and breaking their Si endash Si bonds. The diffusing hydrogen carries with it a newly created dangling bond. These intermediate transporting states are densely populated in the network, have lower energies than H at the center of stretched Si endash Si bonds, and can play a crucial role in hydrogen diffusion. copyright 1998 The American Physical Society

Methods of quantum chemistry and nanotechnology as applied to the study of the energy states of amorphous tetrahedral structures

Directory of Open Access Journals (Sweden)

B. A. Golodenko

2013-01-01

Full Text Available The technique and results of an experimental research of power conditions of amorphous alloy hydrogenated carbide silicon is described. Application of power spectra of a silicon valence zone for definition phase structure of its amorphous hydrogenated carbide is shown. Quantitative dependence of a share carbide phases of silicon in structure of its alloy from the maintenance of methane in an initial gas mix is established.

Photoluminescence properties of BaMoO4 amorphous thin films

International Nuclear Information System (INIS)

Marques, Ana Paula Azevedo; Melo, Dulce M.A. de; Longo, Elson; Paskocimas, Carlos A.; Pizani, Paulo S.; Leite, Edson R.

2005-01-01

BaMoO 4 amorphous and crystalline thin films were prepared from polymeric precursors. The BaMoO 4 was deposited onto Si wafers by means of the spinning technique. The structure and optical properties of the resulting films were characterized by FTIR reflectance spectra, X-ray diffraction (XRD), atomic force microscopy (AFM) and optical reflectance. The bond Mo-O present in BaMoO 4 was confirmed by FTIR reflectance spectra. XRD characterization showed that thin films heat-treated at 600 and 200 deg. C presented the scheelite-type crystalline phase and amorphous, respectively. AFM analyses showed a considerable variation in surface morphology by comparing samples heat-treated at 200 and 600 deg. C. The reflectivity spectra showed two bands, positioned at 3.38 and 4.37 eV that were attributed to the excitonic state of Ba 2+ and electronic transitions within MoO 2- 4 , respectively. The optical band gaps of BaMoO 4 were 3.38 and 2.19 eV, for crystalline (600 deg. C/2 h) and amorphous (200 deg. C/8 h) films, respectively. The room-temperature luminescence spectra revealed an intense single-emission band in the visible region. The PL intensity of these materials was increased upon heat-treatment. The excellent optical properties observed for BaMoO 4 amorphous thin films suggested that this material is a highly promising candidate for photoluminescent applications

Amorphization kinetics of Zr3Fe under electron irradiation

International Nuclear Information System (INIS)

Motta, A.T.; Howe, L.M.; Okamoto, P.R.

1992-10-01

0.9 MeV electron irradiations were performed at 28--220 K in a high-voltage electron microscope (HVEM). By measuring onset, spread and final size of the amorphous region, factoring in the Guassian distribution of the beam, a kinetic description of the amorphization in terms of dose, dose rate and temperature was obtained. The critical temperature for amorphization by electron irradiation was found to be ∼220 K, compared to 570--625 K for 40 Ar ion irradiation. Also, the dose-to-amorphization increased exponentially with temperature. Results indicated that the rate of growth of the amorphous region under the electron beam decreased with increasing temperature and the does-to-amorphization decreased with increasing dose rate. The size of the amorphous region saturated after a region dose, the final size decreasing with increasing temperature, and it was argued that this is related to the existence of a critical dose rate, which increased with temperature, below which no amorphization occurred. The above observations can be understood in the framework of the kinetics of damage accumulation under irradiation

Molecular-dynamics study of amorphization by introduction of chemical disorder in crystalline NiZr2

International Nuclear Information System (INIS)

Massobrio, C.; Pontikis, V.; Martin, G.

1990-01-01

By means of constant-temperature, constant-pressure molecular dynamics, we investigate the crystal-to-amorphous transformation of the intermetallic alloy NiZr 2 resulting from the introduction of antisite defects. We constructed an n-body potential in the framework of the second-moment approximation of the tight-binding description of the electronic density of states. This modeling of the interatomic forces is successful in reproducing both static and thermodynamic properties of the real material. The imposition of chemical disorder quantified by the appropriate value of the long-range-order parameter, S, engenders a volume expansion followed by relaxation to a stationary state characterized by lower density and higher potential energy. The behavior of the pair distribution functions, g(r), reveals that amorphization takes place for values of S≤0.6, the corresponding volume expansion being of the order of 2%. Moreover the thermodynamic states obtained by chemical destabilization and rapid quenching from the liquid state are nearly identical. On the time scale of our simulations (10 -10 s), no detectable long-range diffusion of either species follows the introduction of chemical disorder. Some relevant features of the pair distribution functions (first and second peak positions, number of nearest neighbors) are in good agreement with those obtained experimentally from amorphous NiZr 2 samples generated by rapid quenching

High-pressure behavior of amorphous selenium from ultrasonic measurements and Raman spectroscopy

Energy Technology Data Exchange (ETDEWEB)

He, Z.; Liu, X. R.; Hong, S. M., E-mail: hpswjtu@gmail.com, E-mail: smhong@home.swjtu.edu.cn [Laboratory of High Pressure Physics, Southwest Jiaotong University, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Chengdu 610031 (China); Wang, Z. G. [National Key Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, Chinese Academy of Engineering Physics, Mianyang 621900 (China); Zhu, H. Y. [State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012 (China); Peng, J. P. [School of Physical Science and Technology, Southwest Jiaotong University, Chengdu 610031 (China)

2014-07-07

The high-pressure behavior of melt-quenched amorphous selenium (a-Se) has been investigated via ultrasonic measurements and Raman scattering at room temperature. The ultrasonic measurements were conducted on a-Se in a multi-anvil apparatus with two different sample assemblies at pressures of up to 4.5 and 4.8 GPa. We discovered that similar kinks occur in the slopes of the pressure dependence characteristics of the travel time and the sound velocity in both shear and longitudinal waves in the 2.0–2.5 GPa range. These kinks are independent of the sample assemblies, indicating an intrinsic transformation of the a-Se. Additionally, we deduced the pressure-volume relationship of a-Se from the sound velocity characteristics using the Birch–Murnaghan equation of state, and the results agreed well with those of previous reports. In situ high-pressure Raman scattering measurements of a-Se were conducted in a diamond anvil cell with an 830 nm excitation line up to a pressure of 4.3 GPa. We found that the characteristic band of a-Se at ∼250 cm{sup −1} experienced a smooth shift to a lower frequency with pressure, but a sharp slope change in the band intensity versus pressure occurred near 2.5 GPa. The results of X-ray diffraction and differential scanning calorimetry measurements indicate that the samples remain in their amorphous states after decompression. Thus, we proposed that the abnormal compression behavior of a-Se in the 2.0–2.5 GPa range can be attributed to pressure-induced local atomic reconfiguration, implying an amorphous-amorphous transition of the elementary selenium.

Hot Melt Extrusion and Spray Drying of Co-amorphous Indomethacin-Arginine With Polymers.

Science.gov (United States)

Lenz, Elisabeth; Löbmann, Korbinian; Rades, Thomas; Knop, Klaus; Kleinebudde, Peter

2017-01-01

Co-amorphous drug-amino acid systems have gained growing interest as an alternative to common amorphous formulations which contain polymers as stabilizers. Several preparation methods have recently been investigated, including vibrational ball milling on a laboratory scale or spray drying in a larger scale. In this study, the feasibility of hot melt extrusion for continuous manufacturing of co-amorphous drug-amino acid formulations was examined, challenging the fact that amino acids melt with degradation at high temperatures. Furthermore, the need for an addition of a polymer in this process was evaluated. After a polymer screening via the solvent evaporation method, co-amorphous indomethacin-arginine was prepared by a melting-solvent extrusion process without and with copovidone. The obtained products were characterized with respect to their solid-state properties, non-sink dissolution behavior, and stability. Results were compared to those of spray-dried formulations with the same compositions and to spray-dried indomethacin-copovidone. Overall, stable co-amorphous systems could be prepared by extrusion without or with copovidone, which exhibited comparable molecular interaction properties to the respective spray-dried products, while phase separation was detected by differential scanning calorimetry in several cases. The formulations containing indomethacin in combination with arginine and copovidone showed enhanced dissolution behavior over the formulations with only copovidone or arginine. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Amorphous silicon crystalline silicon heterojunction solar cells

CERN Document Server

Fahrner, Wolfgang Rainer

2013-01-01

Amorphous Silicon/Crystalline Silicon Solar Cells deals with some typical properties of heterojunction solar cells, such as their history, the properties and the challenges of the cells, some important measurement tools, some simulation programs and a brief survey of the state of the art, aiming to provide an initial framework in this field and serve as a ready reference for all those interested in the subject. This book helps to "fill in the blanks" on heterojunction solar cells. Readers will receive a comprehensive overview of the principles, structures, processing techniques and the current developmental states of the devices. Prof. Dr. Wolfgang R. Fahrner is a professor at the University of Hagen, Germany and Nanchang University, China.

Achievement report for fiscal 1991 on Sunshine Program-entrusted research and development. Research and development of amorphous silicon solar cells (Research on amorphous silicon interface); 1991 nendo amorphous silicon taiyo denchi no kenkyu kaihatsu seika hokokusho. Amorphous silicon no kaimen no kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1992-03-01

The amorphous solar cell interface has been under study for the enhancement of efficiency and reliability in amorphous solar cells, and this is the compilation of the results achieved in fiscal 1991. In the effort to enhance delta-doped amorphous silicon solar cell efficiency, an amorphous Si solar cell is built using a ZnO film as the transparent conductive film. As the result, an a-Si solar cell with a conversion efficiency of 11.5% is obtained. In the research on the suppression of photodegradation in a-Si, from the viewpoint that a reduction in the amount of hydrogen contained excessively in the film will be effective in decelerating photodegradation, a photoexcited hydrogen radical treatment method is newly proposed, and basic studies are conducted on it. As the result, it is found that an a-Si film processed by a 20-second hydrogen treatment at a substrate temperature of 460 degrees C exhibits a lower photodegradation rate than an ordinary a-Si film. In the research on the deposition of amorphous Si film, a VHF frequency is used instead of 13.56MHz for plasma, and an amorphous Si film is deposited efficiently at a lower voltage at which ions cause less damage. (NEDO)

Amorphous titanium-oxide supercapacitors

OpenAIRE

Fukuhara, Mikio; Kuroda, Tomoyuki; Hasegawa, Fumihiko

2016-01-01

The electric capacitance of an amorphous TiO2-x surface increases proportionally to the negative sixth power of the convex diameter d. This occurs because of the van der Waals attraction on the amorphous surface of up to 7?mF/cm2, accompanied by extreme enhanced electron trapping resulting from both the quantum-size effect and an offset effect from positive charges at oxygen-vacancy sites. Here we show that a supercapacitor, constructed with a distributed constant-equipment circuit of large r...

Applying state diagrams to food processing and development

Science.gov (United States)

Roos, Y.; Karel, M.

1991-01-01

The physical state of food components affects their properties during processing, storage, and consumption. Removal of water by evaporation or by freezing often results in formation of an amorphous state (Parks et al., 1928; Troy and Sharp, 1930; Kauzmann, 1948; Bushill et al., 1965; White and Cakebread, 1966; Slade and Levine, 1991). Amorphous foods are also produced from carbohydrate melts by rapid cooling after extrusion or in the manufacturing of hard sugar candies and coatings (Herrington and Branfield, 1984). Formation of the amorphous state and its relation to equilibrium conditions are shown in Fig. 1 [see text]. The most important change, characteristic of the amorphous state, is noticed at the glass transition temperature (Tg), which involves transition from a solid "glassy" to a liquid-like "rubbery" state. The main consequence of glass transition is an increase of molecular mobility and free volume above Tg, which may result in physical and physico-chemical deteriorative changes (White and Cakebread, 1966; Slade and Levine, 1991). We have conducted studies on phase transitions of amorphous food materials and related Tg to composition, viscosity, stickiness, collapse, recrystallization, and ice formation. We have also proposed that some diffusion-limited deteriorative reactions are controlled by the physical state in the vicinity of Tg (Roos and Karel, 1990, 1991a, b, c). The results are summarized in this article, with state diagrams based on experimental and calculated data to characterize the relevant water content, temperature, and time-dependent phenomena of amorphous food components.

Properties of amorphous silicon thin films synthesized by reactive particle beam assisted chemical vapor deposition

International Nuclear Information System (INIS)

Choi, Sun Gyu; Wang, Seok-Joo; Park, Hyeong-Ho; Jang, Jin-Nyoung; Hong, MunPyo; Kwon, Kwang-Ho; Park, Hyung-Ho

2010-01-01

Amorphous silicon thin films were formed by chemical vapor deposition of reactive particle beam assisted inductively coupled plasma type with various reflector bias voltages. During the deposition, the substrate was heated at 150 o C. The effects of reflector bias voltage on the physical and chemical properties of the films were systematically studied. X-ray diffraction and Raman spectroscopy results showed that the deposited films were amorphous and the films under higher reflector voltage had higher internal energy to be easily crystallized. The chemical state of amorphous silicon films was revealed as metallic bonding of Si atoms by using X-ray photoelectron spectroscopy. An increase in reflector voltage induced an increase of surface morphology of films and optical bandgap and a decrease of photoconductivity.

Amorphous iron–chromium oxide nanoparticles with long-term stability

Energy Technology Data Exchange (ETDEWEB)

Iacob, Mihail [“Petru Poni” Institute of Macromolecular Chemistry, Iasi 700487 (Romania); Institute of Chemistry of ASM, Academiei str. 3, Chisinau 2028, Republic of Moldova (Moldova, Republic of); Cazacu, Maria, E-mail: mcazacu@icmpp.ro [“Petru Poni” Institute of Macromolecular Chemistry, Iasi 700487 (Romania); Turta, Constantin [Institute of Chemistry of ASM, Academiei str. 3, Chisinau 2028, Republic of Moldova (Moldova, Republic of); Doroftei, Florica [“Petru Poni” Institute of Macromolecular Chemistry, Iasi 700487 (Romania); Botko, Martin; Čižmár, Erik; Zeleňáková, Adriana; Feher, Alexander [Institute of Physics, Faculty of Science, P.J. Šafárik University, Park Angelinum 9, SK-04154 Košice (Slovakia)

2015-05-15

Highlights: • Fe–Cr oxide nanoparticles with pre-established metals ratio were obtained. • The amorphous state and its long-term stability were highlighted by X-ray diffraction. • The average diameter of dried nanoparticles was 3.5 nm, as was estimated by TEM, AFM. • In hexane dispersion, nanoparticles with diameter in the range 2.33–4.85 nm were found. • Superparamagnetic state of NPs co-exists with diamagnetism of the organic layer. - Abstract: Iron–chromium nanoparticles (NPs) were obtained through the thermal decomposition of μ{sub 3}-oxo heterotrinuclear (FeCr{sub 2}O) acetate in the presence of sunflower oil and dodecylamine (DA) as surfactants. The average diameter of the NPs was 3.5 nm, as estimated on the basis of transmission electron microscopy and atomic force microscopy images. Both techniques revealed the formation of roughly approximated spheres with some irregularities and agglomerations in larger spherical assemblies of 50–100 nm. In hexane, NPs with diameters in the 2.33–4.85 nm range are individually dispersed, as emphasized by dynamic light scattering measurements. The amorphous nature of the product was emphasized by X-ray powder diffraction. The study of the magnetic properties shows the presence of superparamagnetic state of iron–chromium oxide NPs and the diamagnetic contribution from DA layer forming a shell of NPs.

Structure and thermal stability of biodegradable Mg-Zn-Ca based amorphous alloys synthesized by mechanical alloying

Energy Technology Data Exchange (ETDEWEB)

Datta, Moni Kanchan; Chou, Da-Tren; Hong, Daeho; Saha, Partha [Department of Bioengineering, Swanson School of Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States); Chung, Sung Jae [Mechanical Engineering and Materials Science, Swanson School of Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States); Lee, Bouen [Department of Bioengineering, Swanson School of Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States); Sirinterlikci, Arif [Department of Engineering, Robert Morris University, Moon Township, Pittsburgh, PA 15108 (United States); Ramanathan, Madhumati; Roy, Abhijit [Department of Bioengineering, Swanson School of Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States); Kumta, Prashant N., E-mail: matscib@gmail.com [Department of Bioengineering, Swanson School of Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States); Mechanical Engineering and Materials Science, Swanson School of Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States); Chemical and Petroleum Engineering, Swanson School of Engineering, University of Pittsburgh, Pittsburgh, PA 15261 (United States); School of Dental Medicine, University of Pittsburgh, Pittsburgh, PA 15261 (United States); Center for Complex Engineered Multifunctional Materials, University of Pittsburgh, Pittsburgh, PA 15261 (United States)

2011-12-15

Room temperature solid state diffusion reaction induced by mechanical alloying (MA) of elemental blends of Mg, Zn and Ca of nominal composition 60 at.% Mg-35 at.% Zn-5 at.% Ca has been studied. Formation of fully amorphous structure has been identified after 5 h of MA performed in a SPEX 8000M shaker mill, with milling continued up to 8 h to confirm the formation of homogeneous amorphous phase. Thermal stability of the amorphous phase has been studied using differential scanning calorimetry (DSC) and isothermal heat treatment at different temperatures. The amorphous powder consolidated using cold isostatic pressing (CIP) showed an envelope density {approx}80% of absolute density, which increased to an envelope density {approx}84% of absolute density after sintering at an optimized temperature of {approx}523 K for 9 h. Electrochemical bio-corrosion testing of the CIP compacted amorphous pellet as well as the sintered pellet performed in Dulbecco's Modified Eagle Medium, showed improved corrosion resistance in comparison to the as-cast pure Mg. Cytotoxicity testing of the CIP compacted amorphous pellet, performed using the MTT assay with MC3T3 osteoblastic cells, showed low cytotoxicity in comparison to the as-cast pure Mg.

Disorder-induced amorphization of intermetallic compounds: A molecular dynamics study

Energy Technology Data Exchange (ETDEWEB)

Massobrio, C. (Ecole Polytechnique Federale, Lausanne (Switzerland). Inst. de Physique Experimentale); Pontikis, V.; Doan, N.V.; Martin, G. (CEA Centre d' Etudes Nucleaires de Saclay, 91 - Gif-sur-Yvette (France). Dept. de Physique des Particules Elementaires)

The reaction of the crystalline compound NiZr{sub 2} to imposed chemical disorder has been studied by molecular dynamics in the isobaric canonical ensemble. The cohesive energy used is inspired by the second moment apporoximation of the local density of states in the tight binding model. Imposed chemical disorder induced swelling (3% for full disorder, 1% for 10% disorder). Above 10% disorder, the crystalline structure athermally collapses to an amorphous state which retains much of the local chemical order. (orig.).

Disorder-induced amorphization of intermetallic compounds: A molecular dynamics study

International Nuclear Information System (INIS)

Massobrio, C.; Pontikis, V.; Doan, N.V.; Martin, G.

1991-01-01

The reaction of the crystalline compound NiZr 2 to imposed chemical disorder has been studied by molecular dynamics in the isobaric canonical ensemble. The cohesive energy used is inspired by the second moment apporoximation of the local density of states in the tight binding model. Imposed chemical disorder induced swelling (3% for full disorder, 1% for 10% disorder). Above 10% disorder, the crystalline structure athermally collapses to an amorphous state which retains much of the local chemical order. (orig.)

Amorphous salts formed from rapid dehydration of multicomponent chloride and ferric sulfate brines: Implications for Mars

Science.gov (United States)

Sklute, Elizabeth C.; Rogers, A. Deanne; Gregerson, Jason C.; Jensen, Heidi B.; Reeder, Richard J.; Dyar, M. Darby

2018-03-01

Salts with high hydration states have the potential to maintain high levels of relative humidity (RH) in the near subsurface of Mars, even at moderate temperatures. These conditions could promote deliquescence of lower hydrates of ferric sulfate, chlorides, and other salts. Previous work on deliquesced ferric sulfates has shown that when these materials undergo rapid dehydration, such as that which would occur upon exposure to present day Martian surface conditions, an amorphous phase forms. However, the fate of deliquesced halides or mixed ferric sulfate-bearing brines are presently unknown. Here we present results of rapid dehydration experiments on Ca-, Na-, Mg- and Fe-chloride brines and multicomponent (Fe2(SO4)3 ± Ca, Na, Mg, Fe, Cl, HCO3) brines at ∼21 °C, and characterize the dehydration products using visible/near-infrared (VNIR) reflectance spectroscopy, mid-infrared attenuated total reflectance spectroscopy, and X-ray diffraction (XRD) analysis. We find that rapid dehydration of many multicomponent brines can form amorphous solids or solids with an amorphous component, and that the presence of other elements affects the persistence of the amorphous phase under RH fluctuations. Of the pure chloride brines, only Fe-chloride formed an amorphous solid. XRD patterns of the multicomponent amorphous salts show changes in position, shape, and magnitude of the characteristic diffuse scattering observed in all amorphous materials that could be used to help constrain the composition of the amorphous salt. Amorphous salts deliquesce at lower RH values compared to their crystalline counterparts, opening up the possibility of their role in potential deliquescence-related geologic phenomena such as recurring slope lineae (RSLs) or soil induration. This work suggests that a wide range of aqueous mixed salt solutions can lead to the formation of amorphous salts and are possible for Mars; detailed studies of the formation mechanisms, stability and transformation

Amorphous salts formed from rapid dehydration of multicomponent chloride and ferric sulfate brines: Implications for Mars

Science.gov (United States)

Sklute, Elizabeth C.; Rogers, A. Deanne; Gregerson, Jason C.; Jensen, Heidi B.; Reeder, Richard J.; Dyar, M. Darby

2018-01-01

Salts with high hydration states have the potential to maintain high levels of relative humidity (RH) in the near subsurface of Mars, even at moderate temperatures. These conditions could promote deliquescence of lower hydrates of ferric sulfate, chlorides, and other salts. Previous work on deliquesced ferric sulfates has shown that when these materials undergo rapid dehydration, such as that which would occur upon exposure to present day Martian surface conditions, an amorphous phase forms. However, the fate of deliquesced halides or mixed ferric sulfate-bearing brines are presently unknown. Here we present results of rapid dehydration experiments on Ca–, Na–, Mg– and Fe–chloride brines and multi-component (Fe2 (SO4)3 ± Ca, Na, Mg, Fe, Cl, HCO3) brines at ∼21°C, and characterize the dehydration products using visible/near-infrared (VNIR) reflectance spectroscopy, mid-infrared attenuated total reflectance spectroscopy, and X-ray diffraction (XRD) analysis. We find that rapid dehydration of many multicomponent brines can form amorphous solids or solids with an amorphous component, and that the presence of other elements affects the persistence of the amorphous phase under RH fluctuations. Of the pure chloride brines, only Fe–chloride formed an amorphous solid. XRD patterns of the multicomponent amorphous salts show changes in position, shape, and magnitude of the characteristic diffuse scattering observed in all amorphous materials that could be used to help constrain the composition of the amorphous salt. Amorphous salts deliquesce at lower RH values compared to their crystalline counterparts, opening up the possibility of their role in potential deliquescence-related geologic phenomena such as recurring slope lineae (RSLs) or soil induration. This work suggests that a wide range of aqueous mixed salt solutions can lead to the formation of amorphous salts and are possible for Mars; detailed studies of the formation mechanisms, stability and

Amorphous salts formed from rapid dehydration of multicomponent chloride and ferric sulfate brines: Implications for Mars.

Science.gov (United States)

Sklute, Elizabeth C; Rogers, A Deanne; Gregerson, Jason C; Jensen, Heidi B; Reeder, Richard J; Dyar, M Darby

2018-03-01

Salts with high hydration states have the potential to maintain high levels of relative humidity (RH) in the near subsurface of Mars, even at moderate temperatures. These conditions could promote deliquescence of lower hydrates of ferric sulfate, chlorides, and other salts. Previous work on deliquesced ferric sulfates has shown that when these materials undergo rapid dehydration, such as that which would occur upon exposure to present day Martian surface conditions, an amorphous phase forms. However, the fate of deliquesced halides or mixed ferric sulfate-bearing brines are presently unknown. Here we present results of rapid dehydration experiments on Ca-, Na-, Mg- and Fe-chloride brines and multi-component (Fe 2 (SO 4 ) 3 ± Ca, Na, Mg, Fe, Cl, HCO 3 ) brines at ∼21°C, and characterize the dehydration products using visible/near-infrared (VNIR) reflectance spectroscopy, mid-infrared attenuated total reflectance spectroscopy, and X-ray diffraction (XRD) analysis. We find that rapid dehydration of many multicomponent brines can form amorphous solids or solids with an amorphous component, and that the presence of other elements affects the persistence of the amorphous phase under RH fluctuations. Of the pure chloride brines, only Fe-chloride formed an amorphous solid. XRD patterns of the multicomponent amorphous salts show changes in position, shape, and magnitude of the characteristic diffuse scattering observed in all amorphous materials that could be used to help constrain the composition of the amorphous salt. Amorphous salts deliquesce at lower RH values compared to their crystalline counterparts, opening up the possibility of their role in potential deliquescence-related geologic phenomena such as recurring slope lineae (RSLs) or soil induration. This work suggests that a wide range of aqueous mixed salt solutions can lead to the formation of amorphous salts and are possible for Mars; detailed studies of the formation mechanisms, stability and transformation

Threshold irradiation dose for amorphization of silicon carbide

Energy Technology Data Exchange (ETDEWEB)

Snead, L.L.; Zinkle, S.J. [Oak Ridge National Lab., TN (United States)

1997-04-01

The amorphization of silicon carbide due to ion and electron irradiation is reviewed with emphasis on the temperature-dependent critical dose for amorphization. The effect of ion mass and energy on the threshold dose for amorphization is summarized, showing only a weak dependence near room temperature. Results are presented for 0.56 MeV silicon ions implanted into single crystal 6H-SiC as a function of temperature and ion dose. From this, the critical dose for amorphization is found as a function of temperature at depths well separated from the implanted ion region. Results are compared with published data generated using electrons and xenon ions as the irradiating species. High resolution TEM analysis is presented for the Si ion series showing the evolution of elongated amorphous islands oriented such that their major axis is parallel to the free surface. This suggests that surface of strain effects may be influencing the apparent amorphization threshold. Finally, a model for the temperature threshold for amorphization is described using the Si ion irradiation flux and the fitted interstitial migration energy which was found to be {approximately}0.56 eV. This model successfully explains the difference in the temperature-dependent amorphization behavior of SiC irradiated with 0.56 MeV silicon ions at 1 x 10{sup {minus}3} dpa/s and with fission neutrons irradiated at 1 x 10{sup {minus}6} dpa/s irradiated to 15 dpa in the temperature range of {approximately}340 {+-} 10K.

Threshold irradiation dose for amorphization of silicon carbide

International Nuclear Information System (INIS)

Snead, L.L.; Zinkle, S.J.

1997-01-01

The amorphization of silicon carbide due to ion and electron irradiation is reviewed with emphasis on the temperature-dependent critical dose for amorphization. The effect of ion mass and energy on the threshold dose for amorphization is summarized, showing only a weak dependence near room temperature. Results are presented for 0.56 MeV silicon ions implanted into single crystal 6H-SiC as a function of temperature and ion dose. From this, the critical dose for amorphization is found as a function of temperature at depths well separated from the implanted ion region. Results are compared with published data generated using electrons and xenon ions as the irradiating species. High resolution TEM analysis is presented for the Si ion series showing the evolution of elongated amorphous islands oriented such that their major axis is parallel to the free surface. This suggests that surface of strain effects may be influencing the apparent amorphization threshold. Finally, a model for the temperature threshold for amorphization is described using the Si ion irradiation flux and the fitted interstitial migration energy which was found to be ∼0.56 eV. This model successfully explains the difference in the temperature-dependent amorphization behavior of SiC irradiated with 0.56 MeV silicon ions at 1 x 10 -3 dpa/s and with fission neutrons irradiated at 1 x 10 -6 dpa/s irradiated to 15 dpa in the temperature range of ∼340 ± 10K

Threshold irradiation dose for amorphization of silicon carbide

International Nuclear Information System (INIS)

Snead, L.L.; Zinkle, S.J.

1997-01-01

The amorphization of silicon carbide due to ion and electron irradiation is reviewed with emphasis on the temperature-dependent critical dose for amorphization. The effect of ion mass and energy on the threshold dose for amorphization is summarized, showing only a weak dependence near room temperature. Results are presented for 0.56 MeV silicon ions implanted into single crystal 6H-SiC as a function of temperature and ion dose. From this, the critical dose for amorphization is found as a function of temperature at depths well separated from the implanted ion region. Results are compared with published data generated using electrons and xenon ions as the irradiating species. High resolution TEM analysis is presented for the Si ion series showing the evolution of elongated amorphous islands oriented such that their major axis is parallel to the free surface. This suggests that surface or strain effects may be influencing the apparent amorphization threshold. Finally, a model for the temperature threshold for amorphization is described using the Si ion irradiation flux and the fitted interstitial migration energy which was found to be ∼0.56eV. This model successfully explains the difference in the temperature dependent amorphization behavior of SiC irradiated with 0.56 MeV Si + at 1 x 10 -3 dpa/s and with fission neutrons irradiated at 1 x 10 -6 dpa/s irradiated to 15 dpa in the temperature range of ∼340±10K

The first Polish conference: Special glasses and amorphous materials. Introduction

International Nuclear Information System (INIS)

1993-01-01

The present issue brings a collection of papers submitted to the 1. Polish Conference on special glasses and amorphous materials, held on June 1993 at the University of Mining and Metallurgy in Cracow. It was a survey of the research topics and attainments of the research teams working in this referring to the nature of the glassy state of the matter and the relation between glasses and other amorphous materials, properties of these materials as well as modern methods of their synthesis both at low and high temperatures. Some of the results presented at the Conference have already found application in industry. Here belong, among others, the works on optic fibres. Several new materials which have been recently elaborated may also find interesting and new practical application. (author)

Crystallization Behavior of A Bulk Amorphous Mg62Cu26Y12 Alloy

Science.gov (United States)

Wu, Shyue-Sheng; Chin, Tsung-Shune; Su, Kuo-Chang

1994-07-01

The crystallization temperature, the associated activation energy and the crystallized structure of a bulk amorphous Mg62Cu26Y12 alloy with a diameter of 2.5 mm were studied. It possesses a one-step crystallization behavior. The crystallization reaction was found to be represented by: AM(MG62Cu26Y12)→Mg2Cu+MgY+CuY+Mg, ( Tx=188°C, Eac=134 kJ/mol) where AM represents the amorphous state, T x the crystallization temperature at an infinitesimal heating rate, and E ac the associated activation energy. The amount of crystalline phases were found to be Mg2Cu:MgY:CuY=76:17:7. The Mg phase is identifiable only by high resolution electron microscopy, not by X-ray diffraction. The crystallization leads to a sharp rise in electrical resistivity which is reversed to those of iron-based amorphous alloys.

Ab initio investigation of the structural and electronic properties of amorphous HgTe.

Science.gov (United States)

Zhao, Huxian; Chen, Xiaoshuang; Lu, Jianping; Shu, Haibo; Lu, Wei

2014-01-29

We present the structure and electronic properties of amorphous mercury telluride obtained from first-principle calculations. The initial configuration of amorphous mercury telluride is created by computation alchemy. According to different exchange–correlation functions in our calculations, we establish two 256-atom models. The topology of both models is analyzed in terms of radial and bond angle distributions. It is found that both the Te and the Hg atoms tend to be fourfold, but with a wrong bond rate of about 10%. The fraction of threefold and fivefold atoms also shows that there are a significant number of dangling and floating bonds in our models. The electronic properties are also obtained. It is indicated that there is a bandgap in amorphous HgTe, in contrast to the zero bandgap for crystalline HgTe. The structures of the band tail and defect states are also discussed.

Electron-beam induced amorphization of stishovite: Silicon-coordination change observed using Si K-edge extended electron energy-loss fine structure

Science.gov (United States)

van Aken, P. A.; Sharp, T. G.; Seifert, F.

The analysis of the extended energy-loss fine structure (EXELFS) of the Si K-edge for sixfold-coordinated Si in synthetic stishovite and fourfold-coordinated Si in natural α-quartz is reported by using electron energy-loss spectroscopy (EELS) in combination with transmission electron microscopy (TEM). The stishovite Si K-edge EXELFS spectra were measured as a time-dependent series to document irradiation-induced amorphization. The amorphization was also investigated through the change in Si K- and O K-edge energy-loss near edge structure (ELNES). For α-quartz, in contrast to stishovite, electron irradiation-induced vitrification, verified by selected area electron diffraction (SAED), produced no detectable changes of the EXELFS. The Si K-edge EXELFS were analysed with the classical extended X-ray absorption fine structure (EXAFS) treatment and compared to ab initio curve-waved multiple-scattering (MS) calculations of EXAFS spectra for stishovite and α-quartz. Highly accurate information on the local atomic environment of the silicon atoms during the irradiation-induced amorphization of stishovite is obtained from the EXELFS structure parameters (Si-O bond distances, coordination numbers and Debye-Waller factors). The mean Si-O bond distance R and mean Si coordination number N changes from R=0.1775 nm and N=6 for stishovite through a disordered intermediate state (R 0.172 nm and N 5) to R 0.167 nm and N 4.5 for a nearly amorphous state similar to α-quartz (R=0.1609 nm and N=4). During the amorphization process, the Debye-Waller factor (DWF) passes through a maximum value of as it changes from for sixfold to for fourfold coordination of Si. This increase in Debye-Waller factor indicates an increase in mean-square relative displacement (MSRD) between the central silicon atom and its oxygen neighbours that is consistent with the presence of an intermediate structural state with fivefold coordination of Si. The distribution of coordination states can be estimated by

Radiative lifetime of geminate and non-geminate pairs in amorphous semiconductors: a-Ge:H

Energy Technology Data Exchange (ETDEWEB)

Singh, Jai [Faculty of Technology, Charles Darwin University, Darwin, NT 0909 (Australia)

2006-07-01

Lifetimes of radiative recombination of geminate and non-geminate pairs in amorphous semiconductors are calculated at thermal equilibrium. The theory is applied to calculate the radiative lifetimes of type I and II geminate pairs and non-geminate pairs in hydrogenated amorphous germanium (a-Ge:H) and compared with the experimental results. The type II geminate pairs can exist in singlet and triplet spin states, only singlet is considered here, whereas the type I geminate pairs do not have spin dependence. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Pressure-induced transformations in amorphous silicon: A computational study

Energy Technology Data Exchange (ETDEWEB)

Garcez, K. M. S., E-mail: kmgarcez@ufma.br [Universidade Federal do Maranhão, 65700-000 Bacabal, Maranhão (Brazil); Antonelli, A., E-mail: aantone@ifi.unicamp.br [Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas, UNICAMP, 13083-859 Campinas, São Paulo (Brazil)

2014-02-14

We study the transformations between amorphous phases of Si through molecular simulations using the environment dependent interatomic potential (EDIP) for Si. Our results show that upon pressure, the material undergoes a transformation from the low density amorphous (LDA) Si to the high density amorphous (HDA) Si. This transformation can be reversed by decompressing the material. This process, however, exhibits clear hysteresis, suggesting that the transformation LDA ↔ HDA is first-order like. The HDA phase is predominantly five-fold coordinated, whereas the LDA phase is the normal tetrahedrally bonded amorphous Si. The HDA phase at 400 K and 20 GPa was submitted to an isobaric annealing up to 800 K, resulting in a denser amorphous phase, which is structurally distinct from the HDA phase. Our results also show that the atomic volume and structure of this new amorphous phase are identical to those of the glass obtained by an isobaric quenching of the liquid in equilibrium at 2000 K and 20 GPa down to 400 K. The similarities between our results and those for amorphous ices suggest that this new phase is the very high density amorphous Si.

Pressure-induced transformations in amorphous silicon: A computational study

Science.gov (United States)

Garcez, K. M. S.; Antonelli, A.

2014-02-01

We study the transformations between amorphous phases of Si through molecular simulations using the environment dependent interatomic potential (EDIP) for Si. Our results show that upon pressure, the material undergoes a transformation from the low density amorphous (LDA) Si to the high density amorphous (HDA) Si. This transformation can be reversed by decompressing the material. This process, however, exhibits clear hysteresis, suggesting that the transformation LDA ↔ HDA is first-order like. The HDA phase is predominantly five-fold coordinated, whereas the LDA phase is the normal tetrahedrally bonded amorphous Si. The HDA phase at 400 K and 20 GPa was submitted to an isobaric annealing up to 800 K, resulting in a denser amorphous phase, which is structurally distinct from the HDA phase. Our results also show that the atomic volume and structure of this new amorphous phase are identical to those of the glass obtained by an isobaric quenching of the liquid in equilibrium at 2000 K and 20 GPa down to 400 K. The similarities between our results and those for amorphous ices suggest that this new phase is the very high density amorphous Si.

Impulse holograms in amorphous semiconductor films

International Nuclear Information System (INIS)

Ozols, A.; Ivanovs, G.; Lazarevs, S.

2002-01-01

Impulse hologram recording in amorphous chalcogenide semiconductor films with pulse duration from minutes to picoseconds is considered. Nanosecond pulses are shown to be optimal due to the nonlinearity to films. Millisecond impulse hologram recording is experimentally studied. It is found that about 500 times lower exposure is needed to reach the same diffraction efficiency when compared to CW case. The millisecond recording is non-permanent. A nonlinear photoinduced recharging of localized states in the band gap is found to be responsible for the millisecond recording. It can be applied for non-permanent optical storage and optical information processing. (authors)

Anodic electrochemical treatment of amorphous alloys

International Nuclear Information System (INIS)

Isaev, N.I.; Yakovlev, V.B.; Osipov, Eh.K.; Isaev, A.V.; Trofimova, E.A.; Vasil'ev, V.Yu.

1983-01-01

The aim of the investigation is to reveal peculiarities of the process of anodic oxidation and properties of anode oxide films, formed on the surface of amorphous alloys. Amorphous alloys on the base of rectifying metals of Zr-Ni, Zr-Cu-Ni, Zr-Al-Ni, Zr-Cu-Sn, Zr-Al, Zr-Mo systems are studied. Electrolytes which do not dissolve or weakly dissolve oxide film, such as boric acid electrolyte (40-45 g/l H 3 BO 3 and 18 cm 3 /l of the 25% aqueous NH 4 OH solution) and 20% H 2 SO 4 solution, are used for oxidation. Results of investigations, carried out on amorphous alloys, contaning noticeable quantities of non-rectifying components - Cu, Ni, Sn, Fe, Mo etc - have shown that non-rectifying components harden a process of anodic oxidation and decrease the current efficiency. Amorphous alloys, containing only rectifying components are oxidated in anodic way, the regularities of film growth being similar to those obtained for crystalline materials

Near-infrared analysis of hydrogen-bonding in glass- and rubber-state amorphous saccharide solids.

Science.gov (United States)

Izutsu, Ken-ichi; Hiyama, Yukio; Yomota, Chikako; Kawanishi, Toru

2009-01-01

Near-infrared (NIR) spectroscopic analysis of noncrystalline polyols and saccharides (e.g., glycerol, sorbitol, maltitol, glucose, sucrose, maltose) was performed at different temperatures (30-80 degrees C) to elucidate the effect of glass transition on molecular interaction. Transmission NIR spectra (4,000-12,000 cm(-1)) of the liquids and cooled-melt amorphous solids showed broad absorption bands that indicate random configuration of molecules. Heating of the samples decreased an intermolecular hydrogen-bonding OH vibration band intensity (6,200-6,500 cm(-1)) with a concomitant increase in a free and intramolecular hydrogen-bonding OH group band (6,600-7,100 cm(-1)). Large reduction of the intermolecular hydrogen-bonding band intensity at temperatures above the glass transition (T(g)) of the individual solids should explain the higher molecular mobility and lower viscosity in the rubber state. Mixing of the polyols with a high T(g) saccharide (maltose) or an inorganic salt (sodium tetraborate) shifted both the glass transition and the inflection point of the hydrogen-bonding band intensity to higher temperatures. The implications of these results for pharmaceutical formulation design and process monitoring (PAT) are discussed.

Melting and Pressure-Induced Amorphization of Quartz

OpenAIRE

Badro, James; Gillet, Philippe; Barrat, Jean-Louis

1997-01-01

It has recently been shown that amorphization and melting of ice were intimately linked. In this letter, we infer from molecular dynamics simulations on the SiO2 system that the extension of the quartz melting line in the metastable pressure-temperature domain is the pressure-induced amorphization line. It seems therefore likely that melting is the physical phenomenon responsible for pressure induced amorphization. Moreover, we show that the structure of a "pressure glass" is similar to that ...

Properties of amorphous FeCoB alloy particles (abstract)

DEFF Research Database (Denmark)

Charles, S. W.; Wells, S.; Meagher, A.

1988-01-01

-ray diffraction. Magnetic measurements of the saturation magnetization, coercivity, and remanence of the particles have been measured. The transition from the amorphous-to-crystalline state has been studied using differential scanning calorimetry (DSC) and thermomagnetometry up to a temperature of 450 °C (see Fig......Amorphous and crystalline alloy particles (0.05–0.5 nm) of FexCoyBz in which the ratio x:y ranges from 0 to 1 have been prepared by the borohydride reduction of iron and cobalt salts in aqueous solution. The structure of the particles has been studied using Mössbauer spectroscopy and x....... 1). It has been shown that the fraction of boron in the alloys (10–35 at. %) is dependent upon the rate of addition of salts to borohydride and the concentration of cobalt present; this in turn influences the crystallinity and magnetic properties . Journal of Applied Physics is copyrighted...

Swift heavy ion-beam induced amorphization and recrystallization of yttrium iron garnet

International Nuclear Information System (INIS)

Costantini, Jean-Marc; Miro, Sandrine; Beuneu, François; Toulemonde, Marcel

2015-01-01

Pure and (Ca and Si)-substituted yttrium iron garnet (Y 3 Fe 5 O 12 or YIG) epitaxial layers and amorphous films on gadolinium gallium garnet (Gd 3 Ga 5 O 12 , or GGG) single crystal substrates were irradiated by 50 MeV 32 Si and 50 MeV (or 60 MeV) 63 Cu ions for electronic stopping powers larger than the threshold value (∼4 MeV μm −1 ) for amorphous track formation in YIG crystals. Conductivity data of crystalline samples in a broad ion fluence range (10 11 –10 16 cm −2 ) are modeled with a set of rate equations corresponding to the amorphization and recrystallization induced in ion tracks by electronic excitations. The data for amorphous layers confirm that a recrystallization process takes place above ∼10 14 cm −2 . Cross sections for both processes deduced from this analysis are discussed in comparison to previous determinations with reference to the inelastic thermal-spike model of track formation. Micro-Raman spectroscopy was also used to follow the related structural modifications. Raman spectra show the progressive vanishing and randomization of crystal phonon modes in relation to the ion-induced damage. For crystalline samples irradiated at high fluences (⩾10 14 cm −2 ), only two prominent broad bands remain like for amorphous films, thereby reflecting the phonon density of states of the disordered solid, regardless of samples and irradiation conditions. The main band peaked at ∼660 cm −1 is assigned to vibration modes of randomized bonds in tetrahedral (FeO 4 ) units. (paper)

Anomalous magnetoresistance in amorphous metals

International Nuclear Information System (INIS)

Kuz'menko, V.M.; Vladychkin, A.N.; Mel'nikov, V.I.; Sudovtsev, A.I.

1984-01-01

The magnetoresistance of amorphous Bi, Ca, V and Yb films is investigated in fields up to 4 T at low temperatures. For all metals the magnetoresistance is positive, sharply decreases with growth of temperature and depends anomalously on the magnetic field strength. For amorphous superconductors the results agree satisfactorily with the theory of anomalous magnetoresistance in which allowance is made for scattering of electrons by the superconducting fluctuations

Influence of disorder on localization and density of states in amorphous carbon nitride thin films systems rich in π-bonded carbon atoms

International Nuclear Information System (INIS)

Alibart, F.; Lejeune, M.; Durand Drouhin, O.; Zellama, K.; Benlahsen, M.

2010-01-01

We discuss in this paper the evolution of both the density of states (DOS) located between the band-tail states and the DOS around the Fermi level N(E F ) in amorphous carbon nitride films (a-CN x ) as a function of the total nitrogen partial pressure ratio in the Ar/N 2 plasma mixture. The films were deposited by three different deposition techniques and their microstructure was characterized using a combination of infrared and Raman spectroscopy and optical transmission experiments, completed with electrical conductivity measurements, as a function of temperature. The observed changes in the optoelectronic properties are attributed to the modification in the atomic bonding structures, which were induced by N incorporation, accompanied by an increase in the sp 2 carbon bonding configurations and their relative disorder. The electrical conductivity variation was interpreted in terms of local effects on the nature and energy distribution of π and π* states.

The kinetics of solid phase epitaxy in As-doped buried amorphous silicon layers

International Nuclear Information System (INIS)

McCallum, J.C.

1999-01-01

Ion implantation is the principal method used to introduce dopants into silicon for fabrication of semiconductor devices. During ion implantation, damage accumulates in the crystalline silicon lattice and amorphisation may occur over the depth range of the ions if the implant dose is sufficiently high. As device dimensions shrink, the need to produce shallower and shallower highly-doped layers increases and the probability of amorphisation also increases. To achieve dopant-activation, the amorphous or damaged material must be returned to the crystalline state by thermal annealing. Amorphous silicon layers can be crystallised by the solid-state process of solid phase epitaxy (SPE) in which the amorphous layer transforms to crystalline silicon (c-Si) layer by layer using the underlying c-Si as a seed. The atomic mechanism that is responsible for the crystallisation is thought to involve highly-localised bond-breaking and rearrangement processes at the amorphous/crystalline (a/c) interface but the defect responsible for these bond rearrangements has not yet been identified. Since the bond breaking process necessarily generates dangling bonds, it has been suggested that the crystallisation process may solely involve the formation and migration of dangling bonds at the interface. One of the key factors which may shed further light on the nature of the SPE defect is the observed dopant-dependence of the rate of crystallisation. It has been found that moderate concentrations of dopants enhance the SPE crystallisation rate while the presence of equal concentrations of an n-type and a p-type dopant (impurity compensation) returns the SPE rate to the intrinsic value. This provides crucial evidence that the SPE mechanism is sensitive to the position of the Fermi level in the bandgap of the crystalline and/or the amorphous silicon phases and may lead to identification of an energy level within the bandgap that can be associated with the defect. This paper gives details of SPE

AC electrical conductivity in amorphous indium selenide thin films

International Nuclear Information System (INIS)

Di Giulio, H.; Rella, R.; Tepore, A.

1987-01-01

In order to obtain additional information about the nature of the conduction mechanism in amorphous InSe films results of an experimental study concerning the frequency and temperature dependence of the ac conductivity are reported. The measurements were performed on specimens of different thickness and different electrode contact areas. The results can be explained assuming that conduction occurs by phonon-assisted hopping between localized states near the Fermi level

Amorphous track models: a numerical comparison study

DEFF Research Database (Denmark)

Greilich, Steffen; Grzanka, Leszek; Hahn, Ute

in carbon ion treatment at the particle facility HIT in Heidelberg. Apparent differences between the LEM and the Katz model are the way how interactions of individual particle tracks and how extended targets are handled. Complex scenarios, however, can mask the actual effect of these differences. Here, we......Amorphous track models such as Katz' Ion-Gamma-Kill (IGK) approach [1, 2] or the Local Effect Model (LEM) [3, 4] had reasonable success in predicting the response of solid state dosimeters and radiobiological systems. LEM is currently applied in radiotherapy for biological dose optimization...

Novel trends in the study of magnetically soft Co-based amorphous glass-coated wires

International Nuclear Information System (INIS)

Chiriac, H.; Ovari, T.-A.

2011-01-01

An overview of the recent progress and state-of-the-art results in the investigation of the amorphous glass-coated wires with nearly zero magnetostriction is presented. These versatile microwires display enhanced soft magnetic properties, which make them suitable as sensing elements in various sensors for biomedical and automotive applications. Current results on their magnetic characteristics refer to a major refinement of their core-shell magnetic structure by taking into account the interdomain wall and to the thorough analysis of the magnetization within the outer shell. Experimental techniques such as giant magneto-impedance, magneto-resistance, and magneto-optical Kerr effect measurements are employed to prove the outcome of the theoretical calculations. The impact of the magnetic structure of the outer shell on the propagation of domain walls in bistable amorphous wires is analyzed. Very recent results on the magnetization process in nearly zero magnetostrictive amorphous glass-coated wires with submicron dimensions are also reviewed. - Highlights: → The most recent advances in the study of amorphous glass-coated wires with nearly zero magnetostriction are surveyed. → Major progress in the study of their domain structure: the wide interdomain wall, which affects high frequency phenomena. → The magnetization of the outer shell depends on wire diameter and affects the wall propagation in bistable samples. → These novel results are important for future sensor applications of nearly zero magnetostrictive amorphous microwires.

Photoexcitation-induced processes in amorphous semiconductors

Energy Technology Data Exchange (ETDEWEB)

Singh, Jai [School of Engineering and Logistics, Charles Darwin University, Darwin, NT 0909 (Australia)]. E-mail: jai.singh@cdu.edu.au

2005-07-30

Theories for the mechanism of photo-induced processes of photodarkening (PD), volume expansion (VE) in amorphous chalcogenides are presented. Rates of spontaneous emission of photons by radiative recombination of excitons in amorphous semiconductors are also calculated and applied to study the excitonic photoluminescence in a-Si:H. Results are compared with previous theories.

Photoexcitation-induced processes in amorphous semiconductors

International Nuclear Information System (INIS)

Singh, Jai

2005-01-01

Theories for the mechanism of photo-induced processes of photodarkening (PD), volume expansion (VE) in amorphous chalcogenides are presented. Rates of spontaneous emission of photons by radiative recombination of excitons in amorphous semiconductors are also calculated and applied to study the excitonic photoluminescence in a-Si:H. Results are compared with previous theories

Electrical Characterization of Irradiated Semiconducting Amorphous Hydrogenated Boron Carbide

Science.gov (United States)

Peterson, George Glenn

Semiconducting amorphous partially dehydrogenated boron carbide has been explored as a neutron voltaic for operation in radiation harsh environments, such as on deep space satellites/probes. A neutron voltaic device could also be used as a solid state neutron radiation detector to provide immediate alerts for radiation workers/students, as opposed to the passive dosimetry badges utilized today. Understanding how the irradiation environment effects the electrical properties of semiconducting amorphous partially dehydrogenated boron carbide is important to predicting the stability of these devices in operation. p-n heterojunction diodes were formed from the synthesis of semiconducting amorphous partially dehydrogenated boron carbide on silicon substrates through the use of plasma enhanced chemical vapor deposition (PECVD). Many forms of structural and electrical measurements and analysis have been performed on the p-n heterojunction devices as a function of both He+ ion and neutron irradiation including: transmission electron microscopy (TEM), selected area electron diffraction (SAED), current versus voltage I(V), capacitance versus voltage C(V), conductance versus frequency G(f), and charge carrier lifetime (tau). In stark contrast to nearly all other electronic devices, the electrical performance of these p-n heterojunction diodes improved with irradiation. This is most likely the result of bond defect passivation and resolution of degraded icosahedral based carborane structures (icosahedral molecules missing a B, C, or H atom(s)).

Atomistic modeling of ion beam induced amorphization in silicon

International Nuclear Information System (INIS)

Pelaz, Lourdes; Marques, Luis A.; Lopez, Pedro; Santos, Ivan; Aboy, Maria; Barbolla, Juan

2005-01-01

Ion beam induced amorphization in Si has attracted significant interest since the beginning of the use of ion implantation for the fabrication of Si devices. Nowadays, a renewed interest in the modeling of amorphization mechanisms at atomic level has arisen due to the use of preamorphizing implants and high dopant implantation doses for the fabrication of nanometric-scale Si devices. In this work, we briefly describe the existing phenomenological and defect-based amorphization models. We focus on the atomistic model we have developed to describe ion beam induced amorphization in Si. In our model, the building block for the amorphous phase is the bond defect or IV pair, whose stability increases with the number of surrounding IV pairs. This feature explains the regrowth behavior of different damage topologies and the kinetics of the crystalline to amorphous transition. The model provides excellent quantitative agreement with experimental results

Analysis of an ideal amorphous solid

International Nuclear Information System (INIS)

To, L.T.; Stachurski, Z.H.

2004-01-01

Full text: In geometrical terms, amorphous solids are fundamentally different from crystalline solids in that they can not be constructed by the crystallographic method of translation of the basis along a lattice. Therefore, to study amorphous structures we must invoke concepts and use measures different to those used for ordered structures. Nevertheless, an ideal amorphous solid must share together with the ideal crystalline solid in the same definition of the term 'ideal'. In both cases it must be a perfect body, in which perfection is carried through in every detail to an unlimited (infinite) size without fault or defect. The latest results on this research will be presented. To qualify for a solid, rigid body, close packing of the spheres is required. For an ideal amorphous solids composed of hard spheres of identical size, we impose a stricter condition for the packing, namely, to be such that all spheres are in fixed positions (no loose spheres). To define the ideal solid, we must define what we mean by a perfect amorphous structure. Here, perfection is defined by, first the definition of imperfections, and next by the requirement of absence of imperfections of any kind. We envisage two types of defects: (i) geometrical, and (ii) statistical. Geometrical defects are: a sphere of different size, a loose sphere, and a vacancy. A statistical defect is defined with respect to two statistical functions: Ψ(N C ), and Φ(S β ). The former describes the probability of a given sphere having nc number of touching contacts, and the latter describes the disposition of the contacts on the surface of the sphere. Defects relating to the two functions will be described. The results for the functions, Ψ(N C ), and Φ(S β ), for the corresponding radial distribution function, and so called blocking number will be presented from simulations of an ideal amorphous solid

Effect of radiation-induced amorphization on smectite dissolution.

Science.gov (United States)

Fourdrin, C; Allard, T; Monnet, I; Menguy, N; Benedetti, M; Calas, G

2010-04-01

Effects of radiation-induced amorphization of smectite were investigated using artificial irradiation. Beams of 925 MeV Xenon ions with radiation dose reaching 73 MGy were used to simulate the effects generated by alpha recoil nuclei or fission products in the context of high level nuclear waste repository. Amorphization was controlled by X-ray diffraction, transmission electron microscopy, and Fourier transform infrared spectroscopy. An important coalescence of the smectite sheets was observed which lead to a loss of interparticle porosity. The amorphization is revealed by a loss of long-range structure and accompanied by dehydroxylation. The dissolution rate far-from-equilibrium shows that the amount of silica in solution is two times larger in the amorphous sample than in the reference clay, a value which may be enhanced by orders of magnitude when considering the relative surface area of the samples. Irradiation-induced amorphization thus facilitates dissolution of the clay-derived material. This has to be taken into account for the safety assessment of high level nuclear waste repository, particularly in a scenario of leakage of the waste package which would deliver alpha emitters able to amorphize smectite after a limited period of time.

Production of amorphous alloys by ion implantation

International Nuclear Information System (INIS)

Grant, W.A.; Chadderton, L.T.; Johnson, E.

1978-01-01

Recent data are reported on the use of ion implantation to produce amorphous metallic alloys. In particular data on the dose dependence of the crystalline to amorphous transition induced by P + implantation of nickel is presented. (Auth.)

Charge deep-level transient spectroscopy study of high-energy-electron-beam-irradiated hydrogenated amorphous silicon

NARCIS (Netherlands)

Klaver, A.; Nádaždy, V.; Zeman, M.; Swaaiij, R.A.C.M.M.

2006-01-01

We present a study of changes in the defect density of states in hydrogenated amorphous silicon (a-Si:H) due to high-energy electron irradiation using charged deep-level transient spectroscopy. It was found that defect states near the conduction band were removed, while in other band gap regions the

Structural and electronic effects of the solid-state amorphization and recrystallization of Cu--Ho thin films

International Nuclear Information System (INIS)

Venkert, A.; Shamir, N.; Talianker, M.; Atzmony, U.; Dariel, M.P.; Ben-Gurion University, Material Engineering, P.O. Box 653, Beer-Sheva, Israel)

1987-01-01

Amorphous alloys can be produced as the outcome of diffusion reaction between evaporated thin crystalline films. The Cu--Ho system is a favorable one for such a reaction to occur. The amorphization and the recrystallization of Cu--Ho multilayers has been previously observed using transmission electron microscopy. In the present study the various stages of the interdiffusion processes in this multilayer system were investigated by means of electron spectroscopy techniques. Auger electron spectroscopy depth profiling showed the evolution of the mixing process from the multilayer structure to its completion. The mixing process was accompanied by a shift without broadening of the x-ray photoelectron spectroscopy Ho 4d line. This shift is attributed to a charge transfer from the Ho ion. The lack of line broadening indicated that the mixing was completed down to the atomic level

New amorphous and nanocrystalline alloys based on the Ni-Si-B system

Energy Technology Data Exchange (ETDEWEB)

Battezzati, L.; Rizzi, P.; Romussi, S. [Turin Univ. (Italy). Dipt. di Chimica

1998-08-01

The glass formation and crystallization of a Ni{sub 36}Fe{sub 32}Ta{sub 7}Si{sub 8}B{sub 17} alloy is reported. In its equilibrium state it has a complex constitution made of at least four phases. It starts melting at 1227 K and displays a liquidus at 1460 K, but it shows a tendency to undercool even on cooling at 10 K/min in a HTDSC cell. Amorphous ribbons were produced by melt spinning. In DSC experiments the crystallization of the amorphous alloy occurs with a primary reaction giving a peak skewed on the high temperature side with onset at 836 K using an heating rate of 40 K/min. XRD analysis and TEM observations demonstrate that crystals with size below 10 nm and lattice parameter close to that of Ni are formed during this transformation. The mechanism of crystallization is very sensitive to changes in composition. In fact, nanocrystals are not found in alloys easily amorphized as the present one but containing a different ratio of metallic elements. (orig.) 16 refs.

Amorphization reaction in thin films of elemental Cu and Y

Science.gov (United States)

Johnson, R. W.; Ahn, C. C.; Ratner, E. R.

1989-10-01

Compositionally modulated thin films of Cu and Y were prepared in an ultrahigh-vacuum dc ion-beam deposition chamber. The amorphization reaction was monitored by in situ x-ray-diffraction measurements. Growth of amorphous Cu1-xYx is observed at room temperature with the initial formation of a Cu-rich amorphous phase. Further annealing in the presence of unreacted Y leads to Y enrichment of the amorphous phase. Growth of crystalline CuY is observed for T=469 K. Transmission-electron-microscopy measurements provide real-space imaging of the amorphous interlayer and growth morphology. Models are developed, incorporating metastable interfacial and bulk free-energy diagrams, for the early stage of the amorphization reaction.

Amorphization induced by chemical disorder in crystalline NiZr2: A molecular-dynamics study based on an n-body potential

International Nuclear Information System (INIS)

Massobrio, C.; Pontikis, V.; Martin, G.

1989-01-01

We present the first molecular-dynamics study of the amorphization of a crystalline alloy (NiZr 2 ) induced by chemical disorder. We used a n-body potential in conjunction with isobaric-isothermal molecular dynamics. The behavior of the pair distribution function suggests that the instability leading to the amorphous state is a first-order phase transformation

Traveling cluster approximation for uncorrelated amorphous systems

International Nuclear Information System (INIS)

Kaplan, T.; Sen, A.K.; Gray, L.J.; Mills, R.

1985-01-01

In this paper, the authors apply the TCA concepts to spatially disordered, uncorrelated systems (e.g., fluids or amorphous metals without short-range order). This is the first approximation scheme for amorphous systems that takes cluster effects into account while preserving the Herglotz property for any amount of disorder. They have performed some computer calculations for the pair TCA, for the model case of delta-function potentials on a one-dimensional random chain. These results are compared with exact calculations (which, in principle, taken into account all cluster effects) and with the CPA, which is the single-site TCA. The density of states for the pair TCA clearly shows some improvement over the CPA, and yet, apparently, the pair approximation distorts some of the features of the exact results. They conclude that the effects of large clusters are much more important in an uncorrelated liquid metal than in a substitutional alloy. As a result, the pair TCA, which does quite a nice job for alloys, is not adequate for the liquid. Larger clusters must be treated exactly, and therefore an n-TCA with n > 2 must be used

Heavy ions amorphous semiconductors irradiation study

International Nuclear Information System (INIS)

Benmalek, M.

1978-01-01

The behavior of amorphous semiconductors (germanium and germanium and arsenic tellurides) under ion bombardment at energies up to 2 MeV was studied. The irradiation induced modifications were followed using electrical parameter changes (resistivity and activation energy) and by means of the transmission electron microscopy observations. The electrical conductivity enhancement of the irradiated samples was interpreted using the late conduction theories in amorphous compounds. In amorphous germanium, Electron Microscopy showed the formations of 'globules', these defects are similar to voids observed in irradiated metals. The displacement cascade theory was used for the interpretation of the irradiation induced defects formation and a coalescence mechanism of growth was pointed out for the vacancy agglomeration [fr

Ga–Ge–Te amorphous thin films fabricated by pulsed laser deposition

International Nuclear Information System (INIS)

Němec, P.; Nazabal, V.; Dussauze, M.; Ma, H.-L.; Bouyrie, Y.; Zhang, X.-H.

2013-01-01

UV pulsed laser deposition was employed for the fabrication of amorphous Ga–Ge–Te thin films. The local structure of the bulk glasses as well as corresponding thin films was studied using Raman scattering spectroscopy; the main structural motifs were found to be [GeTe 4 ], eventually [GaTe 4 ] corner-sharing tetrahedra and disordered Te chains. Optical functions of the films (refractive index, extinction coefficient) were characterized by variable angle spectroscopic ellipsometry. Photostability experiments showed all Ga–Ge–Te laser deposited films to be stable against 1550 nm laser irradiation in an as-deposited state. In an annealed state, the most photostable composition seems to be Ga 10 Ge 15 Te 75 . This particular composition was further studied from the point of view of thermal stability and stability against ageing in as-deposited state. - Highlights: ► Pulsed laser deposition was used for fabrication of amorphous Ga–Ge–Te thin films. ► GeTe 4 , eventually GaTe 4 tetrahedra and disordered Te chains form the film structure. ► Optical functions of Ge–Ga–Te films were characterized by spectroscopic ellipsometry. ► All as-deposited Ga–Ge–Te thin films are stable against 1550 nm irradiation. ► In annealed state, the most photostable composition seems to be Ga 10 Ge 15 Te 75

Amorphous surface layers in Ti-implanted Fe

International Nuclear Information System (INIS)

Knapp, J.A.; Follstaedt, D.M.; Picraux, S.T.

1979-01-01

Implanting Ti into high-purity Fe results in an amorphous surface layer which is composed of not only Fe and Ti, but also C. Implantations were carried out at room temperature over the energy range 90 to 190 keV and fluence range 1 to 2 x 10 16 at/cm 2 . The Ti-implanted Fe system has been characterized using transmission electron microscopy (TEM), ion backscattering and channeling analysis, and (d,p) nuclear reaction analysis. The amorphous layer was observed to form at the surface and grow inward with increasing Ti fluence. For an implant of 1 x 10 17 Ti/cm 2 at 180 keV the layer thickness was 150 A, while the measured range of the implanted Ti was approx. 550 A. This difference is due to the incorporation of C into the amorphous alloy by C being deposited on the surface during implantation and subsequently diffusing into the solid. Our results indicate that C is an essential constituent of the amorphous phase for Ti concentrations less than or equal to 10 at. %. For the 1 x 10 17 Ti/cm 2 implant, the concentration of C in the amorphous phase was approx. 25 at. %, while that of Ti was only approx. 3 at. %. A higher fluence implant of 2 x 10 17 Ti/cm 2 produced an amorphous layer with a lower C concentration of approx. 10 at. % and a Ti concentration of approx. 20 at. %

Effect of amorphous lamella on the crack propagation behavior of crystalline Mg/amorphous Mg-Al nanocomposites

Science.gov (United States)

Hai-Yang, Song; Yu-Long, Li

2016-02-01

The effects of amorphous lamella on the crack propagation behavior in crystalline/amorphous (C/A) Mg/Mg-Al nanocomposites under tensile loading are investigated using the molecular dynamics simulation method. The sample with an initial crack of orientation [0001] is considered here. For the nano-monocrystal Mg, the crack growth exhibits brittle cleavage. However, for the C/A Mg/Mg-Al nanocomposites, the ‘double hump’ behavior can be observed in all the stress-strain curves regardless of the amorphous lamella thickness. The results indicate that the amorphous lamella plays a critical role in the crack deformation, and it can effectively resist the crack propagation. The above mentioned crack deformation behaviors are also disclosed and analyzed in the present work. The results here provide a strategy for designing the high-performance hexagonal-close-packed metal and alloy materials. Project supported by the National Natural Science Foundation of China (Grant Nos. 11372256 and 11572259), the 111 Project (Grant No. B07050), the Program for New Century Excellent Talents in University of Ministry of Education of China (Grant No. NCET-12-1046), and the Program for New Scientific and Technological Star of Shaanxi Province, China (Grant No. 2012KJXX-39).

Wetting and crystallization at grain boundaries: Origin of aluminum-induced crystallization of amorphous silicon

International Nuclear Information System (INIS)

Wang, J.Y.; He, D.; Zhao, Y.H.; Mittemeijer, E.J.

2006-01-01

It has been shown experimentally that the grain boundaries in aluminium in contact with amorphous silicon are the necessary agents for initiation of the crystallization of silicon upon annealing temperatures as low as 438 K. Thermodynamic analysis has shown (i) that Si can 'wet' the Al grain boundaries due to the favorable Si/Al interface energy as compared to the Al grain-boundary energy and (ii) that Si at the Al grain boundaries can maintain its amorphous state up to a thickness of about 1.0 nm. Beyond that thickness crystalline Si develops at the Al grain boundaries

Effect of hydrogen on the diode properties of reactively sputtered amorphous silicon Schottky barrier structures

International Nuclear Information System (INIS)

Morel, D.L.; Moustakas, T.D.

1981-01-01

The diode properties of reactively sputtered hydrogenated amorphous silicon Schottky barrier structures (a-SiH/sub x/ /Pt) have been investigated. We find a systematic relation between the changes in the open circuit voltage, the barrier height, and the diode quality factor. These results are accounted for by assuming that hydrogen incorporation into the amorphous silicon network removes states from the top of the valence band and sharpens the valence-band tail. Interfacial oxide layers play a significant role in the low hydrogen content, and low band-gap regime

New Approaches to the Computer Simulation of Amorphous Alloys: A Review.

Science.gov (United States)

Valladares, Ariel A; Díaz-Celaya, Juan A; Galván-Colín, Jonathan; Mejía-Mendoza, Luis M; Reyes-Retana, José A; Valladares, Renela M; Valladares, Alexander; Alvarez-Ramirez, Fernando; Qu, Dongdong; Shen, Jun

2011-04-13

In this work we review our new methods to computer generate amorphous atomic topologies of several binary alloys: SiH, SiN, CN; binary systems based on group IV elements like SiC; the GeSe 2 chalcogenide; aluminum-based systems: AlN and AlSi, and the CuZr amorphous alloy. We use an ab initio approach based on density functionals and computationally thermally-randomized periodically-continued cells with at least 108 atoms. The computational thermal process to generate the amorphous alloys is the undermelt-quench approach, or one of its variants, that consists in linearly heating the samples to just below their melting (or liquidus) temperatures, and then linearly cooling them afterwards. These processes are carried out from initial crystalline conditions using short and long time steps. We find that a step four-times the default time step is adequate for most of the simulations. Radial distribution functions (partial and total) are calculated and compared whenever possible with experimental results, and the agreement is very good. For some materials we report studies of the effect of the topological disorder on their electronic and vibrational densities of states and on their optical properties.

Experimental study of the polyamorphism of water. I. The isobaric transitions from amorphous ices to LDA at 4 MPa

Science.gov (United States)

Handle, Philip H.; Loerting, Thomas

2018-03-01

The existence of more than one solid amorphous state of water is an extraordinary feature. Since polyamorphism might be connected to the liquid-liquid critical point hypothesis, it is particularly important to study the relations amongst the different amorphous ices. Here we study the polyamorphic transformations of several high pressure amorphous ices to low-density amorphous ice (LDA) at 4 MPa by isobaric heating utilising in situ volumetry and ex situ X-ray diffraction. We find that very-high density amorphous ice (VHDA) and unannealed high density amorphous ice (HDA) show significant relaxation before transforming to LDA, whereby VHDA is seen to relax toward HDA. By contrast, expanded HDA shows almost no relaxation prior to the transformation. The transition to LDA itself obeys criteria for a first-order-like transition in all cases. In the case of VHDA, even macroscopic phase separation is observed. These findings suggest that HDA and LDA are two clearly distinct polyamorphs. We further present evidence that HDA reaches the metastable equilibrium at 140 K and 0.1 GPa but only comes close to that at 140 K and 0.2 GPa. The most important is the path independence of the amorphous phase reached at 140 K and 0.1 GPa.

Ab initio investigation of the structural and electronic properties of amorphous HgTe

International Nuclear Information System (INIS)

Zhao, Huxian; Chen, Xiaoshuang; Shu, Haibo; Lu, Wei; Lu, Jianping

2014-01-01

We present the structure and electronic properties of amorphous mercury telluride obtained from first-principle calculations. The initial configuration of amorphous mercury telluride is created by computation alchemy. According to different exchange–correlation functions in our calculations, we establish two 256-atom models. The topology of both models is analyzed in terms of radial and bond angle distributions. It is found that both the Te and the Hg atoms tend to be fourfold, but with a wrong bond rate of about 10%. The fraction of threefold and fivefold atoms also shows that there are a significant number of dangling and floating bonds in our models. The electronic properties are also obtained. It is indicated that there is a bandgap in amorphous HgTe, in contrast to the zero bandgap for crystalline HgTe. The structures of the band tail and defect states are also discussed. (paper)

Synthesis of amorphous acid iron phosphate nanoparticles

International Nuclear Information System (INIS)

Palacios, E.; Leret, P.; Fernández, J. F.; Aza, A. H. De; Rodríguez, M. A.

2012-01-01

A simple method to precipitate nanoparticles of iron phosphate with acid character has been developed in which the control of pH allows to obtain amorphous nanoparticles. The acid aging of the precipitated amorphous nanoparticles favored the P–O bond strength that contributes to the surface reordering, the surface roughness and the increase of the phosphate acid character. The thermal behavior of the acid iron phosphate nanoparticles has been also studied and the phosphate polymerization at 400 °C produces strong compacts of amorphous nanoparticles with interconnected porosity.

Structural and hydration properties of amorphous tricalcium silicate

International Nuclear Information System (INIS)

Mori, K.; Fukunaga, T.; Shiraishi, Y.; Iwase, K.; Xu, Q.; Oishi, K.; Yatsuyanagi, K.; Yonemura, M.; Itoh, K.; Sugiyama, M.; Ishigaki, T.; Kamiyama, T.; Kawai, M.

2006-01-01

Mechanical milling was carried out to synthesize amorphous tricalcium silicate (Ca 3 SiO 5 ) sample, where Ca 3 SiO 5 is the most principal component of Portland cement. The partial phase transformation from the crystalline to the amorphous state was observed by X-ray and neutron diffractions. Moreover, it was found that the structural distortion on the Ca-O correlation exists in the milled Ca 3 SiO 5 . The hydration of the milled Ca 3 SiO 5 with D 2 O proceeds as follows: the formation of hydration products such as Ca(OD) 2 rapidly occurs in the early hydration stage, and then proceeds slowly after about 15 h. The induction time for the hydration of the milled Ca 3 SiO 5 is approximately one half shorter than that for the hydration of the unmilled one. This result means that the mechanical milling brings about the chemical activity of Ca 3 SiO 5 for hydration, and may be particularly useful for increasing the reactivity in the early hydration stage

Amorphous superconductors

International Nuclear Information System (INIS)

Missell, F.P.

1985-01-01

We describe briefly the strong coupling superconductivity observed in amorphous alloys based upon simple metals. For transition metal alloys we discuss the behavior of the superconducting transition temperature T c , the upper critical field H (sub)c2 and the critical current J c . A survey of current problems is presented. (author) [pt

Room-temperature electroluminescence of Er-doped hydrogenated amorphous silicon

Energy Technology Data Exchange (ETDEWEB)

Gusev, Oleg; Bresler, Mikhail; Kuznetsov, Alexey; Kudoyarova, Vera; Pak, Petr; Terukov, Evgenii; Tsendin, Konstantin; Yassievich, Irina [A F Ioffe Physico-Technical Institute, Politekhnicheskaya 26, 194021 St. Petersburg (Russian Federation); Fuhs, Walther [Hahn-Meitner Institut, Abteilung Photovoltaik, Rudower Chaussee 5, D-12489 Berlin (Germany); Weiser, Gerhard [Phillips-Universitat Marburg, Fachbereich Physik, D-35032 Marburg (Germany)

1998-05-11

We have observed room-temperature erbium-ion electroluminescence in erbium-doped amorphous silicon. Electrical conduction through the structure is controlled by thermally activated ionization of deep D{sup -} defects in an electric field and the reverse process of capture of mobile electrons by D{sup 0} states. Defect-related Auger excitation (DRAE) is responsible for excitation of erbium ions located close to dangling-bond defects. Our experimental data are consistent with the mechanisms proposed

Charged particle detectors made from thin layers of amorphous silicon

International Nuclear Information System (INIS)

Morel, J.R.

1986-05-01

A series of experiments was conducted to determine the feasibility of using hydrogenated amorphous silicon (α-Si:H) as solid state thin film charged particle detectors. 241 Am alphas were successfully detected with α-Si:H devices. The measurements and results of these experiments are presented. The problems encountered and changes in the fabrication of the detectors that may improve the performance are discussed

Defects in Amorphous Semiconductors: The Case of Amorphous Indium Gallium Zinc Oxide

Science.gov (United States)

de Jamblinne de Meux, A.; Pourtois, G.; Genoe, J.; Heremans, P.

2018-05-01

Based on a rational classification of defects in amorphous materials, we propose a simplified model to describe intrinsic defects and hydrogen impurities in amorphous indium gallium zinc oxide (a -IGZO). The proposed approach consists of organizing defects into two categories: point defects, generating structural anomalies such as metal—metal or oxygen—oxygen bonds, and defects emerging from changes in the material stoichiometry, such as vacancies and interstitial atoms. Based on first-principles simulations, it is argued that the defects originating from the second group always act as perfect donors or perfect acceptors. This classification simplifies and rationalizes the nature of defects in amorphous phases. In a -IGZO, the most important point defects are metal—metal bonds (or small metal clusters) and peroxides (O - O single bonds). Electrons are captured by metal—metal bonds and released by the formation of peroxides. The presence of hydrogen can lead to two additional types of defects: metal-hydrogen defects, acting as acceptors, and oxygen-hydrogen defects, acting as donors. The impact of these defects is linked to different instabilities observed in a -IGZO. Specifically, the diffusion of hydrogen and oxygen is connected to positive- and negative-bias stresses, while negative-bias illumination stress originates from the formation of peroxides.

Processing-dependent thermal stability of a prototypical amorphous metal oxide

Science.gov (United States)

Zeng, Li; Moghadam, Mahyar M.; Buchholz, D. Bruce; Li, Ran; Keane, Denis T.; Dravid, Vinayak P.; Chang, Robert P. H.; Voorhees, Peter W.; Marks, Tobin J.; Bedzyk, Michael J.

2018-05-01

Amorphous metal oxides (AMOs) are important candidate materials for fabricating next-generation thin-film transistors. While much attention has been directed toward the synthesis and electrical properties of AMOs, less is known about growth conditions that allow AMOs to retain their desirable amorphous state when subjected to high operating temperatures. Using in situ x-ray scattering and level-set simulations, we explore the time evolution of the crystallization process for a set of amorphous I n2O3 thin films synthesized by pulsed-laser deposition at deposition temperatures (Td) of -50, -25, and 0 °C. The films were annealed isothermally and the degree of crystallinity was determined by a quantitative analysis of the time-evolved x-ray scattering patterns. As expected, for films grown at the same Td, an increase in the annealing temperature TA led to a shorter delay prior to the onset of crystallization, and a faster crystallization rate. Moreover, when lowering the deposition temperature by 25 °C, a 40 °C increase in annealing temperature is needed to achieve the same time interval for the crystals to grow from 10 to 90% volume fraction of the sample. Films grown at Td=0 ∘C exhibited strong cubic texture after crystallization. A level-set method was employed to quantitatively model the texture that develops in the microstructures and to determine key parameters, such as the interface growth velocity, the nucleation density, and the activation energy. The differences observed in the crystallization processes are attributed to the changes in the atomic structure of the oxide and possible nanocrystalline inclusions that formed during the deposition of the amorphous phase.

In search of amorphization-resistant boron carbide

International Nuclear Information System (INIS)

Subhash, Ghatu; Awasthi, Amnaya P.; Kunka, Cody; Jannotti, Phillip; DeVries, Matthew

2016-01-01

Despite its superior mechanical properties, boron carbide suffers from amorphization, a pressure-induced phenomenon that disturbs crystalline order and likely reduces shear strength. Numerous experimental and computational studies have investigated the structure and origins of amorphization, yet strategies to mitigate this deleterious phenomenon elude. However, recent investigations have revealed three new research avenues for addressing this issue. First, we identify crystallographic cage spaces that may accommodate foreign atoms to potentially prevent structural collapse. Second, we propose polymorph-level tailoring through strict control of processing conditions. Finally, we demonstrate that reducing grain size to nanometer scale increases hardness and may counter amorphization.

Amorphous solid dispersions of piroxicam and Soluplus(®): Qualitative and quantitative analysis of piroxicam recrystallization during storage.

Science.gov (United States)

Lust, Andres; Strachan, Clare J; Veski, Peep; Aaltonen, Jaakko; Heinämäki, Jyrki; Yliruusi, Jouko; Kogermann, Karin

2015-01-01

The conversion of active pharmaceutical ingredient (API) from amorphous to crystalline form is the primary stability issue in formulating amorphous solid dispersions (SDs). The aim of the present study was to carry out qualitative and quantitative analysis of the physical solid-state stability of the SDs of poorly water-soluble piroxicam (PRX) and polyvinyl caprolactam-polyvinyl acetate-polyethylene-glycol graft copolymer (Soluplus(®)). The SDs were prepared by a solvent evaporation method and stored for six months at 0% RH/6 °C, 0% RH/25 °C, 40% RH/25 °C and 75% RH/25 °C. Fourier transform infrared spectroscopy equipped with attenuated total reflection accessory (ATR-FTIR) and Raman spectroscopy were used for characterizing the physical solid-state changes and drug-polymer interactions. The principal component analysis (PCA) and multivariate curve resolution alternating least squares (MCR-ALS) were used for the qualitative and quantitative analysis of Raman spectra collected during storage. When stored at 0% RH/6 °C and at 0% RH/25 °C, PRX in SDs remained in an amorphous form since no recrystallization was observed by ATR-FTIR and Raman spectroscopy. Raman spectroscopy coupled with PCA and MCR-ALS and ATR-FTIR spectroscopy enabled to detect the recrystallization of amorphous PRX in the samples stored at higher humidity. Copyright © 2015 Elsevier B.V. All rights reserved.

Challenges in amorphous silicon solar cell technology

NARCIS (Netherlands)

Swaaij, van R.A.C.M.M.; Zeman, M.; Korevaar, B.A.; Smit, C.; Metselaar, J.W.; Sanden, van de M.C.M.

2000-01-01

Hydrogenated amorphous silicon is nowadays extensively used for a range of devices, amongst others solar cells, Solar cell technology has matured over the last two decades and resulted in conversion efficiencies in excess of 15%. In this paper the operation of amorphous silicon solar cells is

Surface magnetic structures in amorphous ferromagnetic microwires

Energy Technology Data Exchange (ETDEWEB)

Usov, N.A., E-mail: usov@obninsk.ru [National University of Science and Technology «MISIS», 119049 Moscow (Russian Federation); Pushkov Institute of Terrestrial Magnetism, Ionosphere and Radio Wave Propagation, Russian Academy of Sciences, IZMIRAN, 108840 Troitsk, Moscow (Russian Federation); Serebryakova, O.N.; Gudoshnikov, S.A. [National University of Science and Technology «MISIS», 119049 Moscow (Russian Federation); Pushkov Institute of Terrestrial Magnetism, Ionosphere and Radio Wave Propagation, Russian Academy of Sciences, IZMIRAN, 108840 Troitsk, Moscow (Russian Federation); Tarasov, V.P. [National University of Science and Technology «MISIS», 119049 Moscow (Russian Federation)

2017-05-01

The spatial period of magnetization perturbations that occur near the surface of magnetic nanotube or nanowire under the influence of surface magnetic anisotropy is determined by means of numerical simulation as a function of the sample geometry and material parameters. The surface magnetization distribution obtained is then used to estimate the period of the surface magnetic texture in amorphous microwire of several micrometers in diameter by means of appropriate variational procedure. The period of the surface magnetic texture in amorphous microwire is found to be significantly smaller than the wire diameter. - Highlights: • Magnetic structure may arise near the magnetic nanotube surface under the influence of surface magnetic anisotropy. • The period of the surface magnetization pattern is calculated as a function of the sample geometry. • Similar magnetic structure may exist in amorphous microwire of several micrometers in diameter. • The period of the surface magnetic structure in amorphous wire is found to be significantly smaller than the wire diameter.

Inverted amorphous silicon solar cell utilizing cermet layers

Science.gov (United States)

Hanak, Joseph J.

1979-01-01

An amorphous silicon solar cell incorporating a transparent high work function metal cermet incident to solar radiation and a thick film cermet contacting the amorphous silicon opposite to said incident surface.

Magneto x-ray study of a gadolinium-iron amorphous alloy

International Nuclear Information System (INIS)

Keller, E.N.

1985-01-01

This work reports the measurement of the magnetic x-ray absorption of an amorphous Gd-Fe ferrimagnetic thin film. The Gd to Fe concentration in the sample was 1:4. The magnetic x-ray effect is the x-ray analog of magneto-optic absorption effects. Magneto x-ray effects arise when a solid has different indices of refraction for right and left circularly polarized x-rays. The difference in absorption of left and right circularly polarized x-rays is called the magneto x-ray absorption. This absorption is proportional to the net spin of the final state density of states. At the L3 edge, the main x-ray transition is from initial Gd(2p) core states to final Gd(5d) unoccupied states. Since the 5d states have a net spin polarization in ferromagnetic Gd, this experiment hoped to directly observe how that polarization changes for Gd in the alloy. The magneto x-ray absorption at the Gd L3 edge will be proportional to the sign and amount of the net spin polarization of the 5d electrons. The magnetic x-ray absorption coefficient was found to be at least 0.0005 smaller than the linear absorption coefficient at the Gd white line energy. This was measured for the amorphous alloy at room temperature. Lock-in techniques were used to obtain the small limit to the absorption. A simple model for the size of the magnetic x-ray absorption coefficient in Gd suggests that the Gd(5d) net spin polarization is less than 0.01 Bohr magnetons per atom

Research Progress on Laser Cladding Amorphous Coatings on Metallic Substrates

Directory of Open Access Journals (Sweden)

CHEN Ming-hui

2017-01-01

Full Text Available The microstructure and property of amorphous alloy as well as the limitations of the traditional manufacturing methods for the bulk amorphous alloy were briefly introduced in this paper.Combined with characteristics of the laser cladding technique,the research status of the laser cladding Fe-based,Zr-based,Ni-based,Cu-based and Al-based amorphous coatings on the metal substrates were mainly summarized.The effects of factors such as laser processing parameter,micro-alloying element type and content and reinforcing phase on the laser cladding amorphous coatings were also involved.Finally,the main problems and the future research directions of the composition design and control of the laser-cladded amorphous coating,the design and optimization of the laser cladding process,and the basic theory of the laser cladding amorphous coatings were also put forward finally.

Short range ordering and microstructure property relationship in amorphous alloys

Energy Technology Data Exchange (ETDEWEB)

Shariq, A.

2006-07-01

A novel algorithm, ''Next Neighbourhood Evaluation (NNE)'', is enunciated during the course of this work, to elucidate the next neighbourhood atomic vicinity from the data, analysed using tomographic atom probe (TAP) that allows specifying atom positions and chemical identities of the next neighbouring atoms for multicomponent amorphous materials in real space. The NNE of the Pd{sub 55}Cu{sub 23}P{sub 22} bulk amorphous alloy reveals that the Pd atoms have the highest probability to be the next neighbours to each other. Moreover, P-P correlation corroborates earlier investigations with scattering techniques that P is not a direct next neighbour to another P atom. Analogous investigations on the Fe{sub 40}Ni{sub 40}B{sub 20} metallic glass ribbons, in the as quenched state and for a state heat treated at 350 C for 1 hour insinuate a pronounced elemental inhomogeneity for the annealed state, though, it also depicts glimpse of a slight inhomogeneity for B distribution even for the as quenched sample. Moreover, a comprehensive microstructural investigation has been carried out on the Zr{sub 53}Co{sub 23.5}Al{sub 23.5} glassy system. TEM and TAP investigations evince that the as cast bulk samples constitutes a composite structure of an amorphous phase and crystalline phase(s). The crystallization is essentially triggered at the mould walls due to heterogeneous nucleation. The three dimensional atomic reconstruction maps of the volume analysed by TAP reveal a complex stereological interconnected network of two phases. The phase that is rich in Zr and Al concentration is depleted in Co concentration while the phase that is rich in Co concentration is depleted both in Zr and Al. Zr{sub 53}Co{sub 23.5}Al{sub 23.5} glassy splat samples exhibit a single exothermic crystallization peak contrary to the as cast bulk sample with a different T{sub g} temperature. A single homogeneous amorphous phase revealed by TEM investigations depicts that the faster cooling

Amorphous silicon radiation detectors

Science.gov (United States)

Street, Robert A.; Perez-Mendez, Victor; Kaplan, Selig N.

1992-01-01

Hydrogenated amorphous silicon radiation detector devices having enhanced signal are disclosed. Specifically provided are transversely oriented electrode layers and layered detector configurations of amorphous silicon, the structure of which allow high electric fields upon application of a bias thereby beneficially resulting in a reduction in noise from contact injection and an increase in signal including avalanche multiplication and gain of the signal produced by incoming high energy radiation. These enhanced radiation sensitive devices can be used as measuring and detection means for visible light, low energy photons and high energy ionizing particles such as electrons, x-rays, alpha particles, beta particles and gamma radiation. Particular utility of the device is disclosed for precision powder crystallography and biological identification.

Dynamics anomaly in high-density amorphous ice between 0.7 and 1.1 GPa

Science.gov (United States)

Handle, Philip H.; Loerting, Thomas

2016-02-01

We studied high-density amorphous ices between 0.004 and 1.6 GPa by isobaric in situ volumetry and by subsequent ex situ x-ray diffraction and differential scanning calorimetry at 1 bar. Our observations indicate two processes, namely, relaxation in the amorphous matrix and crystallization, taking place at well-separated time scales. For this reason, we are able to report rate constants of crystallization kX and glass-transition temperatures Tg in an unprecedented pressure range. Tg's agree within ±3 K with earlier work in the small pressure range where there is overlap. Both Tg and kX show a pressure anomaly between 0.7 and 1.1 GPa, namely, a kX minimum and a Tg maximum. This anomalous pressure dependence suggests a continuous phase transition from high- (HDA) to very-high-density amorphous ice (VHDA) and faster hydrogen bond dynamics in VHDA. We speculate this phenomenology can be rationalized by invoking the crossing of a Widom line between 0.7 and 1.1 GPa emanating from a low-lying HDA-VHDA critical point. Furthermore, we interpret the volumetric relaxation of the amorphous matrix to be accompanied by viscosity change to explain the findings such that the liquid state can be accessed prior to the crystallization temperature TX at 0.8 GPa.

Molecular origins of anisotropic shock propagation in crystalline and amorphous polyethylene

Science.gov (United States)

O'Connor, Thomas C.; Elder, Robert M.; Sliozberg, Yelena R.; Sirk, Timothy W.; Andzelm, Jan W.; Robbins, Mark O.

2018-03-01

Molecular dynamics simulations are used to analyze shock propagation in amorphous and crystalline polyethylene. Results for the shock velocity Us are compared to predictions from Pastine's equation of state and hydrostatic theory. The results agree with Pastine at high impact velocities. At low velocities the yield stress becomes important, increasing the shock velocity and leading to anisotropy in the crystalline response. Detailed analysis of changes in atomic order reveals the origin of the anisotropic response. For shock along the polymer backbone, an elastic front is followed by a plastic front where chains buckle with a characteristic wavelength. Shock perpendicular to the chain backbone can produce plastic deformation or transitions to different orthorhombic or monoclinic structures, depending on the impact speed and direction. Tensile loading does not produce stable shocks: Amorphous systems craze and fracture while for crystals the front broadens linearly with time.

Transformation processes during annealing of Al-amorphous alloys

International Nuclear Information System (INIS)

Petrescu, N.; Petrescu, M.; Calin, M.; Jianu, A.D.; Fecioru, M.

1993-01-01

As the amorphous aluminum alloys represent the newest achievement in rapid solidification of Al-based high strength heat resistent materials, a study was undertaken on the amorphous alloys in the Al-RE-TM system, the rare-earth metal being a lanthanide mixture and the transition metal a Ni-Fe substitution in definite proportions. The decomposition on heating of the most highly alloyed amorphous alloy in the investigated series is characterized by differential thermal analysis, electron microscopy and X-ray diffraction. (orig.)

Transformation processes during annealing of Al-amorphous alloys

Energy Technology Data Exchange (ETDEWEB)

Petrescu, N. (Polytechnic Inst. Bucharest, Faculty Materials Science and Engineering, Bucharest (Romania)); Petrescu, M. (Polytechnic Inst. Bucharest, Faculty Materials Science and Engineering, Bucharest (Romania)); Calin, M. (Polytechnic Inst. Bucharest, Faculty Materials Science and Engineering, Bucharest (Romania)); Jianu, A.D. (Polytechnic Inst. Bucharest, Faculty Materials Science and Engineering, Bucharest (Romania) IFTM-Bucharest (Romania)); Fecioru, M. (Polytechnic Inst. Bucharest, Faculty Materials Science and Engineering, Bucharest (Romania) DACIA Enterprise-Bucharest (Romania))

1993-11-01

As the amorphous aluminum alloys represent the newest achievement in rapid solidification of Al-based high strength heat resistent materials, a study was undertaken on the amorphous alloys in the Al-RE-TM system, the rare-earth metal being a lanthanide mixture and the transition metal a Ni-Fe substitution in definite proportions. The decomposition on heating of the most highly alloyed amorphous alloy in the investigated series is characterized by differential thermal analysis, electron microscopy and X-ray diffraction. (orig.).

Amorphization of C-implanted Fe(Cr) alloys

International Nuclear Information System (INIS)

Knapp, J.A.; Follstaedt, D.M.; Sorensen, N.R.; Pope, L.E.

1991-01-01

The amorphous phase formed by implanting C into Fe alloyed with Cr, which is a prototype for the amorphous phase formed by implanting C into stainless steels, is compared to that formed by implanting C and Ti into Fe and steels. The composition range of the phase has been examined; higher Cr and C concentrations are required than needed with Ti and C. The friction and wear benefits obtained by implanting stainless steels with C only do not persist for the long durations and high wear loads found with Ti and C. However, the amorphous Fe-Cr-C alloys exhibit good aqueous corrosion resistance. (orig.)

Structure of a new dense amorphous ice

International Nuclear Information System (INIS)

Finney, J.L.; Bowron, D.T.; Soper, A.K.; Loerting, T.; Mayer, E.; Hallbrucker, A.

2002-01-01

The detailed structure of a new dense amorphous ice, VHDA, is determined by isotope substitution neutron diffraction. Its structure is characterized by a doubled occupancy of the stabilizing interstitial location that was found in high density amorphous ice, HDA. As would be expected for a thermally activated unlocking of the stabilizing 'interstitial', the transition from VHDA to LDA (low-density amorphous ice) is very sharp. Although its higher density makes VHDA a better candidate than HDA for a physical manifestation of the second putative liquid phase of water, as for the HDA case, the VHDA to LDA transition also appears to be kinetically controlled

Peculiarities of Vibration Characteristics of Amorphous Ices

Science.gov (United States)

Gets, Kirill V.; Subbotin, Oleg S.; Belosludov, Vladimir R.

2012-03-01

Dynamic properties of low (LDA), high (HDA) and very high (VHDA) density amorphous ices were investigated within the approach based on Lattice Dynamics simulations. In this approach, we assume that the short-range molecular order mainly determines the dynamic and thermodynamic properties of amorphous ices. Simulation cell of 512 water molecules with periodical boundary conditions and disordering allows us to study dynamical properties and dispersion curves in the Brillouin zone of pseudo-crystal. Existence of collective phenomena in amorphous ices which is usual for crystals but anomalous for disordered phase was confirmed in our simulations. Molecule amplitudes of delocalized (collective) as well as localized vibrations have been considered.

Amorphous magnetism in Mnx Sn1-x alloys

International Nuclear Information System (INIS)

Drago, V.; Saitovitch, E.M.B.; Abd-Elmeguid, M.M.

1988-01-01

Systematic low temperature in situ 119 Sn Moessbauer effect (ME) studies in vapor quenched amorphous Mn x Sn 1-x (0.09≤ x ≤0,95) alloys between 150 and 4.2 K, are presented. Its is shown that the magnetic behavior of the system is correctly displayed by the transferred magnetic hyperfine (hf) interactions, at the 119 Sn site. A complete magnetic phase diagram is proposed, and the effect of an external magnetic field (up to about 3T) on the spin correlations in the spin-glass state is also discussed. (author) [pt

Amorphization of thiamine chloride hydrochloride: A study of the crystallization inhibitor properties of different polymers in thiamine chloride hydrochloride amorphous solid dispersions.

Science.gov (United States)

Arioglu-Tuncil, Seda; Bhardwaj, Vivekanand; Taylor, Lynne S; Mauer, Lisa J

2017-09-01

Amorphous solid dispersions of thiamine chloride hydrochloride (THCl) were created using a variety of polymers with different physicochemical properties in order to investigate how effective the various polymers were as THCl crystallization inhibitors. THCl:polymer dispersions were prepared by lyophilizing solutions of THCl and amorphous polymers (guar gum, pectin, κ-carrageenan, gelatin, and polyvinylpyrrolidone (PVP)). These dispersions were stored at select temperature (25 and 40°C) and relative humidity (0, 23, 32, 54, 75, and 85% RH) conditions and monitored at different time points using powder X-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FTIR), and differential scanning calorimetry (DSC). Moisture sorption isotherms of all samples were also obtained. Initially amorphous THCl was produced in the presence of ≥40% w/w pectin, κ-carrageenan, gelatin, and guar gum or ≥60% w/w PVP. Trends in polymer THCl crystallization inhibition (pectin≥κ-carrageenan>gelatin>guar gum≫PVP) were primarily based on the ability of the polymer to interact with THCl via hydrogen bonding and/or ionic interactions. The onset of THCl crystallization from the amorphous dispersions was also related to storage conditions. THCl remained amorphous at low RH conditions (0 and 23% RH) in all 1:1 dispersions except THCl:PVP. THCl crystallized in some dispersions below the glass transition temperature (T g ) but remained amorphous in others at T~T g . At high RHs (75 and 85% RH), THCl crystallized within one day in all samples. Given the ease of THCl amorphization in the presence of a variety of polymers, even at higher vitamin concentrations than would be found in foods, it is likely that THCl is amorphous in many low moisture foods. Copyright © 2017 Elsevier Ltd. All rights reserved.

Charge ordering in amorphous WOx films

International Nuclear Information System (INIS)

Kopelevich, Yakov; Silva, Robson R. da; Rougier, Aline; Luk'yanchuk, Igor A.

2008-01-01

We observed highly anisotropic viscous electronic conducting phase in amorphous WO 1.55 films that occurs below a current (I)- and frequency (f)-dependent temperature T*(I, f). At T< T*(I, f) the rotational symmetry of randomly disordered electronic background is broken leading to the appearance of mutually perpendicular metallic- and insulating-like states. A rich dynamic behavior of the electronic matter occurring at T< T*(I, f) provides evidence for an interplay between pinning effects and electron-electron interactions. The results suggest a dynamic crystallization of the disordered electronic matter, viz. formation of sliding Wigner crystal, as well as the occurrence of quantum liquid-like crystal or stripe phase at low drives

Characteristics of RuO{sub 2}-SnO{sub 2} nanocrystalline-embedded amorphous electrode for thin film microsupercapacitors

Energy Technology Data Exchange (ETDEWEB)

Kim, Han-Ki [Core Technology Laboratory, Samsung SDI, 575 Shin-dong, Youngtong-Gu, Suwon, Gyeonggi-Do 442-391 (Korea, Republic of)]. E-mail: hanki1031.kim@samsung.com; Choi, Sun-Hee [Nano Materials Research Center, Korea Institute of Science and Technology (KIST), PO Box 131 Choengryang, Seoul 130-650 (Korea, Republic of); Yoon, Young Soo [Department of Advanced Fusion Technology (DAFT), Konkuk University, 1 Hwayang-dong, Gwangjin-gu, Seoul 143-701 (Korea, Republic of); Chang, Sung-Yong [Department of Materials Science and Engineering, Gwangju Institute of Science and Technology (GIST), Kwangju 500-712 (Korea, Republic of); Ok, Young-Woo [Department of Materials Science and Engineering, Gwangju Institute of Science and Technology (GIST), Kwangju 500-712 (Korea, Republic of); Seong, Tae-Yeon [Department of Materials Science and Engineering, Gwangju Institute of Science and Technology (GIST), Kwangju 500-712 (Korea, Republic of)

2005-03-22

The characteristics of RuO{sub 2}-SnO{sub 2} nanocrystalline-embedded amorphous electrode, grown by DC reactive sputtering, was investigated. X-ray diffraction (XRD), transmission electron microscopy (TEM), and transmission electron diffraction (TED) examination results showed that Sn and Ru metal cosputtered electrode in O{sub 2}/Ar ambient have RuO{sub 2}-SnO{sub 2} nanocrystallines in an amorphous oxide matrix. It is shown that the cyclic voltammorgram (CV) result of the RuO{sub 2}-SnO{sub 2} nanocrystalline-embedded amorphous film in 0.5 M H{sub 2}SO{sub 4} liquid electrolyte is similar to a bulk-type supercapacitor behavior with a specific capacitance of 62.2 mF/cm{sup 2} {mu}m. This suggests that the RuO{sub 2}-SnO{sub 2} nanocrystalline-embedded amorphous film can be employed in hybrid all-solid state energy storage devises as an electrode of supercapacitor.

Amorphous silicon detectors in positron emission tomography

Energy Technology Data Exchange (ETDEWEB)

Conti, M. (Istituto Nazionale di Fisica Nucleare, Pisa (Italy) Lawrence Berkeley Lab., CA (USA)); Perez-Mendez, V. (Lawrence Berkeley Lab., CA (USA))

1989-12-01

The physics of the detection process is studied and the performances of different Positron Emission Tomography (PET) system are evaluated by theoretical calculation and/or Monte Carlo Simulation (using the EGS code) in this paper, whose table of contents can be summarized as follows: a brief introduction to amorphous silicon detectors and some useful equation is presented; a Tantalum/Amorphous Silicon PET project is studied and the efficiency of the systems is studied by Monte Carlo Simulation; two similar CsI/Amorphous Silicon PET projects are presented and their efficiency and spatial resolution are studied by Monte Carlo Simulation, light yield and time characteristics of the scintillation light are discussed for different scintillators; some experimental result on light yield measurements are presented; a Xenon/Amorphous Silicon PET is presented, the physical mechanism of scintillation in Xenon is explained, a theoretical estimation of total light yield in Xenon and the resulting efficiency is discussed altogether with some consideration of the time resolution of the system; the amorphous silicon integrated electronics is presented, total noise and time resolution are evaluated in each of our applications; the merit parameters {epsilon}{sup 2}{tau}'s are evaluated and compared with other PET systems and conclusions are drawn; and a complete reference list for Xenon scintillation light physics and its applications is presented altogether with the listing of the developed simulation programs.

Amorphous silicon detectors in positron emission tomography

International Nuclear Information System (INIS)

Conti, M.; Perez-Mendez, V.

1989-12-01

The physics of the detection process is studied and the performances of different Positron Emission Tomography (PET) system are evaluated by theoretical calculation and/or Monte Carlo Simulation (using the EGS code) in this paper, whose table of contents can be summarized as follows: a brief introduction to amorphous silicon detectors and some useful equation is presented; a Tantalum/Amorphous Silicon PET project is studied and the efficiency of the systems is studied by Monte Carlo Simulation; two similar CsI/Amorphous Silicon PET projects are presented and their efficiency and spatial resolution are studied by Monte Carlo Simulation, light yield and time characteristics of the scintillation light are discussed for different scintillators; some experimental result on light yield measurements are presented; a Xenon/Amorphous Silicon PET is presented, the physical mechanism of scintillation in Xenon is explained, a theoretical estimation of total light yield in Xenon and the resulting efficiency is discussed altogether with some consideration of the time resolution of the system; the amorphous silicon integrated electronics is presented, total noise and time resolution are evaluated in each of our applications; the merit parameters ε 2 τ's are evaluated and compared with other PET systems and conclusions are drawn; and a complete reference list for Xenon scintillation light physics and its applications is presented altogether with the listing of the developed simulation programs

An amorphous silicon photodiode with 2 THz gain-bandwidth product based on cycling excitation process

Science.gov (United States)

Yan, Lujiang; Yu, Yugang; Zhang, Alex Ce; Hall, David; Niaz, Iftikhar Ahmad; Raihan Miah, Mohammad Abu; Liu, Yu-Hsin; Lo, Yu-Hwa

2017-09-01

Since impact ionization was observed in semiconductors over half a century ago, avalanche photodiodes (APDs) using impact ionization in a fashion of chain reaction have been the most sensitive semiconductor photodetectors. However, APDs have relatively high excess noise, a limited gain-bandwidth product, and high operation voltage, presenting a need for alternative signal amplification mechanisms of superior properties. As an amplification mechanism, the cycling excitation process (CEP) was recently reported in a silicon p-n junction with subtle control and balance of the impurity levels and profiles. Realizing that CEP effect depends on Auger excitation involving localized states, we made the counter intuitive hypothesis that disordered materials, such as amorphous silicon, with their abundant localized states, can produce strong CEP effects with high gain and speed at low noise, despite their extremely low mobility and large number of defects. Here, we demonstrate an amorphous silicon low noise photodiode with gain-bandwidth product of over 2 THz, based on a very simple structure. This work will impact a wide range of applications involving optical detection because amorphous silicon, as the primary gain medium, is a low-cost, easy-to-process material that can be formed on many kinds of rigid or flexible substrates.

Structural characterization of amorphous Fe-Si and its recrystallized layers

International Nuclear Information System (INIS)

Naito, Muneyuki; Ishimaru, Manabu; Hirotsu, Yoshihiko; Valdez, James A.; Sickafus, Kurt E.

2006-01-01

We have synthesized amorphous Fe-Si thin layers and investigated their microstructure using transmission electron microscopy (TEM). Si single crystals with (1 1 1) orientation were irradiated with 120 keV Fe + ions to a fluence of 4.0 x 10 17 cm -2 at cryogenic temperature (120 K), followed by thermal annealing at 1073 K for 2 h. A continuous amorphous layer with a bilayered structure was formed on the topmost layer of the Si substrate in the as-implanted specimen: the upper layer was an amorphous Fe-Si, while the lower one was an amorphous Si. After annealing, the amorphous bilayer crystallized into a continuous β-FeSi 2 thin layer

A new structural relaxation pathway of low-density amorphous ice

Energy Technology Data Exchange (ETDEWEB)

Shephard, Jacob J.; Vickers, Martin; Salzmann, Christoph G., E-mail: c.salzmann@ucl.ac.uk [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom); Klotz, Stefan [IMPMC, CNRS UMR7590, Université Pierre et Marie Curie, 4 Place Jussieu, 75252 Paris (France)

2016-05-28

Low-density amorphous (LDA) ice is involved in critical cosmological processes and has gained prominence as one of the at least two distinct amorphous forms of ice. Despite these accolades, we still have an incomplete understanding of the structural diversity that is encompassed within the LDA state and the dynamic processes that take place upon heating LDA. Heating the high-pressure ice VIII phase at ambient pressure is a remarkable example of temperature-induced amorphisation yielding LDA. We investigate this process in detail using X-ray diffraction and Raman spectroscopy and show that the LDA obtained from ice VIII is structurally different from the more “traditional” states of LDA which are approached upon thermal annealing. This new structural relaxation pathway involves an increase of structural order on the intermediate range length scale. In contrast with other LDA materials the local structure is more ordered initially and becomes slightly more disordered upon annealing. We also show that the cascade of phase transitions upon heating ice VIII at ambient pressure includes the formation of ice IX which may be connected with the structural peculiarities of LDA from ice VIII. Overall, this study shows that LDA is a structurally more diverse material than previously appreciated.

Excessively High Vapor Pressure of Al-based Amorphous Alloys

Directory of Open Access Journals (Sweden)

Jae Im Jeong

2015-10-01

Full Text Available Aluminum-based amorphous alloys exhibited an abnormally high vapor pressure at their approximate glass transition temperatures. The vapor pressure was confirmed by the formation of Al nanocrystallites from condensation, which was attributed to weight loss of the amorphous alloys. The amount of weight loss varied with the amorphous alloy compositions and was inversely proportional to their glass-forming ability. The vapor pressure of the amorphous alloys around 573 K was close to the vapor pressure of crystalline Al near its melting temperature, 873 K. Our results strongly suggest the possibility of fabricating nanocrystallites or thin films by evaporation at low temperatures.

Amorphization of metals by ion implantation and ion beam mixing

International Nuclear Information System (INIS)

Rauschenbach, B.; Heera, V.

1988-01-01

Amorphous metallic systems can be formed either by high-fluence ion implantation of glassforming species or by irradiation of layered metal systems with inert gas ions. Both techniques and experimental examples are presented. Empirical rules are discussed which predict whether a given system can be transformed into an amorphous phase. Influence of temperature, implantation dose and pre-existing crystalline metal composition on amorphization is considered. Examples are given of the implantation induced amorphous structure, recrystallization and formation of quasicrystalline structures. (author)

Momentum-dependent excitation processes in crystalline and amorphous films of conjugated oligomers

International Nuclear Information System (INIS)

Zojer, E.; Knupfer, M.; Shuai, Z.; Fink, J.; Bredas, J.L.; Hoerhold, H.-H.; Grimme, J.; Scherf, U.; Benincori, T.; Leising, G.

2000-01-01

The electronic structure of periodic materials is usually described on the basis of band-structure models, in which each state is not only characterized by its energy but also by the corresponding electron momentum. In this paper we present investigations of momentum-dependent excitation processes in a number of molecular crystals and amorphous thin films. For our studies we have chosen ladder-type quinquephenyl (5LP), distyrylbenzene (3PV), a substituted quinquephenylenevinylene (5PV), and a bridged quarterthienyl (4TB). These substances are representative for several classes of conjugated organic materials. Their physical properties are dominated by the molecular building blocks. The investigated films, however, also allow us to study differences in the characteristics of crystalline (3PV and 4TB), partly amorphous (5LP) and fully amorphous (5PV) systems. Momentum-dependent excitations are induced by inelastic electron scattering in electron-energy-loss spectroscopy (EELS) experiments. The experimental data are compared to molecule based post-Hartree-Fock quantum-chemical simulations performed with the intermediate neglect of differential overlap (INDO) approach coupled to a configuration interaction (CI) technique applying the proper momentum-dependent transition matrix elements. Our results show that even in relatively small systems the molecular electronic states can be characterized by an associated range in momentum space. In addition, differences between inelastic electron scattering spectra for low values of momentum transfer and the optical data obtained for the crystalline samples underline the strong impact of light propagation on the absorption characteristics of highly anisotropic crystalline materials

Polarized Raman spectroscopic study of relaxed high density amorphous ices under pressure.

Science.gov (United States)

Suzuki, Yoshiharu; Tominaga, Yasunori

2010-10-28

We have made high density amorphous ice (HDA) by the pressure-induced amorphization of hexagonal ice at 77 K and measured the volume change on isobaric heating in a pressure range between 0.1 and 1.5 GPa. The volume of HDA on heating below ∼0.35 GPa increases, while the volume of HDA on heating above ∼0.35 GPa decreases. The polarized OH-stretching Raman spectra of the relaxed HDAs are compared with that of the unannealed HDA. The relaxed HDAs are prepared at 0.2 GPa at 130 K and 1.5 GPa at 160 K. It is found that the relatively strong totally symmetric OH-stretching vibration mode around 3100 cm(-1) exists in the depolarized reduced Raman spectrum χ(VH)(") of the unannealed HDA and that its intensity rapidly decreases by relaxation. The χ(VH)(") profiles of the relaxed HDA are similar to those of liquid water. These results indicate that the HDA reaches a nearly equilibrium state by annealing and the intrinsic state of HDA relates to a liquid state. The pressure-volume curve of the relaxed HDA at 140 K seems to be smooth in the pressure range below 1.5 GPa.

Health hazards due to the inhalation of amorphous silica

Energy Technology Data Exchange (ETDEWEB)

Merget, R.; Bruening, T. [Research Institute for Occupational Medicine (BGFA), Bochum (Germany); Bauer, T. [Bergmannsheil, University Hospital, Department of Internal Medicine, Division of Pneumonology, Allergology and Sleep Medicine, Bochum (Germany); Kuepper, H.U.; Breitstadt, R. [Degussa-Huels Corp., Wesseling (Germany); Philippou, S. [Department of Pathology, Augusta Krankenanstalten, Bochum (Germany); Bauer, H.D. [Research Institute for Hazardous Substances (IGF), Bochum (Germany)

2002-01-01

Occupational exposure to crystalline silica dust is associated with an increased risk for pulmonary diseases such as silicosis, tuberculosis, chronic bronchitis, chronic obstructive pulmonary disease (COPD) and lung cancer. This review summarizes the current knowledge about the health effects of amorphous (non-crystalline) forms of silica. The major problem in the assessment of health effects of amorphous silica is its contamination with crystalline silica. This applies particularly to well-documented pneumoconiosis among diatomaceous earth workers. Intentionally manufactured synthetic amorphous silicas are without contamination of crystalline silica. These synthetic forms may be classified as (1) wet process silica, (2) pyrogenic (''thermal'' or ''fumed'') silica, and (3) chemically or physically modified silica. According to the different physico-chemical properties, the major classes of synthetic amorphous silica are used in a variety of products, e.g. as fillers in the rubber industry, in tyre compounds, as free-flow and anti-caking agents in powder materials, and as liquid carriers, particularly in the manufacture of animal feed and agrochemicals; other uses are found in toothpaste additives, paints, silicon rubber, insulation material, liquid systems in coatings, adhesives, printing inks, plastisol car undercoats, and cosmetics. Animal inhalation studies with intentionally manufactured synthetic amorphous silica showed at least partially reversible inflammation, granuloma formation and emphysema, but no progressive fibrosis of the lungs. Epidemiological studies do not support the hypothesis that amorphous silicas have any relevant potential to induce fibrosis in workers with high occupational exposure to these substances, although one study disclosed four cases with silicosis among subjects exposed to apparently non-contaminated amorphous silica. Since the data have been limited, a risk of chronic bronchitis, COPD or

Health hazards due to the inhalation of amorphous silica

International Nuclear Information System (INIS)

Merget, R.; Bruening, T.; Bauer, T.; Kuepper, H.U.; Breitstadt, R.; Philippou, S.; Bauer, H.D.

2002-01-01

Occupational exposure to crystalline silica dust is associated with an increased risk for pulmonary diseases such as silicosis, tuberculosis, chronic bronchitis, chronic obstructive pulmonary disease (COPD) and lung cancer. This review summarizes the current knowledge about the health effects of amorphous (non-crystalline) forms of silica. The major problem in the assessment of health effects of amorphous silica is its contamination with crystalline silica. This applies particularly to well-documented pneumoconiosis among diatomaceous earth workers. Intentionally manufactured synthetic amorphous silicas are without contamination of crystalline silica. These synthetic forms may be classified as (1) wet process silica, (2) pyrogenic (''thermal'' or ''fumed'') silica, and (3) chemically or physically modified silica. According to the different physico-chemical properties, the major classes of synthetic amorphous silica are used in a variety of products, e.g. as fillers in the rubber industry, in tyre compounds, as free-flow and anti-caking agents in powder materials, and as liquid carriers, particularly in the manufacture of animal feed and agrochemicals; other uses are found in toothpaste additives, paints, silicon rubber, insulation material, liquid systems in coatings, adhesives, printing inks, plastisol car undercoats, and cosmetics. Animal inhalation studies with intentionally manufactured synthetic amorphous silica showed at least partially reversible inflammation, granuloma formation and emphysema, but no progressive fibrosis of the lungs. Epidemiological studies do not support the hypothesis that amorphous silicas have any relevant potential to induce fibrosis in workers with high occupational exposure to these substances, although one study disclosed four cases with silicosis among subjects exposed to apparently non-contaminated amorphous silica. Since the data have been limited, a risk of chronic bronchitis, COPD or emphysema cannot be excluded. There is no

Crystallization-induced plasticity of Cu-Zr containing bulk amorphous alloys

International Nuclear Information System (INIS)

Lee, Seok-Woo; Huh, Moo-Young; Fleury, Eric; Lee, Jae-Chul

2006-01-01

This study examined the parameter governing the plasticity observed in various Cu-Zr containing monolithic amorphous alloys. All the alloys were fully amorphous in their as-cast condition but exhibited different plastic strains. Microscopic observations of the quasi-statically compressed alloys showed abundant nanocrystallites in the amorphous matrices in the alloys that exhibited pronounced plasticity. On the other hand, insignificant changes in the microstructure were observed in the alloy that did not show plasticity. The mechanism for the formation of these deformation-induced nanocrystallites was examined from the viewpoints of thermodynamics and kinetics. The role of the deformation-induced nanocrystallites on the plasticity of the amorphous alloy was examined using high-resolution transmission electron microscopy. The results demonstrate that compressive loading facilitates nanocrystallization in monolithic Cu-Zr containing amorphous alloys, resulting in plasticity. The parameter governing the plasticity in these monolithic Cu-Zr containing amorphous alloys lies in the activation energy for the overall crystallization process

In situ observation of shear-driven amorphization in silicon crystals

Energy Technology Data Exchange (ETDEWEB)

He, Yang; Zhong, Li; Fan, Feifei; Wang, Chongmin; Zhu, Ting; Mao, Scott X.

2016-09-19

Amorphous materials have attracted great interest in the scientific and technological fields. An amorphous solid usually forms under the externally driven conditions of melt-quenching, irradiation and severe mechanical deformation. However, its dynamic formation process remains elusive. Here we report the in situ atomic-scale observation of dynamic amorphization processes during mechanical straining of nanoscale silicon crystals by high resolution transmission electron microscopy (HRTEM). We observe the shear-driven amorphization (SDA) occurring in a dominant shear band. The SDA involves a sequence of processes starting with the shear-induced diamond-cubic to diamond-hexagonal phase transition that is followed by dislocation nucleation and accumulation in the newly formed phase, leading to the formation of amorphous silicon. The SDA formation through diamond-hexagonal phase is rationalized by its structural conformity with the order in the paracrystalline amorphous silicon, which maybe widely applied to diamond-cubic materials. Besides, the activation of SDA is orientation-dependent through the competition between full dislocation nucleation and partial gliding.

Generic origin of subgap states in transparent amorphous semiconductor oxides illustrated for the cases of In-Zn-O and In-Sn-O

Energy Technology Data Exchange (ETDEWEB)

Koerner, Wolfgang; Urban, Daniel F.; Elsaesser, Christian [Fraunhofer Institute for Mechanics of Materials IWM, Woehlerstr. 11, 79108, Freiburg (Germany)

2015-07-15

We present a microscopic interpretation for the appearance and behaviour of subgap states in stoichiometric and oxygen-deficient, amorphous In-Zn-O (a-IZO) and In-Sn-O (a-ITO) derived from a density functional theory analysis using a self-interaction-correction scheme. Our findings concerning the defect structures and the resulting deep levels are qualitatively similar to earlier results on a-IGZO and a-ZTO and in agreement with recent experimental results. Based on our extensive set of DFT results for In-, Sn-, Zn- based oxides we develop a general concept of the subgap states which is applicable to these systems. Electronic defect levels in the lower half of the band gap are created by undercoordinated oxygen atoms while local oxygen deficiencies cause defect levels in the upper part of the band gap. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Generic origin of subgap states in transparent amorphous semiconductor oxides illustrated for the cases of In-Zn-O and In-Sn-O

International Nuclear Information System (INIS)

Koerner, Wolfgang; Urban, Daniel F.; Elsaesser, Christian

2015-01-01

We present a microscopic interpretation for the appearance and behaviour of subgap states in stoichiometric and oxygen-deficient, amorphous In-Zn-O (a-IZO) and In-Sn-O (a-ITO) derived from a density functional theory analysis using a self-interaction-correction scheme. Our findings concerning the defect structures and the resulting deep levels are qualitatively similar to earlier results on a-IGZO and a-ZTO and in agreement with recent experimental results. Based on our extensive set of DFT results for In-, Sn-, Zn- based oxides we develop a general concept of the subgap states which is applicable to these systems. Electronic defect levels in the lower half of the band gap are created by undercoordinated oxygen atoms while local oxygen deficiencies cause defect levels in the upper part of the band gap. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Resistivity changes of some amorphous alloys undergoing nanocrystallization

Science.gov (United States)

Barandiarán, J. M.; Fernández Barquín, L.; Sal, J. C. Gómez; Gorría, P.; Hernando, A.

1993-10-01

The electrical resistivity of amorphous alloys with compositions: Fe 73.5Nb 3Cu 1Si 13.5B 9, Fe 86Zr 7Cu 1B 6 and Co 80Nb 8B 12 has been studied in the temperature range from 300 to 1100 K, where crystallization occurs. The products of crystallization and the grain size have been studied by X-ray diffraction. In a first step, all the alloys crystallize with small grains of a few nanometers in diameter (nanocrystalline state), and the resistivity behavior at this process accounts for the difference between the amorphous and nanocrystalline phases. The nanocrystalline phases are: α-Fe-Si, α-Fe and fcc Co for the three compounds studied respectively. A second process, at which grain growth and precipitation of intermetallic compounds and borides takes place, has been found for all the alloys. The resistivity is sensitive, not only to the total transformed sample amount, but to the topological distribution of the crystalline phases, and therefore shows a more complex behavior than other well established techniques, as differential scanning calorimetry. This supplementary information given by the resistivity is also discussed.

Synthesis and characterisation of composite based biohydroxyapatite bovine bone mandible waste (BHAp) doped with 10 wt % amorphous SiO{sub 2} from rice husk by solid state reaction

Energy Technology Data Exchange (ETDEWEB)

Asmi, Dwi, E-mail: dwiasmi82@yahoo.com, E-mail: dwi.asmi@fmipa.unila.ac.id; Sulaiman, Ahmad, E-mail: ahmadsulaiman@yahoo.co.id; Oktavia, Irene Lucky, E-mail: ireneluckyo@gmail.com [Department of Physics, Faculty of Mathematics and Natural Sciences, University of Lampung Jl. Sumantri Brojonegoro No.1 Gedung Meneng Bandar Lampung 35145 (Indonesia); Badaruddin, Muhammad, E-mail: mbruddin@eng.unila.ac.id [Department of Mechanical Engineering, Faculty of Engineering, University of Lampung Jl. Sumantri Brojonegoro No.1 Gedung Meneng Bandar Lampung 35145 (Indonesia); Zulfia, Anne, E-mail: anne@metal.ui.ac.id [Department of Metallurgy and Materials Engineering, Faculty of Engineering, University of Indonesia, Kampus Baru-UI, Depok 16424 (Indonesia)

2016-04-19

Effect of 10 wt% amorphous SiO{sub 2} from rice husk addition on the microstructures of biohydroxyapatite (BHAp) obtained from bovine bone was synthesized by solid state reaction. In this study, biohydroxyapatite powder was obtained from bovine bone mandible waste heat treated at 800 °C for 5 h and amorphous SiO{sub 2} powder was extracted from citric acid leaching of rice husk followed by combustion at 700°C for 5 h. The composite powder then mixed and sintered at 1200 °C for 3 h. X-ray diffraction (XRD), Fourier transformed infrared (FTIR) spectroscopy and Scanning electron microscopy (SEM) techniques are utilized to characterize the phase relations, functional group present and morphology of the sample. The study has revealed that the processing procedures played an important role in microstructural development of BHAp-10 wt% SiO{sub 2} composite. The XRD study of the raw material revealed that the primary phase material in the heat treated of bovine bone mandible waste is hydroxyapatite and in the combustion of rice husk is amorphous SiO{sub 2}. However, in the composite the hydroxyapatite, β-tricalcium phosphate, and calcium phosphate silicate were observed. The FTIR result show that the hydroxyl stretching band in the composite decrease compared with those of hydroxyapatite spectra and the evolution of morphology was occurred in the composite.

The glass transition in high-density amorphous ice.

Science.gov (United States)

Loerting, Thomas; Fuentes-Landete, Violeta; Handle, Philip H; Seidl, Markus; Amann-Winkel, Katrin; Gainaru, Catalin; Böhmer, Roland

2015-01-01

There has been a long controversy regarding the glass transition in low-density amorphous ice (LDA). The central question is whether or not it transforms to an ultraviscous liquid state above 136 K at ambient pressure prior to crystallization. Currently, the most widespread interpretation of the experimental findings is in terms of a transformation to a superstrong liquid above 136 K. In the last decade some work has also been devoted to the study of the glass transition in high-density amorphous ice (HDA) which is in the focus of the present review. At ambient pressure HDA is metastable against both ice I and LDA, whereas at > 0.2 GPa HDA is no longer metastable against LDA, but merely against high-pressure forms of crystalline ice. The first experimental observation interpreted as the glass transition of HDA was made using in situ methods by Mishima, who reported a glass transition temperature T g of 160 K at 0.40 GPa. Soon thereafter Andersson and Inaba reported a much lower glass transition temperature of 122 K at 1.0 GPa. Based on the pressure dependence of HDA's T g measured in Innsbruck, we suggest that they were in fact probing the distinct glass transition of very high-density amorphous ice (VHDA). Very recently the glass transition in HDA was also observed at ambient pressure at 116 K. That is, LDA and HDA show two distinct glass transitions, clearly separated by about 20 K at ambient pressure. In summary, this suggests that three glass transition lines can be defined in the p-T plane for LDA, HDA, and VHDA.

Magnetic Sensors Based on Amorphous Ferromagnetic Materials: A Review

Directory of Open Access Journals (Sweden)

Carlos Morón

2015-11-01

Full Text Available Currently there are many types of sensors that are used in lots of applications. Among these, magnetic sensors are a good alternative for the detection and measurement of different phenomena because they are a “simple” and readily available technology. For the construction of such devices there are many magnetic materials available, although amorphous ferromagnetic materials are the most suitable. The existence in the market of these materials allows the production of different kinds of sensors, without requiring expensive manufacture investments for the magnetic cores. Furthermore, these are not fragile materials that require special care, favouring the construction of solid and reliable devices. Another important feature is that these sensors can be developed without electric contact between the measuring device and the sensor, making them especially fit for use in harsh environments. In this review we will look at the main types of developed magnetic sensors. This work presents the state of the art of magnetic sensors based on amorphous ferromagnetic materials used in modern technology: security devices, weapon detection, magnetic maps, car industry, credit cards, etc.

Magnetic Sensors Based on Amorphous Ferromagnetic Materials: A Review.

Science.gov (United States)

Morón, Carlos; Cabrera, Carolina; Morón, Alberto; García, Alfonso; González, Mercedes

2015-11-11

Currently there are many types of sensors that are used in lots of applications. Among these, magnetic sensors are a good alternative for the detection and measurement of different phenomena because they are a "simple" and readily available technology. For the construction of such devices there are many magnetic materials available, although amorphous ferromagnetic materials are the most suitable. The existence in the market of these materials allows the production of different kinds of sensors, without requiring expensive manufacture investments for the magnetic cores. Furthermore, these are not fragile materials that require special care, favouring the construction of solid and reliable devices. Another important feature is that these sensors can be developed without electric contact between the measuring device and the sensor, making them especially fit for use in harsh environments. In this review we will look at the main types of developed magnetic sensors. This work presents the state of the art of magnetic sensors based on amorphous ferromagnetic materials used in modern technology: security devices, weapon detection, magnetic maps, car industry, credit cards, etc.

Magnetic Sensors Based on Amorphous Ferromagnetic Materials: A Review

Science.gov (United States)

Morón, Carlos; Cabrera, Carolina; Morón, Alberto; García, Alfonso; González, Mercedes

2015-01-01

Currently there are many types of sensors that are used in lots of applications. Among these, magnetic sensors are a good alternative for the detection and measurement of different phenomena because they are a “simple” and readily available technology. For the construction of such devices there are many magnetic materials available, although amorphous ferromagnetic materials are the most suitable. The existence in the market of these materials allows the production of different kinds of sensors, without requiring expensive manufacture investments for the magnetic cores. Furthermore, these are not fragile materials that require special care, favouring the construction of solid and reliable devices. Another important feature is that these sensors can be developed without electric contact between the measuring device and the sensor, making them especially fit for use in harsh environments. In this review we will look at the main types of developed magnetic sensors. This work presents the state of the art of magnetic sensors based on amorphous ferromagnetic materials used in modern technology: security devices, weapon detection, magnetic maps, car industry, credit cards, etc. PMID:26569244

Investigations of metal contacts to amorphous evaporated Ge films and amorphous sputtered Si films

International Nuclear Information System (INIS)

Hafiz, M.; Mgbenu, E.; Tove, P.A.; Norde, H.; Petersson, S.

1976-02-01

Amorphous Ge or Si films have been used as ohmic contacts to high-resistivity n-silicon radiation detectors. One interesting property of this contact is that it does not inject minority carriers even when the depletion region extends up to the contact thus generating an extracting field there. The function of this contact is not yet fully explored. One part problem is the role of the metal films used as external contacts to the amorphous film. In this report the function of different contacting metals, such as Au, Al, Cr are investigated by measuring the I-V-characteristics of sandwich structures with two metals on both sides of the amorphous evaporated (Ge) and sputtered (Si) film (of typical thickness 1000 A). It was found that while the symmetric structures Au-αGe-Au and Cr-αGe-Cr were low-resistive (leading to resistivity values of approximately 10 5 Ωcm for the αGe film), Al-αGe-Al structures showed much higher resistance and were also polarity dependent. The former feature was found also for unsymmetric structures, i.e. Cr-αGe-Au, Cr-αGe-Al. (Auth.)

Correlation of atomic packing with the boson peak in amorphous alloys

Energy Technology Data Exchange (ETDEWEB)

Yang, W. M. [State Key Laboratory for Geomechanics and Deep Underground Engineering, School of Mechanics and Civil Engineering, School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China); Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); School of Materials Science and Engineering, Southeast University, Nanjing 211189 (China); Liu, H. S., E-mail: liuhaishun@126.com, E-mail: blshen@seu.edu.cn, E-mail: runweili@nimte.ac.cn, E-mail: jiangjz@zju.edu.cn; Zhao, Y. C. [State Key Laboratory for Geomechanics and Deep Underground Engineering, School of Mechanics and Civil Engineering, School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China); Liu, X. J. [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Chen, G. X.; Man, Q. K.; Chang, C. T.; Li, R. W., E-mail: liuhaishun@126.com, E-mail: blshen@seu.edu.cn, E-mail: runweili@nimte.ac.cn, E-mail: jiangjz@zju.edu.cn [Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Dun, C. C. [Department of Physics, Wake Forest University, Winston-Salem, North Carolina 27109 (United States); Shen, B. L., E-mail: liuhaishun@126.com, E-mail: blshen@seu.edu.cn, E-mail: runweili@nimte.ac.cn, E-mail: jiangjz@zju.edu.cn [School of Materials Science and Engineering, Southeast University, Nanjing 211189 (China); Inoue, A. [Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); and others

2014-09-28

Boson peaks (BP) have been observed from phonon specific heats in 10 studied amorphous alloys. Two Einstein-type vibration modes were proposed in this work and all data can be fitted well. By measuring and analyzing local atomic structures of studied amorphous alloys and 56 reported amorphous alloys, it is found that (a) the BP originates from local harmonic vibration modes associated with the lengths of short-range order (SRO) and medium-range order (MRO) in amorphous alloys, and (b) the atomic packing in amorphous alloys follows a universal scaling law, i.e., the ratios of SRO and MRO lengths to solvent atomic diameter are 3 and 7, respectively, which exact match with length ratios of BP vibration frequencies to Debye frequency for the studied amorphous alloys. This finding provides a new perspective for atomic packing in amorphous materials, and has significant implications for quantitative description of the local atomic orders and understanding the structure-property relationship.

Relaxation processes during amorphous metal alloys heating

International Nuclear Information System (INIS)

Malinochka, E.Ya.; Durachenko, A.M.; Borisov, V.T.

1982-01-01

Behaviour of Te+15 at.%Ge and Fe+13 at.%P+7 at.%C amorphous metal alloys during heating has been studied using the method of differential scanning calorimetry (DSC) as the most convenient one for determination of the value of heat effects, activation energies, temperature ranges of relaxation processes. Thermal effects corresponding to high-temperature relaxation processes taking place during amorphous metal alloys (AMA) heating are detected. The change of ratio of relaxation peaks values on DSC curves as a result of AMA heat treatment can be explained by the presence of a number of levels of inner energy in amorphous system, separated with potential barriers, the heights of which correspond to certain activation energies of relaxation processes

Lithium adsorption on amorphous aluminum hydroxides and gibbsite

OpenAIRE

Prodromou, Konstantinos P.

2016-01-01

Lithium (Li) adsorption on both amorphous aluminum hydroxides and gibbsite was studied. For the amorphous Al(OH)3 the adsorption was found to be pH dependent. Generally, 1.6 times more Li was adsorbed at initial pH value 8.0 compared with pH value 6.50. Gibbsite adsorbed 11.6 to 45.5 times less Li quantities compared with amorphous Al(OH)3. Lithium adsorption was not depended on equilibrium times. It remained stable for all equilibrium times used. Lithium quantities extracted with 1N CH3COONH...

Pressure-induced amorphization and collapse of magnetic order in the type-I clathrate Eu8Ga16Ge30

Science.gov (United States)

Mardegan, J. R. L.; Fabbris, G.; Veiga, L. S. I.; Adriano, C.; Avila, M. A.; Haskel, D.; Giles, C.

2013-10-01

We investigate the low temperature structural and electronic properties of the type-I clathrate Eu8Ga16Ge30 under pressure using x-ray powder diffraction (XRD), x-ray absorption near-edge structure (XANES), and x-ray magnetic circular dichroism (XMCD) techniques. The XRD measurements reveal a transition to an amorphous phase above 18 GPa. Unlike previous reports on other clathrate compounds, no volume collapse is observed prior to the crystalline-amorphous phase transition which takes place when the unit cell volume is reduced to 81% of its ambient pressure value. Fits of the pressure-dependent relative volume to a Murnaghan equation of state yield a bulk modulus B0=65±3 GPa and a pressure derivative B0'=3.3±0.5. The Eu L2-edge XMCD data shows quenching of the magnetic order at a pressure coincident with the crystalline-amorphous phase transition. This information along with the persistence of an Eu2+ valence state observed in the XANES spectra up to the highest pressure point (22 GPa) indicates that the suppression of XMCD intensity is due to the loss of long range magnetic order. When compared with other clathrates, the results point to the importance of guest ion-cage interactions in determining the mechanical stability of the framework structure and the critical pressure for amorphization. Finally, the crystalline structure is not found to recover after pressure release, resulting in an amorphous material that is at least metastable at ambient pressure and temperature.

Development of shear bands in amorphous-crystalline metallic alloys

International Nuclear Information System (INIS)

Pozdnyakov, V.A.

2004-01-01

A theoretical study is made into conditions of shear band evolution in amorphous-crystalline alloys with various morphological types of structural constituents. The condition of shear band evolution in thin amorphous alloys in the interior of the crystalline matrix is obtained. It is shown that a scale effect exists which manifests itself in suppression of the process of localized plastic flow with amorphous alloy thickness decreasing down to the limit. The analysis of the condition for shear band evolution in an amorphous alloy with nanocrystalline inclusions is accomplished. The relationship of a critical stress of shear band evolution to a volume fraction of disperse crystal inclusions is obtained. A consideration is also given to the evolution of shear bands in the material containing amorphous and crystalline areas of micro meter size. For the alloy with the structure of this type conditions for propagation of localized flows by a relay race type mechanism are determined [ru

Ultrafast carrier dynamics in tetrahedral amorphous carbon: carrier trapping versus electron-hole recombination

International Nuclear Information System (INIS)

Carpene, E; Mancini, E; Dallera, C; Schwen, D; Ronning, C; Silvestri, S De

2007-01-01

We report the investigation of the ultrafast carrier dynamics in thin tetrahedral amorphous carbon films by means of femtosecond time-resolved reflectivity. We estimated the electron-phonon relaxation time of a few hundred femtoseconds and we observed that under low optical excitation photo-generated carriers decay according to two distinct mechanisms attributed to trapping by defect states and direct electron-hole recombination. With high excitation, when photo-carrier and trap densities are comparable, a unique temporal evolution develops, as the time dependence of the trapping process becomes degenerate with the electron-hole recombination. This experimental evidence highlights the role of defects in the ultrafast electronic dynamics and is not specific to this particular form of carbon, but has general validity for amorphous and disordered semiconductors

Analytical theory of noncollinear amorphous metallic magnetism

International Nuclear Information System (INIS)

Kakehashi, Y.; Uchida, T.

2001-01-01

Analytical theory of noncollinear magnetism in amorphous metals is proposed on the basis of the Gaussian model for the distribution of the interatomic distance and the saddle-point approximation. The theory removes the numerical difficulty in the previous theory based on the Monte-Carlo sampling method, and reasonably describes the magnetic properties of amorphous transition metals

Formation of soft magnetic high entropy amorphous alloys composites containing in situ solid solution phase

Science.gov (United States)

Wei, Ran; Sun, Huan; Chen, Chen; Tao, Juan; Li, Fushan

2018-03-01

Fe-Co-Ni-Si-B high entropy amorphous alloys composites (HEAACs), which containing high entropy solid solution phase in amorphous matrix, show good soft magnetic properties and bending ductility even in optimal annealed state, were successfully developed by melt spinning method. The crystallization phase of the HEAACs is solid solution phase with body centered cubic (BCC) structure instead of brittle intermetallic phase. In addition, the BCC phase can transformed into face centered cubic (FCC) phase with temperature rise. Accordingly, Fe-Co-Ni-Si-B high entropy alloys (HEAs) with FCC structure and a small amount of BCC phase was prepared by copper mold casting method. The HEAs exhibit high yield strength (about 1200 MPa) and good plastic strain (about 18%). Meanwhile, soft magnetic characteristics of the HEAs are largely reserved from HEAACs. This work provides a new strategy to overcome the annealing induced brittleness of amorphous alloys and design new advanced materials with excellent comprehensive properties.

Amorphization Mechanism of Icosahedral Platinum Clusters

International Nuclear Information System (INIS)

Apra, Edoardo; Baletto, Francesca; Ferrando, Riccardo; Fortunelli, Alessandro

2004-01-01

The amorphization mechanism of high-symmetry pt nanoclusters is investigated by a combination of Molecular Dynamics simulations and Density Functional calculations. A general mechanism for amorphization, involving rosette-like structural transformations at fivefold vertices, is proposed. IN the tosette, a fivefold vertex is transformed into a hexagonal ring. We show that for icosahedral Pt nanoclusters, this transformation is associated with an energy gain, so that their most favorable structures have a low symmetry even at icosahedral magic numbers

Novel Amorphous Fe-Zr-Si(Cu) Boron-free Alloys

Science.gov (United States)

Kopcewicz, M.; Grabias, A.; Latuch, J.; Kowalczyk, M.

2010-07-01

Novel amorphous Fe80(ZrxSi20-x-y)Cuy boron-free alloys, in which boron was completely replaced by silicon as a glass forming element, have been prepared in the form of ribbons by a melt quenching technique. The X-ray diffraction and Mössbauer spectroscopy measurements revealed that the as-quenched ribbons with the composition of x = 6-10 at. % and y = 0, 1 at. % are predominantly amorphous. DSC measurements allowed the estimation of the crystallization temperatures of the amorphous alloys. The soft magnetic properties have been studied by the specialized rf-Mössbauer technique in which the spectra were recorded during an exposure of the samples to the rf field of 0 to 20 Oe at 61.8 MHz. Since the rf-collapse effect observed is very sensitive to the local anisotropy fields it was possible to evaluate the soft magnetic properties of amorphous alloys studied. The rf-Mössbauer studies were accompanied by the conventional measurements of the quasi-static hysteresis loops from which the magnetization and coercive fields were estimated. It was found that amorphous Fe-Zr-Si(Cu) alloys are magnetically very soft, comparable with those of the conventional amorphous B-containing Fe-based alloys.

Anisotropic phase separation through the metal-insulator transition in amorphous Mo-Ge and Fe-Ge alloys

International Nuclear Information System (INIS)

Regan, M.J.

1993-12-01

Since an amorphous solid is often defined as that which lacks long-range order, the atomic structure is typically characterized in terms of the high-degree of short-range order. Most descriptions of vapor-deposited amorphous alloys focus on characterizing this order, while assuming that the material is chemically homogeneous beyond a few near neighbors. By coupling traditional small-angle x-ray scattering which probes spatial variations of the electron density with anomalous dispersion which creates a species-specific contrast, one can discern cracks and voids from chemical inhomogeneity. In particular, one finds that the chemical inhomogeneities which have been previously reported in amorphous Fe x Ge 1-x and Mo x Ge 1-x are quite anisotropic, depending significantly on the direction of film growth. With the addition of small amounts of metal atoms (x 2 or MoGe 3 . Finally, by manipulating the deposited power flux and rates of growth, Fe x Ge 1-x films which have the same Fe composition x can be grown to different states of phase separation. These results may help explain the difficulty workers have had in isolating the metal/insulator transition for these and other vapor-deposited amorphous alloys

Water demand of amorphous nano silica and their impact on the workability of cement paste

NARCIS (Netherlands)

Quercia Bianchi, G.; Hüsken, G.; Brouwers, H.J.H.

2012-01-01

This paper addresses the characterization of six different amorphous silica samples with respect to their application in cement paste. Different mixes are compared and analyzed using the mini spread-flow test method. Also the granular properties, different void fraction states of packing and

Ductile fracture surface morphology of amorphous metallic alloys

NARCIS (Netherlands)

Miskuf, J; Csach, K; Ocelik, [No Value; Bengus, VZ; Tabachnikova, ED; Duhaj, P; Ocelik, Vaclav

1999-01-01

Fracture surfaces of ductile failure of two types bulk amorphous metallic alloys were studied using quantitative and qualitative fractographic analysis. The observed fractographic behaviour of ductile failure in comparison with the ductile failure of amorphous alloy ribbons shows signs of the same

Mesoporous calcium carbonate as a phase stabilizer of amorphous celecoxib--an approach to increase the bioavailability of poorly soluble pharmaceutical substances.

Science.gov (United States)

Forsgren, Johan; Andersson, Mattias; Nilsson, Peter; Mihranyan, Albert

2013-11-01

The bioavailability of crystalline pharmaceutical substances is often limited by their poor aqueous solubility but it can be improved by formulating the active substance in the amorphous state that is featured with a higher apparent solubility. Although the possibility of stabilizing amorphous drugs inside nano-sized pores of carbon nanotubes and ordered mesoporous silica has been shown, no conventional pharmaceutical excipients have so far been shown to possess this property. This study demonstrates the potential of using CaCO3 , a widely used excipient in oral drug formulations, to stabilize the amorphous state of active pharmaceutical ingredients, in particular celecoxib. After incorporation of celecoxib in the vaterite particles, a five to sixfold enhancement in apparent solubility of celecoxib is achieved due to pore-induced amorphization. To eliminate the possibility of uncontrolled phase transitions, the vaterite particles are stored in an inert atmosphere at 5 °C throughout the study. Also, to demonstrate that the amorphization effect is indeed associated with vaterite mesopores, accelerated stress conditions of 100% relative humidity are employed to impose transition from mesoporous vaterite to an essentially non-porous aragonite phase of CaCO3 , which shows only limited amorphization ability. Further, an improvement in solubility is also confirmed for ketoconazole when formulated with the mesoporous vaterite. Synthesis of the carrier particles and the incorporation of the active substances are carried out simultaneously in a one-step procedure, enabling easy fabrication. These results represent a promising approach to achieve enhanced bioavailability in new formulations of Type II BCS drugs. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Adsorption of selenium by amorphous iron oxyhydroxide and manganese dioxide

Science.gov (United States)

Balistrieri, L.S.; Chao, T.T.

1990-01-01

This work compares and models the adsorption of selenium and other anions on a neutral to alkaline surface (amorphous iron oxyhydroxide) and an acidic surface (manganese dioxide). Selenium adsorption on these oxides is examined as a function of pH, particle concentration, oxidation state, and competing anion concentration in order to assess how these factors might influence the mobility of selenium in the environment. The data indicate that 1. 1) amorphous iron oxyhydroxide has a greater affinity for selenium than manganese dioxide, 2. 2) selenite [Se(IV)] adsorption increases with decreasing pH and increasing particle concentration and is stronger than selenate [Se(VI)] adsorption on both oxides, and 3. 3) selenate does not adsorb on manganese dioxide. The relative affinity of selenate and selenite for the oxides and the lack of adsorption of selenate on a strongly acidic surface suggests that selenate forms outer-sphere complexes while selenite forms inner-sphere complexes with the surfaces. The data also indicate that the competition sequence of other anions with respect to selenite adsorption at pH 7.0 is phosphate > silicate > molybdate > fluoride > sulfate on amorphous iron oxyhydroxide and molybdate ??? phosphate > silicate > fluoride > sulfate on manganese dioxide. The adsorption of phosphate, molybdate, and silicate on these oxides as a function of pH indicates that the competition sequences reflect the relative affinities of these anions for the surfaces. The Triple Layer surface complexation model is used to provide a quantitative description of these observations and to assess the importance of surface site heterogeneity on anion adsorption. The modeling results suggest that selenite forms binuclear, innersphere complexes with amorphous iron oxyhydroxide and monodentate, inner-sphere complexes with manganese dioxide and that selenate forms outer-sphere, monodentate complexes with amorphous iron oxyhydroxide. The heterogeneity of the oxide surface sites

Amorphization and the effect of implanted ions in SiC

International Nuclear Information System (INIS)

Snead, L.L.; Zinkle, S.J.

1994-01-01

The effects of implanted ion chemistry and displacement damage on the amorphization threshold dose of SiC were studied using cross-section transmission electron microscopy. Room temperature as well as 200 and 400 C irradiations were carried out with 3.6 MeV Fe, 1.8 MeV Cl, 1 MeV He or 0.56 MeV Si ions. The room temperature amorphization threshold dose in irradiated regions well separated from the implanted ions was found to range from 0.3 to 0.5 dpa for the four different ion species. The threshold dose for amorphization in the He, Si and Fe ion-implanted regions was also ∼0.3 to 0.5 dpa. On the other hand, the amorphization threshold in the Cl-implanted region was only about 0.1 dpa. The volume change associated with amorphization was ∼17%. No evidence for amorphization was obtained in specimens irradiated at 200 or 400 C. An understanding of the microstructural evolution of SiC under irradiation is critical to the application of these materials in fusion energy systems

Atomistic modeling of defect evolution in Si for amorphizing and subamorphizing implants

International Nuclear Information System (INIS)

Lopez, Pedro; Pelaz, Lourdes; Marques, Luis A.; Santos, Ivan; Aboy, Maria; Barbolla, Juan

2004-01-01

Solid phase epitaxial regrowth of pre-amorphizing implants has received significant attention as a method to achieve high dopant activation with minimal diffusion at low implant temperatures and suppress channelling. Therefore, a good understanding of the amorphization and regrowth mechanisms is required in process simulators. We present an atomistic amorphization and recrystallization model that uses the interstitial-vacancy (I-V) pair as a building block to describe the amorphous phase. I-V pairs are locally characterized by the number of neighbouring I-V pairs. This feature captures the damage generation and the dynamical annealing during ion implantation, and also explains the annealing behaviour of amorphous layers and amorphous pockets

21. Colloquium on metallurgy. Amorphous alloys and materials

International Nuclear Information System (INIS)

1979-01-01

Twenty-two papers were presented at the 21st colloquium on metallurgy of amorphous alloys and materials. They deal with the applications, the various types, the preparation methods, the structure, the magnetic and thermodynamic properties and the structure defects of the amorphous materials [fr

The nature of the photoluminescence in amorphized PZT

International Nuclear Information System (INIS)

Silva, M.S.; Cilense, M.; Orhan, E.; Goes, M.S.; Machado, M.A.C.; Santos, L.P.S.; Paiva-Santos, C.O.; Longo, E.; Varela, J.A.; Zaghete, M.A.; Pizani, P.S.

2005-01-01

The polymeric precursor method was used to synthesize lead zirconate titanate powder (PZT). The crystalline powder was then amorphized by a high-energy ball milling process during 120 h. A strong photoluminescence emission was observed at room temperature for the amorphized PZT powder. The powders were characterized by XRD and the percentage of amorphous phase was calculated through Rietveld refinement. The microstructure for both phases was investigated by TEM. The optical gap was calculated through the Wood and Tauc method using the UV-Vis. data. Quantum mechanical calculations were carried out to give an interpretation of the photoluminescence in terms of electronic structure

Amorphous photonic crystals with only short-range order.

Science.gov (United States)

Shi, Lei; Zhang, Yafeng; Dong, Biqin; Zhan, Tianrong; Liu, Xiaohan; Zi, Jian

2013-10-04

Distinct from conventional photonic crystals with both short- and long-range order, amorphous photonic crystals that possess only short-range order show interesting optical responses owing to their unique structural features. Amorphous photonic crystals exhibit unique light scattering and transport, which lead to a variety of interesting phenomena such as isotropic photonic bandgaps or pseudogaps, noniridescent structural colors, and light localization. Recent experimental and theoretical advances in the study of amorphous photonic crystals are summarized, focusing on their unique optical properties, artificial fabrication, bionspiration, and potential applications. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A Magnetic Sensor with Amorphous Wire

Directory of Open Access Journals (Sweden)

Dongfeng He

2014-06-01

Full Text Available Using a FeCoSiB amorphous wire and a coil wrapped around it, we have developed a sensitive magnetic sensor. When a 5 mm long amorphous wire with the diameter of 0.1 mm was used, the magnetic field noise spectrum of the sensor was about 30 pT/ÖHz above 30 Hz. To show the sensitivity and the spatial resolution, the magnetic field of a thousand Japanese yen was scanned with the magnetic sensor.

Glass transition and intermixing of amorphous water and methanol

International Nuclear Information System (INIS)

Souda, Ryutaro

2004-01-01

The diffusion of molecules in amorphous water and methanol films has been investigated on the basis of time-of-flight secondary ion mass spectrometry as a function of temperature. The glass-liquid transition of the amorphous water film occurs at 130-145 K as confirmed from the surface segregation of embedded methanol molecules. The morphology of the pure amorphous water film changes drastically at 160 K as a consequence of dewetting induced by the surface tension and the strongly decreased viscosity of the film. The morphology of the amorphous methanol film changes at 115 K following the self-diffusion onset at 80 K. The binary films of water and heavy methanol are intermixed completely at 136 K as evidenced by the occurrence of the H/D exchange

Confinement of Amorphous Lactose in Pores Formed Upon Co-Spray Drying With Nanoparticles.

Science.gov (United States)

Hellrup, Joel; Mahlin, Denny

2017-01-01

This study aims at investigating factors influencing humidity-induced recrystallization of amorphous lactose, produced by co-spray drying with particles of cellulose nanocrystals or sodium montmorillonite. In particular, the focus is on how the nanoparticle shape and surface properties influence the nanometer to micrometer length scale nanofiller arrangement in the nanocomposites and how the arrangements influence the mechanisms involved in the inhibition of the amorphous to crystalline transition. The nanocomposites were produced by co-spray drying. Solid-state transformations were analyzed at 60%-94% relative humidity using X-ray powder diffraction, microcalorimetry, and light microscopy. The recrystallization rate constant for the lactose/cellulose nanocrystals and lactose/sodium montmorillonite nanocomposites was lowered at nanofiller contents higher than 60% and was stable for months at 80% nanofiller. The most likely explanation to these results is spontaneous formations of mesoporous particle networks that the lactose is confined upon co-spray drying at high filler content. Compartmentalization and rigidification of the amorphous lactose proved to be less important mechanisms involved in the stabilization of lactose in the nanocomposites. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Irradiation-induced amorphization process in graphite

Energy Technology Data Exchange (ETDEWEB)

Abe, Hiroaki [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Chemistry Research Establishment

1996-04-01

Effects of the element process of irradiation damage on irradiation-induced amorphization processes of graphite was studied. High orientation thermal decomposed graphite was cut about 100 nm width and used as samples. The irradiation experiments are carried out under the conditions of electronic energy of 100-400 KeV, ion energy of 200-600 KeV, ionic species Xe, Ar, Ne, C and He and the irradiation temperature at from room temperature to 900 K. The critical dose ({phi}a) increases exponentially with increasing irradiation temperature. The displacement threshold energy of graphite on c-axis direction was 27 eV and {phi}a{sup e} = 0.5 dpa. dpa is the average number of displacement to atom. The critical dose of ion irradiation ({phi}a{sup i}) was 0.2 dpa at room temperature, and amorphous graphite was produced by less than half of dose of electronic irradiation. Amorphization of graphite depending upon temperature is discussed. (S.Y.)

Inelastic neutron scattering of amorphous ice

International Nuclear Information System (INIS)

Fukazawa, Hiroshi; Ikeda, Susumu; Suzuki, Yoshiharu

2001-01-01

We measured the inelastic neutron scattering from high-density amorphous (HDA) and low-density amorphous (LDA) ice produced by pressurizing and releasing the pressure. We found a clear difference between the intermolecular vibrations in HDA and those in LDA ice: LDA ice has peaks at 22 and 33 meV, which are also seen in the spectrum of lattice vibrations in ice crystal, but the spectrum of HDA ice does not have these peaks. The excitation energy of librational vibrations in HDA ice is 10 meV lower than that in LDA ice. These results imply that HDA ice includes 2- and 5-coordinated hydrogen bonds that are created by breakage of hydrogen bonds and migration of water molecules into the interstitial site, while LDA ice contains mainly 4-coordinated hydrogen bonds and large cavities. Furthermore, we report the dynamical structure factor in the amorphous ice and show that LDA ice is more closely related to the ice crystal structure than to HDA ice. (author)

Formation of amorphous layers by irradiation

International Nuclear Information System (INIS)

Bourgoin, J.C.

1979-01-01

When an ordered solid is irradiated with heavy energy particles, disorder is produced. When the irradiation dose exceeds a so-called critical dose, the irradiated area of the solid becomes uniformly disordered. Mention is first made of the nature, concentration and distribution of the defects created by a heavy energy particle. The description is then given -solely with respect to semiconductors- of the effect of the various parameters on the critical dose energy and nature of the ion, nature and temperature of the solid, irradiation flux. The physical properties (electronic and thermodynamic types) and the uniformly disordered areas are briefly discussed and these properties are compared with those of amorphous semiconductor layers fabricated by evaporation. It is concluded that the evaporated and irradiated layers are similar in nature. It is suggested that the transformation of an irradiated crystalline area into an amorphous one occurs when the Gibbs energy of the crystal become greater than the Gibbs energy of the amorphous one [fr

Precipitation of amorphous SiO2 particles and their properties

Directory of Open Access Journals (Sweden)

S. Musić

2011-03-01

Full Text Available The experimental conditions were optimized for the synthesis of amorphous SiO2 particles by the reaction of neutralization of sodium silicate solution with H2SO4 solution. Amorphous SiO2 particles were characterized by XRD, FT-IR, FE-SEM, EDS and microelectrophoresis. The amorphous peak was located at 2θ = 21.8º in the XRD pattern. Primary SiO2 particles were ~ 15 to ~ 30 nm in size and they aggregated into bigger particles. Amorphous SiO2 particles showed a specific surface area up to 130 m²g-1, dependent on the parameters of the precipitation process. The EDS spectrum of amorphous SiO2 particles did not show contamination with sulfate or other ions, which cannot be excluded in traces. pHzpc =1.7 was obtained by microelectrophoresis.

Infrared Spectra and Optical Constants of Elusive Amorphous Methane

Science.gov (United States)

Gerakines, Perry A.; Hudson, Reggie L.

2015-01-01

New and accurate laboratory results are reported for amorphous methane (CH4) ice near 10 K for the study of the interstellar medium (ISM) and the outer Solar System. Near- and mid-infrared (IR) data, including spectra, band strengths, absorption coefficients, and optical constants, are presented for the first time for this seldom-studied amorphous solid. The apparent IR band strength near 1300 cm(exp -1) (7.69 micrometer) for amorphous CH4 is found to be about 33% higher than the value long used by IR astronomers to convert spectral observations of interstellar CH4 into CH4 abundances. Although CH4 is most likely to be found in an amorphous phase in the ISM, a comparison of results from various laboratory groups shows that the earlier CH4 band strength at 1300 cm(exp -1) (7.69 micrometer) was derived from IR spectra of ices that were either partially or entirely crystalline CH4 Applications of the new amorphous-CH4 results are discussed, and all optical constants are made available in electronic form.

Amorphous and Nanocomposite Materials for Energy-Efficient Electric Motors

Science.gov (United States)

Silveyra, Josefina M.; Xu, Patricia; Keylin, Vladimir; DeGeorge, Vincent; Leary, Alex; McHenry, Michael E.

2016-01-01

We explore amorphous soft-magnetic alloys as candidates for electric motor applications. The Co-rich system combines the benefits of low hysteretic and eddy-current losses while exhibiting negligible magnetostriction and robust mechanical properties. The amorphous precursors can be devitrified to form nanocomposite magnets. The superior characteristics of these materials offer the advantages of ease of handling in the manufacturing processing and low iron losses during motor operation. Co-rich amorphous ribbons were laser-cut to build a stator for a small demonstrator permanent-magnet machine. The motor was tested up to ~30,000 rpm. Finite-element analyses proved that the iron losses of the Co-rich amorphous stator were ~80% smaller than for a Si steel stator in the same motor, at 18,000 rpm (equivalent to an electric frequency of 2.1 kHz). These low-loss soft magnets have great potential for application in highly efficient high-speed electric machines, leading to size reduction as well as reduction or replacement of rare earths in permanent-magnet motors. More studies evaluating further processing techniques for amorphous and nanocomposite materials are needed.

Amorphous silica from rice husk at various temperatures

International Nuclear Information System (INIS)

Javed, S.J.; Feroze, N.; Tajwar, S.

2008-01-01

Rice husk is being used as a source of energy in many heat generating system because of its high calorific value and its availability in many rice producing areas. Rice husk contains approximately 20% silica which is presented in hydrated form. This hydrated silica can be retrieved as amorphous silica under controlled thermal conditions. Uncontrolled burning of rice husk produces crystalline silica which is not reactive silica but can be used as filler in many applications. Amorphous silica is reactive silica which has better market value due to its reactive nature in process industry. The present study deals with the production of amorphous silica at various temperatures from rice husk. Various ashes were prepared in tube furnace by changing the burning temperatures for fixed time intervals and analyzed by XRD. It has been observed that for two hours calculation's of rice husk renders mostly amorphous silica at 650 degree C where as at higher temperatures crystalline silica was obtained. (author)

High transmittance contrast in amorphous to hexagonal phase of Ge2Sb2Te5: Reversible NIR-window

Science.gov (United States)

Singh, Palwinder; Singh, A. P.; Kanda, Neetu; Mishra, Monu; Gupta, Govind; Thakur, Anup

2017-12-01

Ge2Sb2Te5 (GST) is one of the best phase change materials because of its splendid set of properties, viz., high thermal stability, fast crystallization speed, good endurance, scalability, and reliability. Phase transition [amorphous → face centered cubic (fcc) → hexagonal close packed (hcp)] of GST thin films with annealing was studied using X-ray diffraction. Thin films in amorphous, fcc, and hcp phases are highly, medium, and negligible transparent in the near infra-red region, respectively. The optical transmission in amorphous, fcc, and hcp phases is ˜92%, ˜46%, and ˜2%, respectively, at the wavelength of 2740 nm. At 2740 nm, a high transmission contrast (˜90%) is observed with phase transition from the amorphous to hcp phase. By utilizing large transmission contrast, it is demonstrated that GST can be availed as a potential candidate for reversible near infra-red-window. The sharp change in optical transmission with phase transition can be understood from the change in density of states in the valence band.

Dynamics of viscoplastic deformation in amorphous solids

International Nuclear Information System (INIS)

Falk, M.L.; Langer, J.S.

1998-01-01

We propose a dynamical theory of low-temperature shear deformation in amorphous solids. Our analysis is based on molecular-dynamics simulations of a two-dimensional, two-component noncrystalline system. These numerical simulations reveal behavior typical of metallic glasses and other viscoplastic materials, specifically, reversible elastic deformation at small applied stresses, irreversible plastic deformation at larger stresses, a stress threshold above which unbounded plastic flow occurs, and a strong dependence of the state of the system on the history of past deformations. Microscopic observations suggest that a dynamically complete description of the macroscopic state of this deforming body requires specifying, in addition to stress and strain, certain average features of a population of two-state shear transformation zones. Our introduction of these state variables into the constitutive equations for this system is an extension of earlier models of creep in metallic glasses. In the treatment presented here, we specialize to temperatures far below the glass transition and postulate that irreversible motions are governed by local entropic fluctuations in the volumes of the transformation zones. In most respects, our theory is in good quantitative agreement with the rich variety of phenomena seen in the simulations. copyright 1998 The American Physical Society

Amorphization of complex ceramics by heavy-particle irradiations

International Nuclear Information System (INIS)

Ewing, R.C.; Wang, L.M.

1994-11-01

Complex ceramics, for the purpose of this paper, include materials that are generally strongly bonded (mixed ionic and covalent), refractory and frequently good insulators. They are distinguished from simple, compact ceramics (e.g., MgO and UO 2 ) by structural features which include: (1) open network structures, best characterized by a consideration of the shape, size and connectivity of coordination polyhedra; (2) complex compositions which characteristically lead to multiple cation sites and lower symmetry; (3) directional bonding; (4) bond-type variations within the structure. The heavy particle irradiations include ion-beam irradiations and recoil-nucleus damage resulting from a-decay events from constituent actinides. The latter effects are responsible for the radiation-induced transformation to the metamict state in minerals. The responses of these materials to irradiation are complex, as energy may be dissipated ballistically by transfer of kinetic energy from an incident projectile or radiolytically by conversion of radiation-induced electronic excitations into atomic motion. This results in isolated Frenkel defect pairs, defect aggregates, isolated collision cascades or bulk amorphization. Thus, the amorphization process is heterogeneous. Only recently have there been systematic studies of heavy particle irradiations of complex ceramics on a wide variety of structure-types and compositions as a function of dose and temperature. In this paper, we review the conditions for amorphization for the tetragonal orthosilicate, zircon [ZrSiO 4 ]; the hexagonal orthosilicate/phosphate apatite structure-type [X 10 (ZO 4 ) 6 (F,Cl,O) 2 ]; the isometric pyrochlores [A 1-2 B 2 O 6 (O,OH,F) 0-1p H 2 O] and its monoclinic derivative zirconotite [CaZrTi 2 O 7 ]; the olivine (derivative - hcp) structure types, α- VI A 2 IV BO 4 , and spinel (ccp), γ- VI A 2 IV BO 4

In vitro characterization of a novel polymeric system for preparation of amorphous solid drug dispersions.

Science.gov (United States)

Mahmoudi, Zahra N; Upadhye, Sampada B; Ferrizzi, David; Rajabi-Siahboomi, Ali R

2014-07-01

Preparation of amorphous solid dispersions using polymers is a commonly used formulation strategy for enhancing the solubility of poorly water-soluble drugs. However, often a single polymer may not bring about a significant enhancement in solubility or amorphous stability of a poorly water-soluble drug. This study describes application of a unique and novel binary polymeric blend in preparation of solid dispersions. The objective of this study was to investigate amorphous solid dispersions of glipizide, a BCS class II model drug, in a binary polymeric system of polyvinyl acetate phthalate (PVAP) and hypromellose (hydroxypropyl methylcellulose, HPMC). The solid dispersions were prepared using two different solvent methods: rotary evaporation (rotavap) and fluid bed drug layering on sugar spheres. The performance and physical stability of the dispersions were evaluated with non-sink dissolution testing, powder X-ray diffraction (PXRD), and modulated differential scanning calorimetry (mDSC). PXRD analysis demonstrated an amorphous state for glipizide, and mDSC showed no evidence of phase separation. Non-sink dissolution testing in pH 7.5 phosphate buffer indicated more than twofold increase in apparent solubility of the drug with PVAP-HPMC system. The glipizide solid dispersions demonstrated a high glass transition temperature (Tg) and acceptable chemical and physical stability during the stability period irrespective of the manufacturing process. In conclusion, the polymeric blend of PVAP-HPMC offers a unique formulation approach for developing amorphous solid dispersions with the flexibility towards the use of these polymers in different ratios and combined quantities depending on drug properties.

Definition and properties of ideal amorphous structures

International Nuclear Information System (INIS)

Stachurski, Z.H.

2002-01-01

Full text: Amorphous structure is usually defined by what it is not (ie, no crystalline peaks in XRS, no bond correlation in NMR), rather than by what it is. The interest in defining the structure of non-crystalline materials is long standing; packing geometry of spheres, molecular structure of glassy SiO 2 , or the structure of atactic polymers are prime examples. The earliest definitions of amorphous structure were in terms of a microcrystallite model of Valenkov, or continuous random network by Zachariasen. The random close packing of spheres of equal size, and an amorphous structure, composed of freely jointed linear chains of hard spheres, has been described mathematically in terms of a linear homogeneous Poisson process. This paper aims to describe some geometrical, kinematic, and topological properties of these two ideal amorphous structures, which belong to the same amorphous class. The geometry of packing is elucidated, and the use of Voronoi tessellation method for measuring the structures is described. The ideal amorphous solid has no symmetry elements; its volume can not be divided into identical unit cells. However, there is a volume element small enough to allow the distinction of its nanoscopic inhomogeneities, and sufficiently large enough to represent, accurately the overall behaviour. We define this volume element, the representative volume element. Suitable boundary conditions must be prescribed for a choice of RVE, and satisfy certain requirements. Topologically, a catchment region on the Born-Oppenheimer potential energy surface over nuclear configuration space, is defined by Mezey and Bader as an energetically stable geometry of the open region of R 3 traversed by all the trajectories which terminate at a local maximum. Two topological properties will be described: (i) the boundaries of the catchment region as a direct geometrical correspondence to the Voronoi polyhedron for a given atom in a given structure, and (ii) the constriction points

Interface-mediated amorphization of coesite by 200 keV electron irradiation

International Nuclear Information System (INIS)

Gong, W.L.; Wang, L.M.; Ewing, R.C.; Xie, H.S.

1997-01-01

Electron-induced amorphization of coesite was studied as a function of irradiation temperature by in situ transmission electron microscopy at an incident energy of 200 keV. Electron-induced amorphization of coesite is induced by an ionization mechanism and is mainly dominated by an interface-mediated, heterogeneous nucleation-and-growth controlled process. Amorphous domains nucleate at surfaces, crystalline-amorphous (c-a) interfaces, and grain boundaries. This is the same process as the interface-mediated vitrification of coesite by isothermal annealing above the thermodynamic melting temperature (875 K), but below the glass transition temperature (1480 K). The interface-mediated amorphization of coesite by electron irradiation is morphologically similar to interface-mediated thermodynamic melting. copyright 1997 American Institute of Physics

Phonon excitations in multicomponent amorphous solids

International Nuclear Information System (INIS)

Vakarchuk, I.A.; Migal', V.M.; Tkachuk, V.M.

1988-01-01

The method of two-time temperature-dependent Green's functions is used to investigate phonon excitations in multicomponent amorphous solids. The equation obtained for the energy spectrum of the phonon excitations takes into account the damping associated with scattering of phonons by structure fluctuations. The quasicrystal approximation is considered, and as an example explicit expressions are obtained for the case of a two-component amorphous solid for the frequencies of the acoustical and optical modes and for the longitudinal and transverse velocities of sound. The damping is investigated

Memristive effects in oxygenated amorphous carbon nanodevices

Science.gov (United States)

Bachmann, T. A.; Koelmans, W. W.; Jonnalagadda, V. P.; Le Gallo, M.; Santini, C. A.; Sebastian, A.; Eleftheriou, E.; Craciun, M. F.; Wright, C. D.

2018-01-01

Computing with resistive-switching (memristive) memory devices has shown much recent progress and offers an attractive route to circumvent the von-Neumann bottleneck, i.e. the separation of processing and memory, which limits the performance of conventional computer architectures. Due to their good scalability and nanosecond switching speeds, carbon-based resistive-switching memory devices could play an important role in this respect. However, devices based on elemental carbon, such as tetrahedral amorphous carbon or ta-C, typically suffer from a low cycling endurance. A material that has proven to be capable of combining the advantages of elemental carbon-based memories with simple fabrication methods and good endurance performance for binary memory applications is oxygenated amorphous carbon, or a-CO x . Here, we examine the memristive capabilities of nanoscale a-CO x devices, in particular their ability to provide the multilevel and accumulation properties that underpin computing type applications. We show the successful operation of nanoscale a-CO x memory cells for both the storage of multilevel states (here 3-level) and for the provision of an arithmetic accumulator. We implement a base-16, or hexadecimal, accumulator and show how such a device can carry out hexadecimal arithmetic and simultaneously store the computed result in the self-same a-CO x cell, all using fast (sub-10 ns) and low-energy (sub-pJ) input pulses.

Two-level tunneling systems in amorphous alumina

Science.gov (United States)

Lebedeva, Irina V.; Paz, Alejandro P.; Tokatly, Ilya V.; Rubio, Angel

2014-03-01

The decades of research on thermal properties of amorphous solids at temperatures below 1 K suggest that their anomalous behaviour can be related to quantum mechanical tunneling of atoms between two nearly equivalent states that can be described as a two-level system (TLS). This theory is also supported by recent studies on microwave spectroscopy of superconducting qubits. However, the microscopic nature of the TLS remains unknown. To identify structural motifs for TLSs in amorphous alumina we have performed extensive classical molecular dynamics simulations. Several bistable motifs with only one or two atoms jumping by considerable distance ~ 0.5 Å were found at T=25 K. Accounting for the surrounding environment relaxation was shown to be important up to distances ~ 7 Å. The energy asymmetry and barrier for the detected motifs lied in the ranges 0.5 - 2 meV and 4 - 15 meV, respectively, while their density was about 1 motif per 10 000 atoms. Tuning of motif asymmetry by strain was demonstrated with the coupling coefficient below 1 eV. The tunnel splitting for the symmetrized motifs was estimated on the order of 0.1 meV. The discovered motifs are in good agreement with the available experimental data. The financial support from the Marie Curie Fellowship PIIF-GA-2012-326435 (RespSpatDisp) is gratefully acknowledged.

Imaging of Crystalline and Amorphous Surface Regions Using Time-of-Flight Secondary-Ion Mass Spectrometry (ToF-SIMS): Application to Pharmaceutical Materials.

Science.gov (United States)

Iuraş, Andreea; Scurr, David J; Boissier, Catherine; Nicholas, Mark L; Roberts, Clive J; Alexander, Morgan R

2016-04-05

The structure of a material, in particular the extremes of crystalline and amorphous forms, significantly impacts material performance in numerous sectors such as semiconductors, energy storage, and pharmaceutical products, which are investigated in this paper. To characterize the spatial distribution for crystalline-amorphous forms at the uppermost molecular surface layer, we performed time-of-flight secondary-ion mass spectroscopy (ToF-SIMS) measurements for quench-cooled amorphous and recrystallized samples of the drugs indomethacin, felodipine, and acetaminophen. Polarized light microscopy was used to localize crystallinity induced in the samples under controlled conditions. Principal component analysis was used to identify the subtle changes in the ToF-SIMS spectra indicative of the amorphous and crystalline forms for each drug. The indicators of amorphous and crystalline surfaces were common in type across the three drugs, and could be explained in general terms of crystal packing and intermolecular bonding, leading to intramolecular bond scission in the formation of secondary ions. Less intramolecular scission occurred in the amorphous form, resulting in a greater intensity of molecular and dimer secondary ions. To test the generality of amorphous-crystalline differentiation using ToF-SIMS, a different recrystallization method was investigated where acetaminophen single crystals were recrystallized from supersaturated solutions. The findings indicated that the ability to assign the crystalline/amorphous state of the sample using ToF-SIMS was insensitive to the recrystallization method. This demonstrates that ToF-SIMS is capable of detecting and mapping ordered crystalline and disordered amorphous molecular materials forms at micron spatial resolution in the uppermost surface of a material.

Emerging trends in the stabilization of amorphous drugs

DEFF Research Database (Denmark)

Laitinen, Riikka; Löbmann, Korbinian; Strachan, Clare J.

2013-01-01

The number of active pharmaceutical substances having high therapeutic potential but low water solubility is constantly increasing, making it difficult to formulate these compounds as oral dosage forms. The solubility and dissolution rate, and thus potentially the bioavailability, of these poorly...... water-soluble drugs can be increased by the formation of stabilized amorphous forms. Currently, formulation as solid polymer dispersions is the preferred method to enhance drug dissolution and to stabilize the amorphous form of a drug. The purpose of this review is to highlight emerging alternative...... of mesoporous silicon and silica-based carriers are presented as potential means to increase the stability of amorphous pharmaceuticals....

NATO Advanced Study Institute on Hydrogen in Disordered and Amorphous Solids

CERN Document Server

Bowman, Robert

1986-01-01

This is the second volume in the NATO ASI series dealing with the topic of hydrogen in solids. The first (V. B76, Metal Hydrides) appeared five years ago and focussed primarily on crystalline phases of hydrided metallic systems. In the intervening period, the amorphous solid state has become an area of intense research activity, encompassing both metallic and non-metallic, e.g. semiconducting, systems. At the same time the problem of storage of hydrogen, which motivated the first ASI, continues to be important. In the case of metallic systems, there were early indications that metallic glasses and disordered alloys may be more corrosion resistant, less susceptible to embrittlement by hydrogen and have a higher hydrogen mobility than ordered metals or intermetallics. All of these properties are desirable for hydrogen storage. Subsequent research has shown that thermodynamic instability is a severe problem in many amorphous metal hydrides. The present ASI has provided an appropriate forum to focus on these issu...

Nitrided FeB amorphous thin films for magneto mechanical systems

International Nuclear Information System (INIS)

Fernandez-Martinez, I.; Martin-Gonzalez, M.S.; Gonzalez-Arrabal, R.; Alvarez-Sanchez, R.; Briones, F.; Costa-Kraemer, J.L.

2008-01-01

The structural, magnetic and magnetoelastic properties of Fe-B-N amorphous films, sputtered from a Fe 80 B 20 target, in a mixture of argon and nitrogen gas, are studied for different nitrogen partial pressures. Nitrogen incorporates into the film preserving the amorphous structure, and modifying magnetic properties. The amount of nitrogen that incorporates into the amorphous structure is found to scale linearly with the nitrogen partial pressure during film growth. The structure, magnetization, field evolution, magnetic anisotropy and magnetostrictive behaviour are determined for films with different nitrogen content. An ∼20% increase of both the saturation magnetization and the magnetostriction constant values is found for moderate (∼8%) nitrogen content when compared to those for pure Fe 80 B 20 amorphous films. These improved properties, together with the still low coercivity of the amorphous films offer great potential for their use in magnetostrictive micro and nano magneto mechanical actuator devices

Ion-beam-driven amorphization of Ca2La8(SiO4)6O2 single crystals

International Nuclear Information System (INIS)

Weber, W.J.; Hess, N.J.; Wang, L.M.

1993-11-01

Single crystals of Ca 2 La 8 (SiO 4 ) 6 O 2 , with 1% Nd substituted for La, were irradiated with 0.8 MeV Ne + and 1.5 MeV Kr + ions from 15 to 773 K. The irradiations were carried out using the HVEM-Tandem Facility at Argonne National Laboratory. The structural changes and the ion fluence for complete amorphization were determined by in situ transmission electron microscopy. The ion fluence for complete amorphization increased with temperature in two stages associated with defect annealing processes. The critical temperature for amorphization increased from ∼360 K for 0.8 MeV Ne + to ∼710 K for 1.5 MeV Kr + . During in situ annealing studies, irradiation-enhanced recrystallization was observed at 923 K. Spatially-resolved fluorescence spectra of the Nd ion excited with 488.0 mn laser excitation showed marked line-broadening toward the center of the amorphous regions. Initial measurements indicate the subtle shifts of the 9 I 9/2 groundstate energy levels can be measured by pumping directly into the excited state 4 F 3/2 manifold suggesting that the line broadening observed originates from a distribution of geometrically distorted Nd sites

Thermal treatment of the Fe78Si9B13 alloy in it amorphous phase studied by means of Moessbauer spectroscopy

International Nuclear Information System (INIS)

Cabral P, A.; Lopez, A.; Garcia S, F.

2003-01-01

The magnetic and microhardness changes, dependents of the temperature that occur in the Fe 78 Si 9 B 13 alloy in it amorphous state were studied by means of the Moessbauer spectroscopy and Vickers microhardness. According to the Moessbauer parameters and in particular that of the hyperfine magnetic field, this it changes according to the changes of the microhardness; i.e. if the microhardness increases, the hyperfine magnetic field increases. The registered increment of hardness in the amorphous state of this alloy should be considered as anomalous, according to the prediction of the Hall-Petch equation, the one that relates negative slopes with grain sizes every time but small. (Author)

Irradiation induced crystalline to amorphous transition

International Nuclear Information System (INIS)

Bourgoin, J.

1980-01-01

Irradiation of a crystalline solid with energetic heavy particles results in cascades of defects which, with increasing dose, overlap and form a continuous disordered layer. In semiconductors the physical properties of such disordered layers are found to be similar to those of amorphous layers produced by evaporation. It is shown in the case of silicon, that the transition from a disordered crystalline (X) layer to an amorphous (α) layer occurs when the Gibbs energy of the X phase and of the defects it contains becomes larger than the Gibbs energy of the α phase. (author)

Preparation and recrystallization behavior of spray-dried co-amorphous naproxen-indomethacin

DEFF Research Database (Denmark)

Beyer, Andreas; Radi, Lydia; Grohganz, Holger

2016-01-01

(2) factorial design and the obtained samples were analyzed with X-ray powder diffractometry and Fourier-transformed infrared spectroscopy. Evaluation of the data revealed that the preparation of fully amorphous samples could be achieved depending on the process conditions. The resulting recrystallization......To improve the dissolution properties and the physical stability of amorphous active pharmaceutical ingredients, small molecule stabilizing agents may be added to prepare co-amorphous systems. The objective of the study was to investigate if spray-drying allows the preparation of co-amorphous drug...

Moessbauer effect study on mechanically alloyed amorphous Fe1-xTix alloys

International Nuclear Information System (INIS)

Chen Hong; Xu Zuxiong; Ma Ruzhang; Zhao Zhongtao; Ping Jueyun

1994-01-01

Amorphous Fe 1-x Ti x (x = 0.50, 0.60) powders were produced by mechanical alloying from pure elemental powders in a vibratory ball-mill. X-ray diffraction (XRD) and Moessbauer effect (ME) were used to study the progress of amorphization and the property of hydrogen absorption in Fe-Ti alloys. The amorphization process and the properties of the amorphous phase are discussed. (orig.)

Crystallization of biogenic hydrous amorphous silica

Science.gov (United States)

Kyono, A.; Yokooji, M.; Chiba, T.; Tamura, T.; Tuji, A.

2017-12-01

Diatom, Nitzschia cf. frustulum, collected from Lake Yogo, Siga prefecture, Japan was cultured in laboratory. Organic components of the diatom cell were removed by washing with acetone and sodium hypochlorite. The remaining frustules were studied by SEM-EDX, FTIR spectroscopy, and synchrotron X-ray diffraction. The results showed that the spindle-shaped morphology of diatom frustule was composed of hydrous amorphous silica. Pressure induced phase transformation of the diatom frustule was investigated by in situ Raman spectroscopic analysis. With exposure to 0.3 GPa at 100 oC, Raman band corresponding to quartz occurred at ν = 465 cm-1. In addition, Raman bands known as a characteristic Raman pattern of moganite was also observed at 501 cm-1. From the integral ratio of Raman bands, the moganite content in the probed area was estimated to be approximately 50 wt%. With the pressure and temperature effect, the initial morphology of diatom frustule was completely lost and totally changed to a characteristic spherical particle with a diameter of about 2 mm. With keeping the compression of 5.7 GPa at 100 oC, a Raman band assignable to coesite appeared at 538 cm-1. That is, with the compression and heating, the hydrous amorphous silica can be readily crystallized into quartz, moganite, and coesite. The first-principles calculations revealed that a disiloxane molecule stabilized in a trans configuration is twisted 60o and changed into the cis configuration with a close approach of water molecule. It is therefore a reasonable assumption that during crystallization of hydrous amorphous silica, the Si-O-Si bridging unit with the cis configuration would survive as a structural defect and then crystallized into moganite by keeping the geometry. This hypothesis is adaptable to the phase transformation from hydrous amorphous silica to coesite as well, because coesite has the four-membered rings and easily formed from the hydrous amorphous silica under high pressure and high

High-density amorphous ice: nucleation of nanosized low-density amorphous ice

Science.gov (United States)

Tonauer, Christina M.; Seidl-Nigsch, Markus; Loerting, Thomas

2018-01-01

The pressure dependence of the crystallization temperature of different forms of expanded high-density amorphous ice (eHDA) was scrutinized. Crystallization at pressures 0.05-0.30 GPa was followed using volumetry and powder x-ray diffraction. eHDA samples were prepared via isothermal decompression of very high-density amorphous ice at 140 K to different end pressures between 0.07-0.30 GPa (eHDA0.07-0.3). At 0.05-0.17 GPa the crystallization line T x (p) of all eHDA variants is the same. At pressures  >0.17 GPa, all eHDA samples decompressed to pressures  <0.20 GPa exhibit significantly lower T x values than eHDA0.2 and eHDA0.3. We rationalize our findings with the presence of nanoscaled low-density amorphous ice (LDA) seeds that nucleate in eHDA when it is decompressed to pressures  <0.20 GPa at 140 K. Below ~0.17 GPa, these nanosized LDA domains are latent within the HDA matrix, exhibiting no effect on T x of eHDA<0.2. Upon heating at pressures  ⩾0.17 GPa, these nanosized LDA nuclei transform to ice IX nuclei. They are favored sites for crystallization and, hence, lower T x . By comparing crystallization experiments of bulk LDA with the ones involving nanosized LDA we are able to estimate the Laplace pressure and radius of ~0.3-0.8 nm for the nanodomains of LDA. The nucleation of LDA in eHDA revealed here is evidence for the first-order-like nature of the HDA  →  LDA transition, supporting water’s liquid-liquid transition scenarios.

Laser spot welding of cobalt-based amorphous metal foils

International Nuclear Information System (INIS)

Runchev, Dobre; Dorn, Lutc; Jaferi, Seifolah; Purbst, Detler

1997-01-01

The results concerning weldability of amorphous alloy (VAC 6025F) in shape of foils and the quality of laser-spot welded joints are presented in this paper. The aim of the research was the production of a high quality welding joint, by preserving the amorphous structure. The quality of the joint was tested by shear strength analysis and microhardness measuring. The metallographic studies were made by using optical microscope and SEM. The results show that (1) overlapped Co based amorphous metals foils can be welded with high-quality by a pulsed Nd: YAG-Laser, but only within a very narrow laser parameter window; (2) the laser welded spots show comparably high strength as the basic material; (3) the structure of the welded spot remains amorphous, so that the same characteristics as the base material can be achieved. (author)

Amorphous carbon nanofibres inducing high specific capacitance of deposited hydrous ruthenium oxide

International Nuclear Information System (INIS)

Barranco, V.; Pico, F.; Ibanez, J.; Lillo-Rodenas, M.A.; Linares-Solano, A.; Kimura, M.; Oya, A.; Rojas, R.M.; Amarilla, J.M.; Rojo, J.M.

2009-01-01

Composites consisting of ruthenium oxide particles deposited on amorphous carbon nanofibres are prepared by a repetitive impregnation procedure. The choice of amorphous carbon nanofibres as support of amorphous ruthenium oxide leads to composites in which the deposited oxide consists of aggregates of extremely small primary particles (1-1.5 nm-size) and showing high porosity (specific surface area of 450 m 2 g -1 ). This special deposition of the oxide seems to favour: (i) high oxide capacitance (1000 Fg -1 ) at high oxide loadings (up to 20 wt%) and (ii) high capacitance retention (ca. 80% from the initial oxide capacitance) at high current densities (200 mA cm -2 ). Amorphous carbon nanofibres are suitable supports for amorphous ruthenium oxide and perhaps for other amorphous oxides acting as active electrode materials.

Characterization of amorphous and nanocrystalline carbon films

International Nuclear Information System (INIS)

Chu, Paul K.; Li Liuhe

2006-01-01

Amorphous and nanocrystalline carbon films possess special chemical and physical properties such as high chemical inertness, diamond-like properties, and favorable tribological proprieties. The materials usually consist of graphite and diamond microstructures and thus possess properties that lie between the two. Amorphous and nanocrystalline carbon films can exist in different kinds of matrices and are usually doped with a large amount of hydrogen. Thus, carbon films can be classified as polymer-like, diamond-like, or graphite-like based on the main binding framework. In order to characterize the structure, either direct bonding characterization methods or the indirect bonding characterization methods are employed. Examples of techniques utilized to identify the chemical bonds and microstructure of amorphous and nanocrystalline carbon films include optical characterization methods such as Raman spectroscopy, Ultra-violet (UV) Raman spectroscopy, and infrared spectroscopy, electron spectroscopic and microscopic methods such as scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy, transmission electron microscopy, and electron energy loss spectroscopy, surface morphology characterization techniques such as scanning probe microscopy (SPM) as well as other characterization methods such as X-ray reflectivity and nuclear magnetic resonance. In this review, the structures of various types of amorphous carbon films and common characterization techniques are described

Characterization of Amorphous and Co-Amorphous Simvastatin Formulations Prepared by Spray Drying

DEFF Research Database (Denmark)

Craye, Goedele; Löbmann, Korbinian; Grohganz, Holger

2015-01-01

In this study, spray drying from aqueous solutions, using the surface-active agent sodium lauryl sulfate (SLS) as a solubilizer, was explored as a production method for co-amorphous simvastatin-lysine (SVS-LYS) at 1:1 molar mixtures, which previously have been observed to form a co...

Amorphous Cu-Ag films with high stability

International Nuclear Information System (INIS)

Reda, I.M.; Hafner, J.; Pongratz, P.; Wagendristel, A.; Bangert, H.; Bhat, P.K.

1982-06-01

Films produced by quenching Cu-Ag vapour onto cooled substrates at liquid nitrogen temperature have been investigated using electron microscopy, electron diffraction and electrical resistivity measurements. In the composition range from 30 to 70 at% Cu the as quenched films are amorphous, and within the range of 35 to 63 at% Cu the amorphous phase is stable above room temperature with a maximum crystallization temperature Tsub(c)=381 K at 47.5 at% Cu. Crystallization results in the formation of a supersaturated fcc solid solution which decomposes in a second crystallization step. The effect of deposition rate, film thickness, temperature and surface of the substrate, and most importantly of the composition on the transition temperatures has been investigated. A comparative study of the formation of amorphous phases in a wide variety of Cu-based alloys is presented. (author)

Technique for determination of elastic limit of micron band-thick amorphous

International Nuclear Information System (INIS)

Zakharov, E.K.; Pol'dyaeva, G.P.; Tret'yakov, B.N.

1984-01-01

A method is suggested to determine the elastic limit of micron-thick amorphous band under bending. The elastic limit is determined by bending an amorphous band sample around a series of cylindrical mandrels of gradually decreasing radius. Experimental data on measuring the elastic limit of some amorphous iron base alloys according to the suggested technique are presented. The elastic limit of amorphous alloys is shown to lie in the 3140-4110 MPa range depending on chemical composition, which is about 2-2.5 times higher as compared to high-strength crystal alloys

Safety procedures used during the manufacturing of amorphous silicon solar cells

Energy Technology Data Exchange (ETDEWEB)

Dickson, C R

1987-01-01

The Solarex Thin Film Division is a leader in the manufacturing of amorphous-silicon products for sale in domestic and foreign markets. Similarly, Solarex assumes a leadership role in recognizing the importance of safety in a manufacturing environment. Although many of the safety issues are similar to those in the semiconductor industry, this paper presents topics specific to amorphous silicon technology and the manufacturing ,f amorphous-silicon products. These topics are deposition of conducting transparent oxides (CTOs), amorphous silicon deposition, laser scribing, processing chemicals, fire prevention and administrative responsibilities.

Short-range order in amorphous thin films of indium selenides

International Nuclear Information System (INIS)

Zakharov, V.P.; Poltavtsev, Yu.G.; Sheremet, G.P.

1982-01-01

A structure of the short-range order and a character of interatomic interactions in indium selenides Insub(1-x)Sesub(x) with 0.333 <= x <= 0.75, obtained in the form of amorphous films 0.05-0.80 μm thick are studied using electron diffraction method. It is found out that mostly tetrahedrical coordination of nearest neighbours in the vicinity of indium atoms is characteristic for studied amorphous films, and coordination of selenium atoms is different. Amorphous film with x=0.75 posesses a considereably microheterogeneous structure of the short-range order, which is characterized by the presence of microunclusions of amorphous selenium and atoms of indium, octohedrically coordinated by selenium atoms

Immobilization technology for krypton in amorphous zeolite

International Nuclear Information System (INIS)

Takusagawa, Atsushi; Ishiyama, Keiichi

1989-01-01

Radioactive krypton recovered from the offgas of a reprocessing plant requires long-term storage on the order of 100 years. Immobilization technology for krypton into amorphous zeolite 5A is considered one of the best methods for long-term storage. In this report, conditions for immobilization treatment and stability of amorphous zeolite 5A loaded krypton against heat, radiation and water are discussed, and a treatment system using this technology is described. (author)

Structural models for amorphous transition metal binary alloys

International Nuclear Information System (INIS)

Ching, W.Y.; Lin, C.C.

1976-01-01

A dense random packing of 445 hard spheres with two different diameters in a concentration ratio of 3 : 1 was hand-built to simulate the structure of amorphous transition metal-metalloid alloys. By introducing appropriate pair potentials of the Lennard-Jones type, the structure is dynamically relaxed by minimizing the total energy. The radial distribution functions (RDF) for amorphous Fe 0 . 75 P 0 . 25 , Ni 0 . 75 P 0 . 25 , Co 0 . 75 P 0 . 25 are obtained and compared with the experimental data. The calculated RDF's are resolved into their partial components. The results indicate that such dynamically constructed models are capable of accounting for some subtle features in the RDF of amorphous transition metal-metalloid alloys

PETROLOGIC CONSTRAINTS ON AMORPHOUS AND CRYSTALLINE MAGNESIUM SILICATES: DUST FORMATION AND EVOLUTION IN SELECTED HERBIG Ae/Be SYSTEMS

International Nuclear Information System (INIS)

Rietmeijer, Frans J. M.; Nuth, Joseph A.

2013-01-01

The Infrared Space Observatory, Spitzer Space Telescope, and Herschel Space Observatory surveys provided a wealth of data on the Mg-silicate minerals (forsterite, enstatite), silica, and ''amorphous silicates with olivine and pyroxene stoichiometry'' around Herbig Ae/Be stars. These incredible findings do not resonate with the mainstream Earth Sciences because of (1) disconnecting ''astronomical nomenclature'' and the long existing mineralogical and petrologic terminology of minerals and amorphous materials, and (2) the fact that Earth scientists (formerly geologists) are bound by the ''Principle of Actualism'' that was put forward by James Hutton (1726-1797). This principle takes a process-oriented approach to understanding mineral and rock formation and evolution. This paper will (1) review and summarize the results of laboratory-based vapor phase condensation and thermal annealing experiments, (2) present the pathways of magnesiosilica condensates to Mg-silicate mineral (forsterite, enstatite) formation and processing, and (3) present mineralogical and petrologic implications of the properties and compositions of the infrared-observed crystalline and amorphous dust for the state of circumstellar disk evolution. That is, the IR-observation of smectite layer silicates in HD142527 suggests the break-up of asteroid-like parent bodies that had experienced aqueous alteration. We discuss the persistence of amorphous dust around some young stars and an ultrafast amorphous to crystalline dust transition in HD 163296 that leads to forsterite grains with numerous silica inclusions. These dust evolution processes to form forsterite, enstatite ± tridymite could occur due to amorphous magnesiosilica dust precursors with a serpentine- or smectite-dehydroxylate composition.

PETROLOGIC CONSTRAINTS ON AMORPHOUS AND CRYSTALLINE MAGNESIUM SILICATES: DUST FORMATION AND EVOLUTION IN SELECTED HERBIG Ae/Be SYSTEMS

Energy Technology Data Exchange (ETDEWEB)

Rietmeijer, Frans J. M. [Department of Earth and Planetary Sciences, MSC 03 2040, 1-University of New Mexico, Albuquerque, NM 87131-001 (United States); Nuth, Joseph A., E-mail: fransjmr@unm.edu [Astrochemistry Laboratory, Solar System Exploration Division, Code 691, NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States)

2013-07-01

The Infrared Space Observatory, Spitzer Space Telescope, and Herschel Space Observatory surveys provided a wealth of data on the Mg-silicate minerals (forsterite, enstatite), silica, and ''amorphous silicates with olivine and pyroxene stoichiometry'' around Herbig Ae/Be stars. These incredible findings do not resonate with the mainstream Earth Sciences because of (1) disconnecting ''astronomical nomenclature'' and the long existing mineralogical and petrologic terminology of minerals and amorphous materials, and (2) the fact that Earth scientists (formerly geologists) are bound by the ''Principle of Actualism'' that was put forward by James Hutton (1726-1797). This principle takes a process-oriented approach to understanding mineral and rock formation and evolution. This paper will (1) review and summarize the results of laboratory-based vapor phase condensation and thermal annealing experiments, (2) present the pathways of magnesiosilica condensates to Mg-silicate mineral (forsterite, enstatite) formation and processing, and (3) present mineralogical and petrologic implications of the properties and compositions of the infrared-observed crystalline and amorphous dust for the state of circumstellar disk evolution. That is, the IR-observation of smectite layer silicates in HD142527 suggests the break-up of asteroid-like parent bodies that had experienced aqueous alteration. We discuss the persistence of amorphous dust around some young stars and an ultrafast amorphous to crystalline dust transition in HD 163296 that leads to forsterite grains with numerous silica inclusions. These dust evolution processes to form forsterite, enstatite {+-} tridymite could occur due to amorphous magnesiosilica dust precursors with a serpentine- or smectite-dehydroxylate composition.

A theoretical and spectroscopic study of co-amorphous naproxen and indomethacin

DEFF Research Database (Denmark)

Löbmann, Korbinian; Laitinen, Riikka; Grohganz, Holger

2013-01-01

. In this study, the co-amorphous drug mixture containing naproxen (NAP) and indomethacin (IND) was investigated using infrared spectroscopy (IR) and quantum mechanical calculations. The structures of both drugs were optimized as monomer, homodimer and heterodimer using density functional theory and used...... for the calculation of IR spectra. Conformational analysis confirmed that the optimized structures were suitable for the theoretical prediction of the spectra. Vibrational modes from the calculation could be matched with experimentally observed spectra for crystalline and amorphous NAP and IND, and it could be shown...... that both drugs exist as homodimers in their respective individual amorphous form. With the results from the experimental single amorphous drugs and theoretical homodimers, a detailed analysis of the experimental co-amorphous and theoretical heterodimer spectra was performed and evaluated. It is suggested...

Characterization of defects in hydrogenated amorphous silicon deposited on different substrates by capacitance techniques

International Nuclear Information System (INIS)

Darwich, R.; Roca i Cabarrocas, P.

2011-01-01

Hydrogenated amorphous silicon (a-Si:H) thin films deposited on crystalline silicon and Corning glass substrate were analyzed using different capacitance techniques. The distribution of localized states and some electronic properties were studied using the temperature, frequency and bias dependence of the Schottky barrier capacitance and deep level transient spectroscopy. Our results show that the distribution of the gap states depends on the type of substrate. We have found that the films deposited on c-Si substrate represent only one positively charged or prerelaxed neutral deep state and one interface state, while the films deposited on glass substrate have one interface state and three types of deep defect states, positively or prerelaxed neutral, neutral and negatively charged.

The Effect of Substitution of Fe By Co on Rapidly Quenched (FeCoMoCuB Amorphous Alloys

Directory of Open Access Journals (Sweden)

Marek Paluga

2005-01-01

Full Text Available (Fe1-xCox79Mo8Cu1B15 amorphous alloys ware prepared in the form of ribbons by rapid quenching for x=0. 0.25 and 0.5. The effect of variation of Co/Fe ratio is analyzed with respect to the formation of amorphous state and to transformation of the structure into nancrystalline phases formed after subsequent thermal treatment. Selected properties and atomic structure in as-quenched state are studied by TEM, AFM, XRD any by measurement of magnetoresistance characteristics. The influence of heat treatment on transport and magnetic properties is shown on temperature dependencies of electrical resistivity and magnetization. It was founf that while the increase of Co content leads to the increase of Curie temperature of as-quenched structure, transition to nanocrystalline state is not affected in a significant manner. The as-quenched state for alloy without Co was found to contain thin crystal-containing layer which, however, was observed, contary to general behavior, at the side of the ribbon exposed to higher quenching rates.

Influence of irradiation spectrum and implanted ions on the amorphization of ceramics

International Nuclear Information System (INIS)

Zinkle, S.J.; Snead, L.L.

1995-01-01

Polycrystalline Al2O3, magnesium aluminate spinel (MgAl2O4), MgO, Si3N4, and SiC were irradiated with various ions at 200-450 K, and microstructures were examined following irradiation using cross-section TEM. Amorphization was not observed in any of the irradiated oxide ceramics, despsite damage energy densities up to ∼7 keV/atom (70 displacements per atom). On the other hand, SiC readily amorphized after damage levels of ∼0.4 dpa at room temperature (RT). Si3N4 exhibited intermediate behavior; irradiation with Fe 2+ ions at RT produced amorphization in the implanted ion region after damage levels of ∼1 dpa. However, irradiated regions outside the implanted ion region did not amorphize even after damage levels > 5 dpa. The amorphous layer in the Fe-implanted region of Si3N4 did not appear if the specimen was simultaneoulsy irradiated with 1-MeV He + ions at RT. By comparison with published results, it is concluded that the implantation of certain chemical species has a pronounced effect on the amorphization threshold dose of all five materials. Intense ionizing radiation inhibits amorphization in Si3N4, but does not appear to significantly influence the amorphization of SiC

A Molecular-Level View of the Physical Stability of Amorphous Solid Dispersions

Science.gov (United States)

Yuan, Xiaoda

Many pharmaceutical compounds being developed in recent years are poorly soluble in water. This has led to insufficient oral bioavailability of many compounds in vitro. The amorphous formulation is one of the promising techniques to increase the oral bioavailability of these poorly water-soluble compounds. However, an amorphous drug substance is inherently unstable because it is a high energy form. In order to increase the physical stability, the amorphous drug is often formulated with a suitable polymer to form an amorphous solid dispersion. Previous research has suggested that the formation of an intimately mixed drug-polymer mixture contributes to the stabilization of the amorphous drug compound. The goal of this research is to better understand the role of miscibility, molecular interactions and mobility on the physical stability of amorphous solid dispersions. Methods were developed to detect different degrees of miscibility on nanometer scale and to quantify the extent of hydrogen-bonding interactions between the drug and the polymer. Miscibility, hydrogen-bonding interactions and molecular mobility were correlated with physical stability during a six-month period using three model systems. Overall, this research provides molecular-level insights into many factors that govern the physical stability of amorphous solid dispersions which can lead to a more effective design of stable amorphous formulations.

Deep-level transient spectroscopy on an amorphous InGaZnO{sub 4} Schottky diode

Energy Technology Data Exchange (ETDEWEB)

Chasin, Adrian, E-mail: adrian.chasin@imec.be; Bhoolokam, Ajay; Nag, Manoj; Genoe, Jan; Heremans, Paul [imec, Kapeldreef 75, 3001 Leuven (Belgium); ESAT, KU Leuven, Kasteelpark Arenberg 10, 3001 Leuven (Belgium); Simoen, Eddy [imec, Kapeldreef 75, 3001 Leuven (Belgium); Department of Solid State Sciences, Ghent University, Krijgslaan 281-S1, 9000 Gent (Belgium); Gielen, Georges [ESAT, KU Leuven, Kasteelpark Arenberg 10, 3001 Leuven (Belgium)

2014-02-24

The first direct measurement is reported of the bulk density of deep states in amorphous IGZO (indium-gallium-zinc oxide) semiconductor by means of deep-level transient spectroscopy (DLTS). The device under test is a Schottky diode of amorphous IGZO semiconductor on a palladium (Pd) Schottky-barrier electrode and with a molybdenum (Mo) Ohmic contact at the top. The DLTS technique allows to independently measure the energy and spatial distribution of subgap states in the IGZO thin film. The subgap trap concentration has a double exponential distribution as a function energy, with a value of ∼10{sup 19} cm{sup −3} eV{sup −1} at the conduction band edge and a value of ∼10{sup 17} cm{sup −3} eV{sup −1} at an energy of 0.55 eV below the conduction band. Such spectral distribution, however, is not uniform through the semiconductor film. The spatial distribution of subgap states correlates well with the background doping density distribution in the semiconductor, which increases towards the Ohmic Mo contact, suggesting that these two properties share the same physical origin.

Room temperature photoluminescence spectrum modeling of hydrogenated amorphous silicon carbide thin films by a joint density of tail states approach and its application to plasma deposited hydrogenated amorphous silicon carbide thin films

International Nuclear Information System (INIS)

Sel, Kıvanç; Güneş, İbrahim

2012-01-01

Room temperature photoluminescence (PL) spectrum of hydrogenated amorphous silicon carbide (a-SiC x :H) thin films was modeled by a joint density of tail states approach. In the frame of these analyses, the density of tail states was defined in terms of empirical Gaussian functions for conduction and valance bands. The PL spectrum was represented in terms of an integral of joint density of states functions and Fermi distribution function. The analyses were performed for various values of energy band gap, Fermi energy and disorder parameter, which is a parameter that represents the width of the energy band tails. Finally, the model was applied to the measured room temperature PL spectra of a-SiC x :H thin films deposited by plasma enhanced chemical vapor deposition system, with various carbon contents, which were determined by X-ray photoelectron spectroscopy measurements. The energy band gap and disorder parameters of the conduction and valance band tails were determined and compared with the optical energies and Urbach energies, obtained by UV–Visible transmittance measurements. As a result of the analyses, it was observed that the proposed model sufficiently represents the room temperature PL spectra of a-SiC x :H thin films. - Highlights: ► Photoluminescence spectra (PL) of the films were modeled. ► In the model, joint density of tail states and Fermi distribution function are used. ► Various values of energy band gap, Fermi energy and disorder parameter are applied. ► The model was applied to the measured PL of the films. ► The proposed model represented the room temperature PL spectrum of the films.

Synthesis and densification of Cu-coated Ni-based amorphous composite powders

International Nuclear Information System (INIS)

Kim, Yong-Jin; Kim, Byoung-Kee; Kim, Jin-Chun

2007-01-01

Spherical Ni 57 Zr 20 Ti 16 Si 2 Sn 3 (numbers indicate at.%) amorphous powders were produced by the gas atomization process, and ductile Cu phase was coated on the Ni-based amorphous powders by the spray drying process in order to increase the ductility of the consolidated amorphous alloy. The characteristics of the as-prepared powders and the consolidation behaviors of Cu-coated Ni-based amorphous composite powders were investigated. The atomization was conducted at 1450 deg. C under the vacuum of 10 -2 mbar. The Ni-based amorphous powders and Cu nitrate solution were mixed and sprayed at temperature of 130 deg. C. After spray drying and reduction treatment, the sub-micron size Cu powders were coated successfully on the surface of the atomized Ni amorphous powders. The spark plasma sintering process was applied to study the densification behavior of the Cu-coated composite powders. Thickness of the Cu layer was less than 1 μm. The compacts obtained by SPS showed high relative density of over 98% and its hardness was over 800 Hv

Structural, electronic, and vibrational properties of high-density amorphous silicon: a first-principles molecular-dynamics study.

Science.gov (United States)

Morishita, Tetsuya

2009-05-21

We report a first-principles study of the structural, electronic, and dynamical properties of high-density amorphous (HDA) silicon, which was found to be formed by pressurizing low-density amorphous (LDA) silicon (a normal amorphous Si) [T. Morishita, Phys. Rev. Lett. 93, 055503 (2004); P. F. McMillan, M. Wilson, D. Daisenberger, and D. Machon, Nature Mater. 4, 680 (2005)]. Striking structural differences between HDA and LDA are revealed. The LDA structure holds a tetrahedral network, while the HDA structure contains a highly distorted tetrahedral network. The fifth neighboring atom in HDA tends to be located at an interstitial position of a distorted tetrahedron composed of the first four neighboring atoms. Consequently, the coordination number of HDA is calculated to be approximately 5 unlike that of LDA. The electronic density of state (EDOS) shows that HDA is metallic, which is consistent with a recent experimental measurement of the electronic resistance of HDA Si. We find from local EDOS that highly distorted tetrahedral configurations enhance the metallic nature of HDA. The vibrational density of state (VDOS) also reflects the structural differences between HDA and LDA. Some of the characteristic vibrational modes of LDA are dematerialized in HDA, indicating the degradation of covalent bonds. The overall profile of the VDOS for HDA is found to be an intermediate between that for LDA and liquid Si under pressure (high-density liquid Si).

Creep of FINEMET alloy at amorphous to nanocrystalline transition

NARCIS (Netherlands)

Csach, K.; Miškuf, J.; Juríková, A.; Ocelík, V.

2009-01-01

The application of FINEMET-type materials with specific magnetic properties prepared by the crystallization of amorphous alloys is often limited by their brittleness. The structure of these materials consists of nanosized Fe-based grains surrounded with amorphous phase. Then the final macroscopic

Hyperfine interactions and some thermomagnetic properties of amorphous FeZr(CrNbBCu alloys

Directory of Open Access Journals (Sweden)

Łukiewska Agnieszka

2017-06-01

Full Text Available In this research, we studied the magnetic phase transition by Mössbauer spectroscopy and using vibrating sample magnetometer for amorphous Fe86-xZr7CrxNb2Cu1B4 (x = 0 or 6 alloys in the as-quenched state and after accumulative annealing in the temperature range 600-750 K. The Mössbauer investigations were carried out at room and nitrogen temperatures. The Mössbauer spectra of the investigated alloys at room temperature are characteristic of amorphous paramagnets and have a form of asymmetric doublets. However, at nitrogen temperature, the alloys behave like ferromagnetic amorphous materials. The two components are distinguished in the spectrum recorded at both room and nitrogen temperatures. The low field component in the distribution of hyperfine field induction shifts towards higher field with the annealing temperature. It is assumed that during annealing at higher temperature, due to diffusion processes, the grains of α-Fe are created in the area corresponding to this component. Both investigated alloys show the invar effect and the decrease of hyperfine field induction after annealing at 600 K for 10 min is observed. It is accompanied by the lowering of Curie temperature.

Amorphous computing in the presence of stochastic disturbances.

Science.gov (United States)

Chu, Dominique; Barnes, David J; Perkins, Samuel

2014-11-01

Amorphous computing is a non-standard computing paradigm that relies on massively parallel execution of computer code by a large number of small, spatially distributed, weakly interacting processing units. Over the last decade or so, amorphous computing has attracted a great deal of interest both as an alternative model of computing and as an inspiration to understand developmental biology. A number of algorithms have been developed that can take advantage of the massive parallelism of this computing paradigm to solve specific problems. One of the interesting properties of amorphous computers is that they are robust with respect to the loss of individual processing units, in the sense that a removal of some of them should not impact on the computation as a whole. However, much less understood is to what extent amorphous computers are robust with respect to minor disturbances to the individual processing units, such as random motion or occasional faulty computation short of total component failure. In this article we address this question. As an example problem we choose an algorithm to calculate a straight line between two points. Using this example, we find that amorphous computers are not in general robust with respect to Brownian motion and noise, but we find strategies that restore reliable computation even in their presence. We will argue that these strategies are generally applicable and not specific to the particular AC we consider, or even specific to electronic computers. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Electron-beam induced amorphization of stishovite: Silicon-coordination change observed using Si K-edge extended electron energy-loss fine structure

International Nuclear Information System (INIS)

Aken, P.A. van; Sharp, T.G.; Seifert, F.

1998-01-01

The analysis of the extended energy-loss fine structure (EXELFS) of the Si K-edge for sixfold-coordinated Si in synthetic stishovite and fourfold-coordinated Si in natural α-quartz is reported by using electron energy-loss spectroscopy (EELS) in combination with transmission electron microscopy (TEM). The stishovite Si K-edge EXELFS spectra were measured as a time-dependent series to document irradiation-induced amorphization. The amorphization was also investigated through the change in Si K- and O K-edge energy-loss near edge structure (ELNES). For α-quartz, in contrast to stishovite, electron irradiation-induced vitrification, produced no detectable changes of the EXELFS. The Si K-edge EXELFS were analysed with the classical extended X-ray absorption fine structure (EXAFS) treatment and compared to ab initio curve-waved multiple-scattering (MS) calculations of EXAFS spectra for stishovite and α-quartz. Highly accurate information on the local atomic environment of the silicon atoms during the irradiation-induced amorphization of stishovite is obtained from the EXELFS structure parameters The mean Si-O bond distance R and mean Si coordination number N changes from R=0.1775 nm and N=6 for stishovite through a disordered intermediate state (R∼0.172 nm and N∼5) to R∼0.167 nm and N∼4.5 for a nearly amorphous state similar to α-quartz (R=0.1609 nm and N=4). During the amorphization process, the Debye-Waller factor (DWF) passes through a maximum value of σ N 2 ∼83.8pm 2 as it changes from σ st 2 =51.8pm 2 for sixfold to σ qu 2 =18.4pm 2 for fourfold coordination of Si. This increase in Debye-Waller factor indicates an increase in mean-square relative displacement (MSRD) between the central silicon atom and its oxygen neighbours. Using the EXELFS data for amorphization, a new method is developed to derive the relative amounts of Si coordinations in high-pressure minerals with mixed coordination. For the radiation-induced amorphization process of

Structure and low temperature thermal relaxation of amorphized germanium

International Nuclear Information System (INIS)

Glover, C.J.; Ridgway, M.C.; Byrne, A.P.; Clerc, C.; Hansen, J.L.; Larsen, A.N.

1999-01-01

The structure of implantation-induced damage in amorphized Ge has been investigated using high resolution extended x-ray absorption fine structure spectroscopy (EXAFS). EXAFS data analysis was performed with the Cumulant Method, allowing a full reconstruction of the interatomic distance distribution (RDF). For the case of MeV implantation at -196 deg C, for an ion-dose range extending two orders of magnitude beyond that required for amorphization, a dose-dependent asymmetric RDF was determined for the amorphous phase including an increase in bond-length as a function of ion dose. Low-temperature thermal annealing resulted in structural relaxation of the amorphous phase as evidenced by a reduction in the centroid, asymmetry and width of the RDF. Such an effect was attributed to the formation (and subsequent annihilation) of three- and five-fold Co-ordinated atoms, comparing favourably to theoretical simulations of the structure of a-Ge

Low temperature hopping conduction in amorphous Gesub(x)Sesub(1-x)

International Nuclear Information System (INIS)

Mehra, R.M.; Kumar, H.; Agarwal, S.C.; Sikka, P.; Mathur, P.C.

1985-08-01

Bulk amorphous samples of Gesub(x)Sesub(1-x) (0.5<=x<=0.7) were prepared by quenching. Dc conductivity measurements were carried out in the temperature range 77-300 K. In the low temperature region, the conduction occurs due to variable range hopping in the localized states near the Fermi level. The results are explained by Mott, Pollak and Butcher's models. Butcher's model which is based on the equivalent of conduction network is compatible with the results. (author)

Short range order in amorphous polycondensates

Energy Technology Data Exchange (ETDEWEB)

Lamers, C.; Richter, D.; Schweika, W. [Forschungszentrum Juelich GmbH (Germany). Inst. fuer Festkoerperforschung; Batoulis, J.; Sommer, K. [Bayer AG, Leverkusen (Germany); Cable, J.W. [Oak Ridge National Lab., TN (United States); Shapiro, S.M. [Brookhaven National Lab., Upton, NY (United States)

1992-12-01

The static coherent structure factors S(Q) of the polymer glass Bisphenol-A-Polycarbonate and its chemical variation Bisphenol-A- Polyctherkctone- both in differently deuterated versions- have been measured by spin polarized neutron scattering. The method of spin polarization analysis provided an experimental separation of coherent and incoherent scattering and a reliable intensity calibration. Results are compared to structure factors calculated for model structures which were obtained by ``amorphous cell`` computer simulations. In general reasonable agreement is found between experiment and simulation; however, certain discrepancies hint at an insufficient structural relaxation in the amorphous cell method. 15 refs, 1 fig, 1 tab.

PDF analysis on re-crystallized structure from amorphous BiT

Energy Technology Data Exchange (ETDEWEB)

Yoneda, Yasuhiro [Japan Atomic Energy Research Institute, Synchrotron Radiation Research Center, Kouto 1-1-1, Mikazuki-cho, Sayo-gun, Hyogo 679-5148 (Japan)]. E-mail: yoneda@spring8.or.jp; Kohara, Shinji [Synchrotron Radiation Research Laboratory, Japan Synchrotron Radiation, Research Institute, Kouto 1-1-1, Mikazuki-cho, Sayo-gun, Hyogo 679-5198 (Japan); Hamazaki, Shin' ichi [Department of Electronics, Iwaki Meisei University, Iino 5-5-1, Chuohdai, Fukushima 970-8551 (Japan); Takashige, Masaaki [Department of Electronics, Iwaki Meisei University, Iino 5-5-1, Chuohdai, Fukushima 970-8551 (Japan); Mizuki, Jun' ichiro [Japan Atomic Energy Research Institute, Synchrotron Radiation Research Center, Kouto 1-1-1, Mikazuki-cho, Sayo-gun, Hyogo 679-5148 (Japan)

2005-08-15

A glass sample of composition Bi{sub 4}Ti{sub 3}O{sub 12} was prepared by rapid quenching. The as-quenched sample was confirmed to be amorphous by synchrotron X-ray measurements. The crystallization process of the amorphous sample was also investigated by high-energy X-ray diffraction and by atomic pair distribution function analysis. The perovskite layer in the crystal Bi{sub 4}Ti{sub 3}O{sub 12} is transformed to a pyrochlore structure in the amorphous sample. The amorphous sample first crystallized to a metastable phase by acquiring long-range ordering of the pyrochlore structure at T {sub cryst1}, and then secondary crystallized into a reverted Bi{sub 4}Ti{sub 3}O{sub 12} structure at T {sub cryst2}.

Amorphous metal based nanoelectromechanical switch

KAUST Repository

Mayet, Abdulilah M.; Smith, Casey; Hussain, Muhammad Mustafa

2013-01-01

Nanoelectromechanical (NEM) switch is an interesting ultra-low power option which can operate in the harsh environment and can be a complementary element in complex digital circuitry. Although significant advancement is happening in this field, report on ultra-low voltage (pull-in) switch which offers high switching speed and area efficiency is yet to be made. One key challenge to achieve such characteristics is to fabricate nano-scale switches with amorphous metal so the shape and dimensional integrity are maintained to achieve the desired performance. Therefore, we report a tungsten alloy based amorphous metal with fabrication process development of laterally actuated dual gated NEM switches with 100 nm width and 200 nm air-gap to result in <5 volts of actuation voltage (Vpull-in). © 2013 IEEE.

Amorphous metal based nanoelectromechanical switch

KAUST Repository

Mayet, Abdulilah M.

2013-04-01

Nanoelectromechanical (NEM) switch is an interesting ultra-low power option which can operate in the harsh environment and can be a complementary element in complex digital circuitry. Although significant advancement is happening in this field, report on ultra-low voltage (pull-in) switch which offers high switching speed and area efficiency is yet to be made. One key challenge to achieve such characteristics is to fabricate nano-scale switches with amorphous metal so the shape and dimensional integrity are maintained to achieve the desired performance. Therefore, we report a tungsten alloy based amorphous metal with fabrication process development of laterally actuated dual gated NEM switches with 100 nm width and 200 nm air-gap to result in <5 volts of actuation voltage (Vpull-in). © 2013 IEEE.

Nonaffinity in amorphous solids close to the jamming transition

Directory of Open Access Journals (Sweden)

Arévalo Roberto

2017-01-01

Full Text Available Nonaffinity is known to be an integral part of the response of amorphous solids. Its role is particularly relevant in particulate systems close to their jamming transition, where it dominates the elastic response. Thus, to determine the elastic properties of amorphous solids it is essential to rationalize the features of their nonaffine response. Via numerical simulations we investigate the relation between the non affine response and the vibrational properties of model amorphous materials. We show that, contrary to previous speculations, modes below the Boson peak are those mostly responsible for the nonaffine response.

Surface-Activated Amorphous Alloy Fuel Electrodes for Methanol Fuel Cell

OpenAIRE

Asahi, Kawashima; Koji, Hashimoto; The Research Institute for Iron, Steel and Other Metals; The Research Institute for Iron, Steel and Other Metals

1983-01-01

Amorphous alloy electrodes for electrochemical oxidation of methanol and its derivatives were obtained by the surface activation treatment consisting of electrodeposition of zinc on as-quenched amorphous alloy substrates, heating at 200-300℃ for 30 min, and subsequently leaching of zinc in an alkaline solution. The surface activation treatment provided a new method for the preparation of a large surface area on the amorphous alloys. The best result for oxidation of methanol, sodium formate an...

Bringing nanomagnetism to the mesoscale with artificial amorphous structures

Science.gov (United States)

Muscas, G.; Brucas, R.; Jönsson, P. E.

2018-05-01

In the quest for materials with emergent or improved properties, an effective route is to create artificial superstructures. Novel properties emerge from the coupling between the phases, but the strength of this coupling depends on the quality of the interfaces. Atomic control of crystalline interfaces is notoriously complicated and to elude that obstacle, we suggest here an all-amorphous design. Starting from a model amorphous iron alloy, we locally tune the magnetic behavior by creating boron-doped regions by means of ion implantation through a lithographic mask. This process preserves the amorphous environment, creating a non-topographic magnetic superstructure with smooth interfaces and no structural discontinuities. The absence of inhomogeneities acting as pinning centers for the magnetization reversal is demonstrated by the formation of magnetic vortexes for ferromagnetic disks as large as 20 µm in diameter embedded within a paramagnetic matrix. Rigid exchange coupling between two amorphous ferromagnetic phases in a microstructured sample is evidenced by an investigation involving first-order reversal curves. The sample consists of a soft matrix with embedded elements constituting a hard phase where the anisotropy originates from an elongated shape of the elements. We provide an intuitive explanation for the micrometer-range exchange coupling mechanism and discuss how to tailor the properties of all-amorphous superstructures.

Superlattice doped layers for amorphous silicon photovoltaic cells

Science.gov (United States)

Arya, Rajeewa R.

1988-01-12

Superlattice doped layers for amorphous silicon photovoltaic cells comprise a plurality of first and second lattices of amorphous silicon alternatingly formed on one another. Each of the first lattices has a first optical bandgap and each of the second lattices has a second optical bandgap different from the first optical bandgap. A method of fabricating the superlattice doped layers also is disclosed.

Large-Scale Structure and Hyperuniformity of Amorphous Ices

Science.gov (United States)

Martelli, Fausto; Torquato, Salvatore; Giovambattista, Nicolas; Car, Roberto

2017-09-01

We investigate the large-scale structure of amorphous ices and transitions between their different forms by quantifying their large-scale density fluctuations. Specifically, we simulate the isothermal compression of low-density amorphous ice (LDA) and hexagonal ice to produce high-density amorphous ice (HDA). Both HDA and LDA are nearly hyperuniform; i.e., they are characterized by an anomalous suppression of large-scale density fluctuations. By contrast, in correspondence with the nonequilibrium phase transitions to HDA, the presence of structural heterogeneities strongly suppresses the hyperuniformity and the system becomes hyposurficial (devoid of "surface-area fluctuations"). Our investigation challenges the largely accepted "frozen-liquid" picture, which views glasses as structurally arrested liquids. Beyond implications for water, our findings enrich our understanding of pressure-induced structural transformations in glasses.

Highly featured amorphous silicon nanorod arrays for high-performance lithium-ion batteries

International Nuclear Information System (INIS)

Soleimani-Amiri, Samaneh; Safiabadi Tali, Seied Ali; Azimi, Soheil; Sanaee, Zeinab; Mohajerzadeh, Shamsoddin

2014-01-01

High aspect-ratio vertical structures of amorphous silicon have been realized using hydrogen-assisted low-density plasma reactive ion etching. Amorphous silicon layers with the thicknesses ranging from 0.5 to 10 μm were deposited using radio frequency plasma enhanced chemical vapor deposition technique. Standard photolithography and nanosphere colloidal lithography were employed to realize ultra-small features of the amorphous silicon. The performance of the patterned amorphous silicon structures as a lithium-ion battery electrode was investigated using galvanostatic charge-discharge tests. The patterned structures showed a superior Li-ion battery performance compared to planar amorphous silicon. Such structures are suitable for high current Li-ion battery applications such as electric vehicles

Highly featured amorphous silicon nanorod arrays for high-performance lithium-ion batteries

Energy Technology Data Exchange (ETDEWEB)

Soleimani-Amiri, Samaneh; Safiabadi Tali, Seied Ali; Azimi, Soheil; Sanaee, Zeinab; Mohajerzadeh, Shamsoddin, E-mail: mohajer@ut.ac.ir [Thin Film and Nanoelectronics Lab, Nanoelectronics Center of Excellence, School of Electrical and Computer Engineering, University of Tehran, Tehran 143957131 (Iran, Islamic Republic of)

2014-11-10

High aspect-ratio vertical structures of amorphous silicon have been realized using hydrogen-assisted low-density plasma reactive ion etching. Amorphous silicon layers with the thicknesses ranging from 0.5 to 10 μm were deposited using radio frequency plasma enhanced chemical vapor deposition technique. Standard photolithography and nanosphere colloidal lithography were employed to realize ultra-small features of the amorphous silicon. The performance of the patterned amorphous silicon structures as a lithium-ion battery electrode was investigated using galvanostatic charge-discharge tests. The patterned structures showed a superior Li-ion battery performance compared to planar amorphous silicon. Such structures are suitable for high current Li-ion battery applications such as electric vehicles.

Amorphous calcium carbonate particles form coral skeletons

Science.gov (United States)

Mass, Tali; Giuffre, Anthony J.; Sun, Chang-Yu; Stifler, Cayla A.; Frazier, Matthew J.; Neder, Maayan; Tamura, Nobumichi; Stan, Camelia V.; Marcus, Matthew A.; Gilbert, Pupa U. P. A.

2017-09-01

Do corals form their skeletons by precipitation from solution or by attachment of amorphous precursor particles as observed in other minerals and biominerals? The classical model assumes precipitation in contrast with observed “vital effects,” that is, deviations from elemental and isotopic compositions at thermodynamic equilibrium. Here, we show direct spectromicroscopy evidence in Stylophora pistillata corals that two amorphous precursors exist, one hydrated and one anhydrous amorphous calcium carbonate (ACC); that these are formed in the tissue as 400-nm particles; and that they attach to the surface of coral skeletons, remain amorphous for hours, and finally, crystallize into aragonite (CaCO3). We show in both coral and synthetic aragonite spherulites that crystal growth by attachment of ACC particles is more than 100 times faster than ion-by-ion growth from solution. Fast growth provides a distinct physiological advantage to corals in the rigors of the reef, a crowded and fiercely competitive ecosystem. Corals are affected by warming-induced bleaching and postmortem dissolution, but the finding here that ACC particles are formed inside tissue may make coral skeleton formation less susceptible to ocean acidification than previously assumed. If this is how other corals form their skeletons, perhaps this is how a few corals survived past CO2 increases, such as the Paleocene-Eocene Thermal Maximum that occurred 56 Mya.

[Stability of physical state on compound hawthorn dropping pills].

Science.gov (United States)

Zhang, Wei; Chen, Hong-Yan; Jiang, Jian-Lan

2008-11-01

To evaluate the stability of physical state with accelerate test and dropping in process before and after on compound hawthorn dropping pills. Scanning electron microscope, TG-DTA, FT-IR and XRD were used. The active components presented amorphous, tiny crystal and molecular state in dropping pills, and it had no obvious reaction between PEG 4000 and active components. With time prolonging, a little of active components changed from amorphous state to tiny crystal or molecular state. Solid dispersion improved the stability and dissolution of compound hawthorn dropping pills.

Achievement report on Sunshine Program research and development for fiscal 1981. Research and development of amorphous solar cells (Optical research of electronic state in amorphous silicon); 1981 nendo amorphous silicon no denshi jotai no kagakuteki kenkyu seika hokokusho. Amorphous taiyo denchi no kenkyu kaihatsu

Energy Technology Data Exchange (ETDEWEB)

NONE

1982-03-01

The basic physical properties of glow discharge-decomposed amorphous silicon film are studied. The performance of an a-Si p-i-n (amorphous silicon positive-intrinsic-negative) junction solar cell is found to be greatly affected by the binding of carriers along the p-i or i-n interface. A new concept is introduced, which is useful in the study of the photo-produced carrier collection process. The distance between the plasma excitation center and the substrate and the intensity of the electric field just above the substrate are changed systematically for the evaluation of film quality and for the study of film formation mechanism. It is found that plasma excitation as a mechanism of film deposition, the transportation of excited seeds to the substrate, and the incorporation of film constituting atoms into the film are important. A high-speed ion beam technique is used for the analysis of impurities. In the case of a-Si or a-SiC deposition by glow discharge decomposition, metallic Sn or In is deposited along the interface and diffused into the deposited film. The diffusion is closely related to the performance of solar cells, and a 2-layer structure incorporating the merits of both ITO (indium-tin oxide) and SnO{sub 2} films is found suitable for this purpose. Using an a-SiC:H/a-Si:H heterojunction solar cell, a conversion efficiency of 8.04% is achieved. (NEDO)

Pair distribution functions of amorphous organic thin films from synchrotron X-ray scattering in transmission mode

Directory of Open Access Journals (Sweden)

Chenyang Shi

2017-09-01

Full Text Available Using high-brilliance high-energy synchrotron X-ray radiation, for the first time the total scattering of a thin organic glass film deposited on a strongly scattering inorganic substrate has been measured in transmission mode. The organic thin film was composed of the weakly scattering pharmaceutical substance indomethacin in the amorphous state. The film was 130 µm thick atop a borosilicate glass substrate of equal thickness. The atomic pair distribution function derived from the thin-film measurement is in excellent agreement with that from bulk measurements. This ability to measure the total scattering of amorphous organic thin films in transmission will enable accurate in situ structural studies for a wide range of materials.

On the density of states of disordered epitaxial graphene

International Nuclear Information System (INIS)

Davydov, S. Yu.

2015-01-01

The study is concerned with two types of disordered epitaxial graphene: (i) graphene with randomly located carbon vacancies and (ii) structurally amorphous graphene. The former type is considered in the coherent potential approximation, and for the latter type, a model of the density of states is proposed. The effects of two types of substrates, specifically, metal and semiconductor substrates are taken into account. The specific features of the density of states of epitaxial graphene at the Dirac point and the edges of the continuous spectrum are analyzed. It is shown that vacancies in epitaxial graphene formed on the metal substrate bring about logarithmic nulling of the density of states of graphene at the Dirac point and the edges of the continuous spectrum. If the Dirac point corresponds to the middle of the band gap of the semiconductor substrate, the linear trend of the density of states to zero in the vicinity of the Dirac point in defect-free graphene transforms into a logarithmic decrease in the presence of vacancies. In both cases, the graphene-substrate interaction is assumed to be weak (quasi-free graphene). In the study of amorphous epitaxial graphene, a simple model of free amorphous graphene is proposed as the initial model, in which account is taken of the nonzero density of states at the Dirac point, and then the interaction of the graphene sheet with the substrate is taken into consideration. It is shown that, near the Dirac point, the quadratic behavior of the density of states of free amorphous graphene transforms into a linear dependence for amorphous epitaxial graphene. In the study, the density of states of free graphene corresponds to the low-energy approximation of the electron spectrum

Open circuit voltage-decay behavior in amorphous p-i-n solar due to injection

Science.gov (United States)

Smrity, Manu; Dhariwal, S. R.

2018-05-01

The paper deals with the basic recombination processes at the dangling bond and the band tail states at various levels of injection, expressed in terms of short-circuit current density and their role in the behavior of amorphous solar cells. As the level of injection increases the fill factor decreases whereas the open circuit voltage increases very slowly, showing a saturation tendency. Calculations have been done for two values of tail state densities and shows that with an increase in tail state densities both, the fill factor and open circuit voltage decreases, results an overall degradation of the solar cell.

Photoelectron emission yield experiments on evolution of sub-gap states in amorphous In-Ga-Zn-O thin films with post deposition hydrogen treatment

International Nuclear Information System (INIS)

Hayashi, Kazushi; Hino, Aya; Tao, Hiroaki; Ochi, Mototaka; Goto, Hiroshi; Kugimiya, Toshihiro

2015-01-01

Total photoyield emission spectroscopy (TPYS) was applied to study the evolution of sub-gap states in hydrogen-treated amorphous In-Ga-Zn-O (a-IGZO) thin films. The a-IGZO thin films were subjected to hydrogen radicals and subsequently annealed in ultra-high vacuum (UHV) conditions. A clear onset of the electron emission was observed at around 4.3 eV from the hydrogen-treated a-IGZO thin films. After successive UHV annealing at 300 °C, the onset in the TPYS spectra was shifted to 4.15 eV, and the photoelectron emission from the sub-gap states was decreased as the annealing temperature was increased. In conjunction with the results of thermal desorption spectrometer, it was deduced that the hydrogen atoms incorporated in the a-IGZO thin films induced metastable sub-gap states at around 4.3 eV from vacuum level just after the hydrogenation. It was also suggested that the defect configuration was changed due to the higher temperature UHV annealing, and that the hydrogen atoms desorbed with the involvement of Zn atoms. These experiments produced direct evidence to show the formation of sub-gap states as a result of hydrogen incorporation into the a-IGZO thin films

Photoelectron emission yield experiments on evolution of sub-gap states in amorphous In-Ga-Zn-O thin films with post deposition hydrogen treatment

Energy Technology Data Exchange (ETDEWEB)

Hayashi, Kazushi, E-mail: hayashi.kazushi@kobelco.com; Hino, Aya; Tao, Hiroaki; Ochi, Mototaka; Goto, Hiroshi; Kugimiya, Toshihiro [Electronics Research Laboratory, Kobe Steel, Ltd., 1-5-5 Takatsuka-dai, Nishi-ku, Kobe 651-2271 (Japan)

2015-09-14

Total photoyield emission spectroscopy (TPYS) was applied to study the evolution of sub-gap states in hydrogen-treated amorphous In-Ga-Zn-O (a-IGZO) thin films. The a-IGZO thin films were subjected to hydrogen radicals and subsequently annealed in ultra-high vacuum (UHV) conditions. A clear onset of the electron emission was observed at around 4.3 eV from the hydrogen-treated a-IGZO thin films. After successive UHV annealing at 300 °C, the onset in the TPYS spectra was shifted to 4.15 eV, and the photoelectron emission from the sub-gap states was decreased as the annealing temperature was increased. In conjunction with the results of thermal desorption spectrometer, it was deduced that the hydrogen atoms incorporated in the a-IGZO thin films induced metastable sub-gap states at around 4.3 eV from vacuum level just after the hydrogenation. It was also suggested that the defect configuration was changed due to the higher temperature UHV annealing, and that the hydrogen atoms desorbed with the involvement of Zn atoms. These experiments produced direct evidence to show the formation of sub-gap states as a result of hydrogen incorporation into the a-IGZO thin films.

Improvement of the physicochemical properties of Co-amorphous naproxen-indomethacin by naproxen-sodium

DEFF Research Database (Denmark)

Beyer, Andreas; Grohganz, Holger; Löbmann, Korbinian

2017-01-01

Improvement of the physicochemical properties of amorphous active pharmaceutical ingredients (APIs) applying the concept of co-amorphisation is a promising alternative to the use of polymer glass solutions. In co-amorphous systems, the physical stability and the dissolution rate of the involved c...... or full exchange of naproxen by its sodium salt was performed, which may present a general optimization method to improve co-amorphous systems....... In the present study, it was thus tested if the physicochemical properties of co-amorphous naproxen-indomethacin could be optimized by incorporation of the naproxen sodium into the system. Three different co-amorphous systems in nine different molar ratios were prepared by quench-cooling: naproxen...... components may be improved in comparison to the respective single amorphous phases. However, for the co-amorphous naproxen-indomethacin model system it has been reported that recrystallization could not be prevented for more than 112days regardless of the applied preparation method and blend ratio...

Influence of amorphous layers on the thermal conductivity of phononic crystals

Science.gov (United States)

Verdier, Maxime; Lacroix, David; Didenko, Stanislav; Robillard, Jean-François; Lampin, Evelyne; Bah, Thierno-Moussa; Termentzidis, Konstantinos

2018-03-01

The impact of amorphous phases around the holes and at the upper and lower free surfaces on thermal transport in silicon phononic membranes is studied. By means of molecular dynamics and Monte Carlo simulations, we explore the impact of the amorphous phase (oxidation and amorphous silicon), surfaces roughness, and a series of geometric parameters on thermal transport. We show that the crystalline phase drives the phenomena; the two main parameters are (i) the crystalline fraction between two holes and (ii) the crystalline thickness of the membranes. We reveal the hierarchical impact of nanostructurations on the thermal conductivity, namely, from the most resistive to the less resistive: the creation of holes, the amorphous phase around them, and the amorphization of the membranes edges. The surfaces or interfaces perpendicular to the heat flow hinder the thermal conductivity to a much greater extent than those parallel to the heat flow.

A fax-machine amorphous silicon sensor for X-ray detection

Energy Technology Data Exchange (ETDEWEB)

Alberdi, J. [Association EURATOM/CIEMAT, Madrid (Spain); Barcala, J.M. [Association EURATOM/CIEMAT, Madrid (Spain); Chvatchkine, V. [Association EURATOM/CIEMAT, Madrid (Spain); Ioudine, I. [Association EURATOM/CIEMAT, Madrid (Spain); Molinero, A. [Association EURATOM/CIEMAT, Madrid (Spain); Navarrete, J.J. [Association EURATOM/CIEMAT, Madrid (Spain); Yuste, C. [Association EURATOM/CIEMAT, Madrid (Spain)

1996-10-01

Amorphous silicon detectors have been used, basically, as solar cells for energetics applications. As light detectors, linear sensors are used in fax and photocopier machines because they can be built with a large size, low price and have a high radiation hardness. Due to these performances, amorphous silicon detectors have been used as radiation detectors, and, presently, some groups are developing matrix amorphous silicon detectors with built-in electronics for medical X-ray applications. Our group has been working on the design and development of an X-ray image system based on a commercial fax linear amorphous silicon detector. The sensor scans the selected area and detects light produced by the X-ray in a scintillator placed on the sensor. Image-processing software produces a final image with better resolution and definition. (orig.).

Recoil-free Fraction in Amorphous and Nanocrystalline Aluminium Based Alloys

Science.gov (United States)

Sitek, Jozef

2008-10-01

Aluminium based rapidly quenched alloys of nominal composition Al90Fe7Nb3 and Al94Fe2V4 were studied by Mössbauer spectroscopy. We have measured the recoil-free fraction and thermal shift at room and liquid nitrogen temperature. The frequency modes of atomic vibrations were determined and consequently the characteristic Debye temperature was derived. Characteristic temperature calculated from f-factor was lower than those fitted from second order Doppler shift. This indicates the presence of different frequency modes for amorphous and nanocrystalline states.

Structure-Property Relationships in Amorphous Transparent Conducting Oxides

Science.gov (United States)

Moffitt, Stephanie Lucille

Over the last 20 years a new field of amorphous transparent conducting oxides (a-TCOs) has developed. The amorphous nature of these films makes them well suited for large area applications. In addition, a-TCOs can be made at low temperatures and through solution processing methods. These assets provide promising opportunities to improve applications such as solar cells and back-lit displays where traditional crystalline TCOs are used. In addition, it opens the door for new technological applications including the possibility for transparent, flexible electronics. Despite the recent growth in this field, fundamental understanding of the true nature of conductivity and the amorphous structure in this materials system is still progressing. To develop a greater understanding of a-TCOs, structure-property relationships were developed in the a-IGO and a-IZO systems. From the combination of element-specific local structure studies and liquid quench molecular dynamics simulations it is clear that a degree of structure remains in a-TCOs. By understanding this structure, the effect of gallium on thermal stability, carrier concentration and carrier mobility is understood. The source of charge carriers in a-IZO is identified as oxygen vacancies through the application of in situ Brouwer analysis. The continued development of the Brouwer analysis technique for use in amorphous oxides adds to the available methods for studying defects in amorphous systems. Finally, the foundational knowledge gained from the in-depth study of a-IGO was extended to understand the role of combustion processing and pulsed laser deposition as growth methods for transistors based on a-IGO.

Tunable Curie temperature around room temperature and magnetocaloric effect in ternary Ce–Fe–B amorphous ribbons

International Nuclear Information System (INIS)

Li, Zhu-bai; Zhang, Le-le; Zhang, Xue-feng; Li, Yong-feng; Zhao, Qian; Zhao, Tong-yun; Shen, Bao-gen

2017-01-01

Ce 13−x Fe 81+x B 6 ( x   =  0, 0.5, 1, 1.5, and 2) amorphous magnets were prepared by melt-spinning method. These magnets are magnetically soft at low temperature, and undergo a second-order phase transition from ferromagnetic to paramagnetic state near room temperature with a broad temperature span. The phase-transition temperature is tunable by the variation of the Ce/Fe atomic ratio, which is mainly due to the change of the coordination number of Fe atoms in these ternary Ce–Fe–B amorphous magnets. Though the entropy change is low, the refrigeration capacities are in the ranges of 116–150 J kg −1 and 319–420 J kg −1 , respectively, for the magnetic field changes of 0–2 T and 0–5 T, which is comparable with those of conventional magnetic materials for room-temperature refrigeration. Given the low cost of Fe and Ce, Ce–Fe–B amorphous magnets are attractive magnetic refrigerant candidates. (paper)

Structure of amorphous sulfur

CSIR Research Space (South Africa)

Eichinger, BE

2001-06-01

Full Text Available The lambda-transition of elemental sulfur occurring at about 159°C has long been associated with the conversion of cyclic S8 rings (c-S8) to amorphous polymer (a-S) via a ring opening polymerization. It is demonstrated, with the use of both density...

Amorphous Computing: A Research Agenda for the Near Future

Czech Academy of Sciences Publication Activity Database

Wiedermann, Jiří

2012-01-01

Roč. 11, č. 1 (2012), s. 59-63 ISSN 1567-7818 R&D Projects: GA ČR GAP202/10/1333 Institutional research plan: CEZ:AV0Z10300504 Keywords : amorphous computing * nano-machines * flying amorphous computer Subject RIV: IN - Informatics, Computer Science Impact factor: 0.683, year: 2012

Radiation damage in amorphous solids - a computer simulation

International Nuclear Information System (INIS)

Chaki, T.K.; Li, J.C.M.

1984-01-01

It is known for crystalline materials that injection of high energy atoms introduces point defects. The nature of defects is not known for amorphous solids. So a molecular dynamic simulation of radiation damage in an amorphous metal was carried out. An amorphous structure of 685 atoms with periodic boundary conditions in all 3 dimensions was equilibrated first. Then one atom on the surface was given a high initial velocity so it was injected inward. Radial temperature distribution around the line of injection was calculated as a function of time. Void distribution and its evolution with time in the direction of injection was calculated by counting the atomic centers in thin slabs perpendicular to the line of injection. The swelling of the whole solid was calculated also. Some results are compared with experiments

The Effect of Spatial Heterogeneities on Nucleation Kinetics in Amorphous Aluminum Alloys

Science.gov (United States)

Shen, Ye

The mechanical property of the Al based metallic glass could be enhanced significantly by introducing the high number density of Al-fcc nanocrystals (1021 ˜1023 m-3) to the amorphous matrix through annealing treatments, which motivates the study of the nucleation kinetics for the microstructure control. With the presence of a high number density (1025 m-3) of aluminum-like medium range order (MRO), the Al-Y-Fe metallic glass is considered to be spatially heterogeneous. Combining the classical nucleation theory with the structural configuration, a MRO seeded nucleation model has been proposed and yields theoretical steady state nucleation rates consistent with the experimental results. In addition, this model satisfies all the thermodynamic and kinetic constraints to be reasonable. Compared with the Al-Y-Fe system, the primary crystallization onset temperature decreases significantly and the transient delay time (tau) is shorter in the Al-Y-Fe-Pb(In) systems because the insoluble Pb and In nanoparticles in the amorphous matrix served as extrinsic spatial heterogeneity to provide the nucleation sites for Al-fcc precipitation and the high-resolution transmission electron microscopy (HRTEM) images of the Pb-Al interface revealed a good wetting behavior between the Al and Pb nanoparticles. The study of the transient delay time (tau) could provide insight on the transport behavior during the nucleation and a more convenient approach to evaluate the delay time has been developed by measuring the Al-Y-Fe amorphous alloy glass transition temperature (Tg) shift with the increasing annealing time (tannealing) in FlashDSC. The break point in the Tg vs. log(tannealing) plot has been identified to correspond to the delay time by the TEM characterization. FlashDSC tests with different heating rates and different compositions (Al-Y-Fe-Pb and Zn-Mg-Ca-Yb amorphous alloys) further confirmed the break point and delay time relationship. The amorphous matrix composition and the

Study on the substrate-induced crystallisation of amorphous SiC-precursor ceramics. TIB/A; Untersuchungen zur substratinduzierten Kristallisation amorpher SiC-Precursorkeramiken

Energy Technology Data Exchange (ETDEWEB)

Rau, C.

2000-12-01

In the present thesis the crystallization behaviour of amorphous silicon-carbon materials (SiC{sub x}) was studied. The main topic of the experimental studies formed thereby the epitactical crystallization of thin silicon carbide layers on monocrystalline substrates of silicon carbides or silicon. Furthermore by thermolysis of the polymer amorphous SiC{sub x}-powder was obtained.

Device and material characterization and analytic modeling of amorphous silicon thin film transistors

Science.gov (United States)

Slade, Holly Claudia

Hydrogenated amorphous silicon thin film transistors (TFTs) are now well-established as switching elements for a variety of applications in the lucrative electronics market, such as active matrix liquid crystal displays, two-dimensional imagers, and position-sensitive radiation detectors. These applications necessitate the development of accurate characterization and simulation tools. The main goal of this work is the development of a semi- empirical, analytical model for the DC and AC operation of an amorphous silicon TFT for use in a manufacturing facility to improve yield and maintain process control. The model is physically-based, in order that the parameters scale with gate length and can be easily related back to the material and device properties. To accomplish this, extensive experimental data and 2D simulations are used to observe and quantify non- crystalline effects in the TFTs. In particular, due to the disorder in the amorphous network, localized energy states exist throughout the band gap and affect all regimes of TFT operation. These localized states trap most of the free charge, causing a gate-bias-dependent field effect mobility above threshold, a power-law dependence of the current on gate bias below threshold, very low leakage currents, and severe frequency dispersion of the TFT gate capacitance. Additional investigations of TFT instabilities reveal the importance of changes in the density of states and/or back channel conduction due to bias and thermal stress. In the above threshold regime, the model is similar to the crystalline MOSFET model, considering the drift component of free charge. This approach uses the field effect mobility to take into account the trap states and must utilize the correct definition of threshold voltage. In the below threshold regime, the density of deep states is taken into account. The leakage current is modeled empirically, and the parameters are temperature dependent to 150oC. The capacitance of the TFT can be

Thermodynamical modeling of nuclear glasses: coexistence of amorphous phases; Modelisation thermodynamique des verres nucleaires: coexistence entre phases amorphes

Energy Technology Data Exchange (ETDEWEB)

Adjanor, G

2007-11-15

Investigating the stability of borosilicate glasses used in the nuclear industry with respect to phase separation requires to estimate the Gibbs free energies of the various phases appearing in the material. In simulation, using current computational resources, a direct state-sampling of a glassy system with respect to its ensemble statistics is not ergodic and the estimated ensemble averages are not reliable. Our approach consists in generating, at a given cooling rate, a series of quenches, or paths connecting states of the liquid to states of the glass, and then in taking into account the probability to generate the paths leading to the different glassy states in ensembles averages. In this way, we introduce a path ensemble formalism and calculate a Landau free energy associated to a glassy meta-basin. This method was validated by accurately mapping the free energy landscape of a 38-atom glassy cluster. We then applied this approach to the calculation of the Gibbs free energies of binary amorphous Lennard-Jones alloys, and checked the correlation between the observed tendencies to order or to phase separate and the computed Gibbs free energies. We finally computed the driving force to phase separation in a simplified three-oxide nuclear glass modeled by a Born-Mayer-Huggins potential that includes a three-body term, and we compared the estimated quantities to the available experimental data. (author)

Theory of the transition temperature of superconducting amorphous transition metals

International Nuclear Information System (INIS)

Zwicknagel, G.

1979-11-01

In the present paper first the transition temperature Tsub(c) is shown to be a local quantity, which depends on the (average) short range order, and second it is demonstrated how to calculate local electronic properties in the framework of a short range order model and the transition temperature of amorphous systems based on accepted structure models of the amorphous state. In chapter I the theoretical basis of this work is presented in brief. The model used to study the role of short range order (in periodically ordered as well as in disordered system) is described in chapter II. The results of this model for the periodically ordered case are compared in chapter III with band structure calculations. In chapter IV it is shown how to establish short range order models for disordered systems and what kind of information can be obtained with respect to the electronic properties. Finally in chapter V it is discussed to what extend the interpretation of the transition temperature Tsub(c) as being determined by short range order effects can be supported by the electronic properties, which are calculated in the chapters III and IV. (orig.) [de

Amorphous silicon cells for the measurement of photosynthetically active radiation; Utilisation des cellules au silicium amorphe pour la mesure du rayonnement photosynthétiquement actif (400-700 nm)

Energy Technology Data Exchange (ETDEWEB)

Chartier, M. [Institut National de la Recherche Agronomique, Thiverval-Grignon (France); Bonchretien, P.; Allirand, J. M.; Gosse, G.

1989-07-01

Numerical simulation and experimental measurements from amorphous silicon cells in comparison with these now used in ecophysiology illustrate the interest of amorphous silicon cells for the measurement of PAR incident, reflected, and transmitted below the canopy [French] La simulation et la confrontation expérimentale ces réponses des cellules au silicium amorphe par rapport à celles des capteurs existants montrent l’intérêt des cellules au silicium amorphe pour la mesure du rayonnement PAR (exprimé en densité de flux de photons) incident, réfléchi et transmis sous un couvert végétal.

Krypton-85 storage in sputter-deposited amorphous metals

International Nuclear Information System (INIS)

Tingey, G.L.; McClanahan, E.D.; Lytle, J.M.; Gordon, N.R.; Knoll, R.W.

1982-06-01

After comparing options for storing radioactive krypton gas, the United States Department of Energy selected ion implantation of the gas into a sputter-deposited metal matrix as the reference process. This technique is being developed with pilot-scale testing and further characterization of the deposited product. The process involves implanting krypton atoms into a growing deposit during the sputtering process. An amorphous metal deposit of nominal composition Ni 0 81 La 0 09 Kr 0 10 has been selected for further studies because of the high krypton loading, high sputtering yield, relatively low cost of the metallic components, resistance to corrosion, and stability of the product. The krypton release from this amorphous metal is described as an activated diffusion process which increases linearly with the square root of time. Studies of krypton release rate as a function of temperature were completed and an activation energy for the diffusion of 70 kcal/mole obtained. From these data, we estimated that the krypton release during the first ten years would be 0.5% for a maximum temperature of 350 0 C. The actual release of the krypton during storage was projected to be lower by a factor of 10 7 with the maximum temperature only 220 0 C. Thermal analysis studies show two energy releases occurring with krypton-containing alloys: one associated with recrystallization of the amorphous alloy and a second associated with krypton release. The total energy release between 100 and 800 0 C was less than 50 cal/g. Estimates are given for the cost of operation of the ion implantation process for solidification of the krypton-85 from a 2000-tonne heavy metal/year reprocessing plant. The present value costs, in 1981 dollars including capital and operating costs and assuming a 30-year life, are about $26M for the lifetime of the plant. Annual energy consumption of the process was estimated to be 3.9 M kWh/year