Effects of thermal relaxation on an amorphous superconducting Zr--Rh alloy

International Nuclear Information System (INIS)

Drehman, A.J.; Johnson, W.L.

1978-05-01

The electronic and superconducting properties of an amorphous transition metal alloy are used to evaluate the effects of low temperature annealing. It is observed that the superconducting transition temperature and the electrical resistivity relax exponentially in time from their initial value to a final relaxed value. From this an activation energy for the relaxation process is derived and an explanation is suggested which involves internal stress

Structure relaxation effect on superconductive properties of amorphous metallic ZrΛ9Λ0BΛ3SiΛ7 alloy

International Nuclear Information System (INIS)

Zolotukhin, I.V.; Zheleznyj, V.S.; Rudyj, S.D.; Fedorov, V.M.

1985-01-01

The effect of structural relaxation on electronand phonon spectra and electron-phonon interaction of Zr 90 B 3 Si 7 amorphous alloy is investigated. The specific electric conductivity rho 293 , superconducting transition temperature Tsub(c), critical magnetic field Bsub(c) (near Tsub(c)) and the Young modulus E 293 were measured. The Debye temperature THETA sub(D), electron state density on the Fermi surface N(O electron-phonon interaction constant lambda) mean square of a matrix element and the Hopfeld parameter were calculated. Experimental data show that Tsub(c) decreases during the structural relaxation of amorphous alloy in spite of increasing THETA sub(D) and N(O). However, the calculations show that during the structural relaxation the matrix element of the electron-phonon inte raction decreases with a simultaneous lambda decrease and an insignificant change in the Hopfeld parameter

Molecular relaxation behavior and isothermal crystallization above glass transition temperature of amorphous hesperetin.

Science.gov (United States)

Shete, Ganesh; Khomane, Kailas S; Bansal, Arvind Kumar

2014-01-01

The purpose of this paper was to investigate the relaxation behavior of amorphous hesperetin (HRN), using dielectric spectroscopy, and assessment of its crystallization kinetics above glass transition temperature (Tg ). Amorphous HRN exhibited both local (β-) and global (α-) relaxations. β-Relaxation was observed below Tg , whereas α-relaxation prominently emerged above Tg . β-Relaxation was found to be of Johari-Goldstein type and was correlated with α-process by coupling model. Secondly, isothermal crystallization experiments were performed at 363 K (Tg + 16.5 K), 373 K (Tg + 26.5 K), and 383 K (Tg + 36.5 K). The kinetics of crystallization, obtained from the normalized dielectric strength, was modeled using the Avrami model. Havriliak-Negami (HN) shape parameters, αHN and αHN .βHN , were analyzed during the course of crystallization to understand the dynamics of amorphous phase during the emergence of crystallites. HN shape parameters indicated that long range (α-like) were motions affected to a greater extent than short range (β-like) motions during isothermal crystallization studies at all temperature conditions. The variable behavior of α-like motions at different isothermal crystallization temperatures was attributed to evolving crystallites with time and increase in electrical conductivity with temperature. © 2013 Wiley Periodicals, Inc. and the American Pharmacists Association.

Structural, electronic, and vibrational properties of high-density amorphous silicon: a first-principles molecular-dynamics study.

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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).

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.

Relaxation processes and structural transformations in amorphous Co-Fe-Si-B alloys

International Nuclear Information System (INIS)

Dus-Sitek, M.; Olszowski, Z.

1994-01-01

The thermostimulated electron emission (TSEE) method was applied for determination of relaxation and crystallization processes in amorphous alloys. By using the analogy of DTA-method, the activation energy of relaxation and crystallization processes has been determined from the measurements of changes of TSEE temperature maxima depending on the heating rate

Thermal relaxation of magnetic clusters in amorphous Hf57Fe43 alloy

International Nuclear Information System (INIS)

Pajic, Damir; Zadro, Kreso; Ristic, Ramir; Zivkovic, Ivica; Skoko, Zeljko; Babic, Emil

2007-01-01

The magnetization processes in binary magnetic/non-magnetic amorphous alloy Hf 57 Fe 43 are investigated by the detailed measurement of magnetic hysteresis loops, temperature dependence of magnetization, relaxation of magnetization and magnetic ac susceptibility, including a nonlinear term. Blocking of magnetic moments at lower temperatures is accompanied by the slow relaxation of magnetization and magnetic hysteresis loops. All of the observed properties are explained by the superparamagnetic behaviour of the single domain magnetic clusters inside the non-magnetic host, their blocking by the anisotropy barriers and thermal fluctuation over the barriers accompanied by relaxation of magnetization. From magnetic viscosity analysis based on thermal relaxation over the anisotropy barriers it is found that magnetic clusters occupy the characteristic volume from 25 up to 200 nm 3 . The validity of the superparamagnetic model of Hf 57 Fe 43 is based on the concentration of iron in the Hf 100-x Fe x system that is just below the threshold for long range magnetic ordering. This work also throws more light on the magnetic behaviour of other amorphous alloys

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

Influence of sample preparation on the transformation of low-density to high-density amorphous ice: An explanation based on the potential energy landscape

Science.gov (United States)

Giovambattista, Nicolas; Starr, Francis W.; Poole, Peter H.

2017-07-01

Experiments and computer simulations of the transformations of amorphous ices display different behaviors depending on sample preparation methods and on the rates of change of temperature and pressure to which samples are subjected. In addition to these factors, simulation results also depend strongly on the chosen water model. Using computer simulations of the ST2 water model, we study how the sharpness of the compression-induced transition from low-density amorphous ice (LDA) to high-density amorphous ice (HDA) is influenced by the preparation of LDA. By studying LDA samples prepared using widely different procedures, we find that the sharpness of the LDA-to-HDA transformation is correlated with the depth of the initial LDA sample in the potential energy landscape (PEL), as characterized by the inherent structure energy. Our results show that the complex phenomenology of the amorphous ices reported in experiments and computer simulations can be understood and predicted in a unified way from knowledge of the PEL of the system.

Applications of high order harmonic radiation to UVX-solids interaction: high excitation density in electronic relaxation dynamics and surface damaging

International Nuclear Information System (INIS)

De Grazia, M.

2007-12-01

The new sources of radiation in the extreme-UV (X-UV: 10-100 nm), which deliver spatially coherent, ultra-short and intense pulses, allow studying high flux processes and ultra-fast dynamics in various domains. The thesis work presents two applications of the high-order laser harmonics (HH) to solid state physics. In Part I, we describe the optimization of the harmonic for studies of X-UV/solids interaction. In Part II, we investigate effects of high excitation density in the dynamics of electron relaxation in dielectric scintillator crystals - tungstates and fluorides, using time-resolved luminescence spectroscopy. Quenching of luminescence at short time gives evidence of the competition between radiative and non-radiative recombination of self-trapped excitons (STE). The non-radiative channel is identified to mutual interaction of STE at high excitation density. In Part III, we study the X-UV induced damage mechanism in various materials, either conductor (amorphous carbon) or insulators (organic polymers, e.g., PMMA). In PMMA-Plexiglas, in the desorption regime (0.2 mJ/cm 2 , i.e., below damage threshold), the surface modifications reflect X-UV induced photochemical processes that are tentatively identified, as a function of dose: at low dose, polymer chain scission followed by the blow-up of the volatile, low-molecular fragments leads to crater formation; at high dose, cross-linking in the near-surface layer of remaining material leads to surface hardening. These promising results have great perspectives considering the performances already attained and planned in the next future in the development of the harmonic sources. (author)

Disentangling neighbors and extended range density oscillations in monatomic amorphous semiconductors.

Science.gov (United States)

Roorda, S; Martin, C; Droui, M; Chicoine, M; Kazimirov, A; Kycia, S

2012-06-22

High energy x-ray diffraction measurements of pure amorphous Ge were made and its radial distribution function (RDF) was determined at high resolution, revealing new information on the atomic structure of amorphous semiconductors. Fine structure in the second peak in the RDF provides evidence that a fraction of third neighbors are closer than some second neighbors; taking this into account leads to a narrow distribution of tetrahedral bond angles, (8.5 ± 0.1)°. A small peak which appears near 5 Å upon thermal annealing shows that some ordering in the dihedral bond-angle distribution takes place during structural relaxation. Extended range order is detected (in both a-Ge and a-Si) which persists to beyond 20 Å, and both the periodicity and its decay length increase upon thermal annealing. Previously, the effect of structural relaxation was only detected at intermediate range, involving reduced tetrahedral bond-angle distortions. These results enhance our understanding of the atomic order in continuous random networks and place significantly more stringent requirements on computer models intending to describe these networks, or their alternatives which attempt to describe the structure in terms of an arrangement of paracrystals.

Structural relaxation in an amorphous rapidly quenched cobalt-based alloy

International Nuclear Information System (INIS)

Fradin, V.; Grynszpan, R.I.; Alves, F.; Houzali, A.; Perron, J.C.

1995-01-01

An amorphous melt-spun Co-based alloy (Metglas 2705 MN) is investigated by Doppler Broadening and Positron Lifetime techniques in order to follow the microstructural changes yielded by isochronal annealings before crystallization. The results are correlated with those of Differential Scanning Calorimetry and Coercive Field measurements. The quenched empty spaces underlined by Lifetime measurements are less than one atomic volume in size and migrate without clustering in larger voids. Both Positron Annihilation and Coercive Field investigations suggest that the overall decrease of free volume related to structural relaxation in this amorphous material, proceeds mainly via compositional short-range ordering. These local chemical rearrangements which lead to a partial disorientation of the magnetic moments act as strong pinning points for Bloch Walls. (orig.)

Structures of high and low density amorphous ice by neutron diffraction

International Nuclear Information System (INIS)

Finney, J.L.; Hallbrucker, A.; Kohl, I.; Soper, A.K.; Bowron, D.T.

2002-01-01

Neutron diffraction with isotope substitution is used to determine the structures of high (HDA) and low (LDA) density amorphous ice. Both 'phases' are fully hydrogen bonded, tetrahedral networks, with local order similarities between LDA and ice Ih, and HDA and liquid water. Moving from HDA, through liquid water and LDA to ice Ih, the second shell radial order increases at the expense of spatial order. This is linked to a fifth first neighbor 'interstitial' that restricts the orientations of first shell waters. This 'lynch pin' molecule which keeps the HDA structure intact has implications for the nature of the HDA-LDA transition that bear on the current metastable water debate

Structural Relaxations and Thermodynamic Properties of Molecular Amorphous Solids by Mechanical Milling

Science.gov (United States)

Tsukushi, I.; Yamamuro, O.; Matsuo, T.

The organic crystals of tri-O-methyl-β-cyclodextrin (TMCD) and its three clathrate compounds containing benzoic acid (BA), p-nitrobenzoic acid (NBA) and p-hydroxybenzoic acid (HBA), sucrose (SUC), salicin (SAL), phenolphthalein (PP), 1,3,5-tri-α-naphthylbenzene (TNB) were amorphized by milling with a vibrating mill for 2 ˜ 16 hours at room temperature. The amorphization was checked by differential scanning calorimetry (DSC) and X-ray powder diffraction. The heat capacities of crystals, liquid quenched glasses (LQG), and mechanically-milled amorphous solid (MMAS) of TMCD and TNB were measured with an adiabatic calorimeter in the temperature range between 12 and 375 K. For both compounds, the enthalpy relaxation of MMAS appeared in the wide temperature range below Tg and the released configurational enthalpy was much larger than that of LQG, indicating that MMAS is more disordered and strained than LQG.

Potential Energy Landscape of the Liquid-Liquid Phase Transition in Water and the transformation between Low-Density and High-Density Amorphous Ice

Science.gov (United States)

Giovambattista, N.; Sciortino, F.; Starr, F. W.; Poole, P. H.

The potential energy landscape (PEL) formalism is a valuable approach within statistical mechanics for describing supercooled liquids and glasses. We use the PEL formalism and computer simulations to study the transformation between low-density (LDL) and high-density liquid (HDL) water, and between low-density (LDA) and high-density amorphous ice (HDA). We employ the ST2 water model that exhibits a LDL-HDL first-order phase transition and a sharp LDA-HDA transformation, as observed in experiments. Our results are consistent with the view that LDA and HDA configurations are associated with two distinct regions (megabasins) of the PEL that are separated by a potential energy barrier. At higher temperature, we find that LDL configurations are located in the same megabasin as LDA, and that HDL configurations are located in the same megabasin as HDA. We show that the pressure-induced LDL-HDL and LDA-HDA transformations occur along paths that interconnect these two megabasins, but that the path followed by the liquid and the amorphous ice differ. We also study the liquid-to-ice-VII first-order phase transition. The PEL properties across this transition are qualitatively similar to the changes found during the LDA-HDA transformation, supporting the interpretation that the LDA-HDA transformation is a first-order-like phase transition between out-of-equilibrium states.

Structural Relaxation in Fe78Nb2B20 Amorphous Alloy Studied by Moessbauer Spectroscopy

International Nuclear Information System (INIS)

Kansy, J.; Hanc, A.; Rasek, J.; Haneczok, G.; Pajak, L.; Stoklosa, Z.; Kwapulinski, P.

2011-01-01

It was shown that soft magnetic properties of Fe 78 Nb 2 B 20 amorphous alloy can be significantly improved by applying 1-h annealing at temperature 623 K (permeability increases even about 8 times). The Moessbauer Spectroscopy technique indicated that the optimized microstructure (corresponding to the maximum magnetic permeability) is free of iron nanograins and should be attributed to annealing out of free volume and a reduction of internal stresses i.e. to the relaxed amorphous phase. (authors)

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.

High pressure synthesis of amorphous TiO2 nanotubes

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Quanjun Li

2015-09-01

Full Text Available Amorphous TiO2 nanotubes with diameters of 8-10 nm and length of several nanometers were synthesized by high pressure treatment of anatase TiO2 nanotubes. The structural phase transitions of anatase TiO2 nanotubes were investigated by using in-situ high-pressure synchrotron X-ray diffraction (XRD method. The starting anatase structure is stable up to ∼20GPa, and transforms into a high-density amorphous (HDA form at higher pressure. Pressure-modified high- to low-density transition was observed in the amorphous form upon decompression. The pressure-induced amorphization and polyamorphism are in good agreement with the previous results in ultrafine TiO2 nanoparticles and nanoribbons. The relationship between the LDA form and α-PbO2 phase was revealed by high-resolution transmission electron microscopy (HRTEM study. In addition, the bulk modulus (B0 = 158 GPa of the anatase TiO2 nanotubes is smaller than those of the corresponding bulks and nanoparticles (180-240 GPa. We suggest that the unique open-ended nanotube morphology and nanosize play important roles in the high pressure phase transition of TiO2 nanotubes.

Agglomeration of amorphous silicon film with high energy density excimer laser irradiation

International Nuclear Information System (INIS)

He Ming; Ishihara, Ryoichi; Metselaar, Wim; Beenakker, Kees

2007-01-01

In this paper, agglomeration phenomena of amorphous Si (α-Si) films due to high energy density excimer laser irradiation are systematically investigated. The agglomeration, which creates holes or breaks the continuous Si film up into spherical beads, is a type of serious damage. Therefore, it determines an upper energy limit for excimer laser crystallization. It is speculated that the agglomeration is caused by the boiling of molten Si. During this process, outbursts of heterogeneously nucleated vapor bubbles are promoted by the poor wetting property of molten silicon on the SiO 2 layer underneath. The onset of the agglomeration is defined by extrapolating the hole density as a function of the energy density of the laser pulse. A SiO 2 capping layer (CL) is introduced on top of the α-Si film to investigate its influence on the agglomeration. It is found that effects of the CL depend on its thickness. The CL with a thickness less than 300 nm can be used to suppress the agglomeration. A thin CL acts as a confining layer and puts a constraint on bubble burst, and hence suppresses the agglomeration

Identifying low and high density amorphous phases during zeolite amorphisation using small and wide angle X-ray scattering

International Nuclear Information System (INIS)

Meneau, F.; Greaves, G.N.

2005-01-01

In situ experiments following the thermal amorphisation of zeolites reveal massive increases in small angle X-ray scattering (SAXS), persisting well beyond the stage where wide angle X-ray scattering (WAXS) can detect that any crystalline phase is present. This heterogeneity in the amorphised phase is attributed to the transition from a low density amorphous phase (LDA) to a high density amorphous phase (HDA) at the glass transition. The fractions of zeolite, LDA and HDA phases obtained from SAXS analysis are discussed in the context of non-linear changes detected in 29 Si solid state NMR during zeolite amorphisation. Whilst the HDA phase is chemically disordered, the LDA phase exhibits much of the Al-Si ordering present in the starting zeolite. These findings are considered in the context of perfect glasses predicted to occur when super strong liquids are supercooled

Exact theory of dense amorphous hard spheres in high dimension. II. The high density regime and the Gardner transition.

Science.gov (United States)

Kurchan, Jorge; Parisi, Giorgio; Urbani, Pierfrancesco; Zamponi, Francesco

2013-10-24

We consider the theory of the glass phase and jamming of hard spheres in the large space dimension limit. Building upon the exact expression for the free-energy functional obtained previously, we find that the random first order transition (RFOT) scenario is realized here with two thermodynamic transitions: the usual Kauzmann point associated with entropy crisis and a further transition at higher pressures in which a glassy structure of microstates is developed within each amorphous state. This kind of glass-glass transition into a phase dominating the higher densities was described years ago by Elisabeth Gardner, and may well be a generic feature of RFOT. Microstates that are small excitations of an amorphous matrix-separated by low entropic or energetic barriers-thus emerge naturally, and modify the high pressure (or low temperature) limit of the thermodynamic functions.

On the relation between quasi-static and dynamic stress induced reversible structural relaxation of amorphous alloys

International Nuclear Information System (INIS)

Krueger, P.; Stucky, T.; Boewe, M.; Neuhaeuser, H.

1993-01-01

Quasi-static stress relaxation and dynamic internal friction measurements of stress induced reversible structural relaxation were performed on the amorphous alloy Fe 40 Ni 40 B 20 . The kinetics can be well described by a stretched exponential Kohlrausch-Williams-Watts quasi-static relaxation. The thermally activated part of the internal friction shows an Arrhenius temperature behaviour for a fixed vibration frequency and an inverse power frequency behaviour for a fixed temperature. The activation energies calculated from the Arrhenius equation and from the frequency shift method are significantly different. In order to explain this discrepancy the relation between the quasi-static and the dynamic descriptions of the reversible relaxation is reexamined. In particular it is shown that these two activation energies are connected by the Kohlrausch exponent of the quasi-static relaxation. (orig.)

Investigation of the intermediate- and high-density forms of amorphous ice by molecular dynamics calculations and diffraction experiments

International Nuclear Information System (INIS)

Tse, John S.; Klug, Dennis D.; Guthrie, Malcolm; Benmore, Chris J.; Urquidi, Jacob; Tulk, Chris A.

2005-01-01

The lack of an 'isosbestic' point in the oxygen-oxygen atom radial distribution functions (RDFs) for the HDA→LDA ice transformation at ambient pressure derived from molecular dynamics (MD) calculations show unequivocally that intermediate phases are not equilibrium mixtures of these two amorphous forms. This is supported by x-ray structure factor data, where it is found that linear combinations of the starting and end amorphous forms do not describe intermediate forms of amorphous ice formed during the transformation. This reflects the fact that the x-ray data are heavily weighted to O-O correlations and therefore sensitive to the basic structural changes that occur during the relaxation process. The ice Ih→HDA transformation is also reexamined using MD to identify its thermodynamic nature. This apparently first-order transition induced by a mechanical instability is investigated by compression followed by decompression to negative pressures. In this study we demonstrated that the full van der Waals loop for this transition can be identified

High pressure synthesis of amorphous TiO{sub 2} nanotubes

Energy Technology Data Exchange (ETDEWEB)

Li, Quanjun; Liu, Ran; Wang, Tianyi; Xu, Ke; Dong, Qing; Liu, Bo; Liu, Bingbing, E-mail: liubb@jlu.edu.cn [State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012 (China); Liu, Jing [Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China)

2015-09-15

Amorphous TiO{sub 2} nanotubes with diameters of 8-10 nm and length of several nanometers were synthesized by high pressure treatment of anatase TiO{sub 2} nanotubes. The structural phase transitions of anatase TiO{sub 2} nanotubes were investigated by using in-situ high-pressure synchrotron X-ray diffraction (XRD) method. The starting anatase structure is stable up to ∼20GPa, and transforms into a high-density amorphous (HDA) form at higher pressure. Pressure-modified high- to low-density transition was observed in the amorphous form upon decompression. The pressure-induced amorphization and polyamorphism are in good agreement with the previous results in ultrafine TiO{sub 2} nanoparticles and nanoribbons. The relationship between the LDA form and α-PbO{sub 2} phase was revealed by high-resolution transmission electron microscopy (HRTEM) study. In addition, the bulk modulus (B{sub 0} = 158 GPa) of the anatase TiO{sub 2} nanotubes is smaller than those of the corresponding bulks and nanoparticles (180-240 GPa). We suggest that the unique open-ended nanotube morphology and nanosize play important roles in the high pressure phase transition of TiO{sub 2} nanotubes.

The effect of gamma radiation on hardness evolution in high density polyethylene at elevated temperatures

International Nuclear Information System (INIS)

Chen, Pei-Yun; Chen, C.C.; Harmon, Julie P.; Lee, Sanboh

2014-01-01

This research focuses on characterizing hardness evolution in irradiated high density polyethylene (HDPE) at elevated temperatures. Hardness increases with increasing gamma ray dose, annealing temperature and annealing time. The hardness change is attributed to the variation of defects in microstructure and molecular structure. The kinetics of defects that control the hardness are assumed to follow the first order structure relaxation. The experimental data are in good agreement with the predicted model. The rate constant follows the Arrhenius equation, and the corresponding activation energy decreases with increasing dose. The defects that control hardness in post-annealed HDPE increase with increasing dose and annealing temperature. The structure relaxation of HDPE has a lower energy of mixing in crystalline regions than in amorphous regions. Further, the energy of mixing for defects that influence hardness in HDPE is lower than those observed in polycarbonate (PC), poly(methyl methacrylate) (PMMA) and poly (hydroxyethyl methacrylate) (HEMA). This is due to the fact that polyethylene is a semi-crystalline material, while PC, PMMA and PHEMA are amorphous. - Highlights: • Hardness of HDPE increases with increasing gamma ray dose, annealing time and temperature. • The hardness change arises from defects in microstructure and molecular structure. • Defects affecting hardness follow a kinetics of structure relaxation. • The structure relaxation has a low energy of mixing in crystalline regime

The effect of gamma radiation on hardness evolution in high density polyethylene at elevated temperatures

Energy Technology Data Exchange (ETDEWEB)

Chen, Pei-Yun [Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 300, Taiwan (China); Chen, C.C. [Institute of Nuclear Energy Research, Longtan, Taoyuan 325, Taiwan (China); Harmon, Julie P. [Department of Chemistry, University of South Florida, Tampa, FL 33620 (United States); Lee, Sanboh, E-mail: sblee@mx.nthu.edu.tw [Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 300, Taiwan (China)

2014-08-01

This research focuses on characterizing hardness evolution in irradiated high density polyethylene (HDPE) at elevated temperatures. Hardness increases with increasing gamma ray dose, annealing temperature and annealing time. The hardness change is attributed to the variation of defects in microstructure and molecular structure. The kinetics of defects that control the hardness are assumed to follow the first order structure relaxation. The experimental data are in good agreement with the predicted model. The rate constant follows the Arrhenius equation, and the corresponding activation energy decreases with increasing dose. The defects that control hardness in post-annealed HDPE increase with increasing dose and annealing temperature. The structure relaxation of HDPE has a lower energy of mixing in crystalline regions than in amorphous regions. Further, the energy of mixing for defects that influence hardness in HDPE is lower than those observed in polycarbonate (PC), poly(methyl methacrylate) (PMMA) and poly (hydroxyethyl methacrylate) (HEMA). This is due to the fact that polyethylene is a semi-crystalline material, while PC, PMMA and PHEMA are amorphous. - Highlights: • Hardness of HDPE increases with increasing gamma ray dose, annealing time and temperature. • The hardness change arises from defects in microstructure and molecular structure. • Defects affecting hardness follow a kinetics of structure relaxation. • The structure relaxation has a low energy of mixing in crystalline regime.

High density amorphous ice and its phase transition to ice XII

International Nuclear Information System (INIS)

Kohl, I.

2001-07-01

1998 Lobban et al. reported the neutron diffraction data of a new phase of ice, called ice XII, which formed at 260 K on compression of water within the domain of ice V at a pressure of 0.5 GPa. Surprisingly ice XII forms as an incidental product in the preparation of high-density amorphous ice (HDA) on compression of hexagonale ice (ice Ih) at 77 K up to pressures = 1.3 GPa. A decisive experimental detail is the use of an indium container: when compressing ice Ih in a pressure vessel with indium linings, then reproducibly HDA (high density amorphous ice) forms, but without indium randomly scattered relative amounts of ice XII and HDA form. Ice XII forms on compression of ice Ih at 77 K only via HDA, and not directly from ice Ih. Its formation requires a sudden pronounced apparent pressure drop of ca 0.18 GPa at pressures ca 1.1 GPa. These apparent pressure drops can be caused by buildup friction between the piston and the pressure vessel and its sudden release on further compression. I propose that shock-waves generated by apparent pressure drops cause transient local heating and that this induces nucleation and crystal growth. A specific reproducible method to prepare ice XII is heating HDA in a pressure vessel with indium linings at constant pressures (or constant volume). The ice XII (meta-)stability domain extends between ca 158 and 212 K from ca 0.7 to ca 1.5 GPa. DSC (differential scanning calorimetry) and x-ray powder diffraction revealed, that on heating at atmospheric pressure ice XII transforms directly into cubic ice (ice Ic) at 154 K (heating rate 10 K min - 1) and not into an amorphous form before transition to ice Ic. The enthalpy of the ice XII - ice Ic transition is -1.21 ± 0.07 kJ mol -1 . An estimation of the Gibbs free energy at atmospheric pressure and about 140 K results that ice XII is thermodynamically more stable than ice VI. In the heating curve of ice XII a reversible endothermic step can be found at the onset temperature (heating rate

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.

An evaluation of the use of modulated temperature DSC as a means of assessing the relaxation behaviour of amorphous lactose.

Science.gov (United States)

Craig, D Q; Barsnes, M; Royall, P G; Kett, V L

2000-06-01

To evaluate the use of Modulated Temperature DSC (MTDSC) as a means of assessing the relaxation behaviour of amorphous lactose via measurement of the heat capacity, glass transition (Tg) and relaxation endotherm. Samples of amorphous lactose were prepared by freeze drying. MTDSC was conducted using a TA Instruments 2920 MDSC using a heating rate of 2 degrees C/minute, a modulation amplitude of +/-0.3 degrees C and a period of 60 seconds. Samples were cycled by heating to 140 degrees C and cooling to a range of annealing temperatures between 80 degrees C and 100 degrees C, followed by reheating through the Tg region. Systems were then recooled to allow for correction of the Tg shift effect. MTDSC enabled separation of the glass transition from the relaxation endotherm, thereby facilitating calculation of the relaxation time as a function of temperature. The relative merits of using MTDSC for the assessment of relaxation processes are discussed. In addition, the use of the fictive temperature rather than the experimentally derived Tg is outlined. MTDSC allows assessment of the glass transition temperature, the magnitude of the relaxation endotherm and the value of the heat capacity, thus facilitating calculation of relaxation times. Limitations identified with the approach include the slow scanning speed, the need for careful choice of experimental parameters and the Tg shift effect.

Atypical water lattices and their possible relevance to the amorphous ices: A density functional study

Science.gov (United States)

Anick, David J.

2013-04-01

Of the fifteen known crystalline forms of ice, eleven consist of a single topologically connected hydrogen bond network with four H-bonds at every O. The other four, Ices VI-VIII and XV, consist of two topologically connected networks, each with four H-bonds at every O. The networks interpenetrate but do not share H-bonds. This article presents two new periodic water lattice families whose topological connectivity is "atypical": they consist of many two-dimensional layers that share no H-bonds. Layers are held together only by dispersion forces. Within each layer there are still four H-bonds at each O. Called "Hexagonal Bilayer Water" (HBW) and "Pleated Sheet Water" (PSW), they have computed densities of about 1.1 g/mL and 1.3 g/mL respectively, and nearest neighbor O-coordination is 4.5 to 5.5 and 6 to 8 respectively. Using density functional theory (BLYP-D/TZVP), various proton ordered forms of HBW and PSW are optimized and categorized. There are simple pathways connecting Ice-Ih to HBW and HBW to PSW. Their computed properties suggest similarities to the high density and very high density amorphous ices (HDA and VHDA) respectively. It is unknown whether HDA, VHDA, and Low Density Amorphous Ice (LDA) are fully disordered glasses down to the molecular level, or whether there is some short-range local order. Based on estimated radial distribution functions (RDFs), one proton ordered form of HBW matches HDA best. The idea is explored that HDA could contain islands with this underlying structure, and likewise, that VHDA could contain regions of PSW. A "microlattice model version 1" (MLM1) is presented as a device to compare key experimental data on the amorphous ices with these atypical structures and with a microlattice form of Ice-XI for LDA. Resemblances are found with the amorphs' RDFs, densities, Raman spectra, and transition behaviors. There is not enough information in the static models to assign either a microlattice structure or a partial microlattice

Transportation properties of amorphous state InSb and its metastable middle phase

International Nuclear Information System (INIS)

Cao Xiaowen

1990-09-01

The variation of the substrate temperature induces the metal-semiconductor transition in the condensation InSb films at low temperatrue. The electron conduction is dominant in the metal-type amorphous InSb and the hole in semiconductor-type one. In the metal-type amorphous InSb the electron-electron is correlated under the field above 0.1T in the temperature region of liquid nitrogen. The structure relaxation leads to not only the increase of the short range order but also the change of electron structure in metal-type amorphous InSb. The first conductance jump originates mainly from the increase of Hall mobility of the carrier, i.e. the increase of the short range order, and the system relaxes from the liquid-like to the lattice-like amorphous state. The three types of the crystallization phase transition for the metal-type amorphous InSb present obviously different transportation behaviours. Both metal-type amorphous state and metastable middle phase of InSb all are one of superconducting system with the lowest carrier concentration (n 0 ∼10 18 cm -3 ). Superconducting T c of the metastable middle phase is related to the state density near Fermi surface, i.e. the higher T c corresponds to the higher state density. The quasi-two-dimensional structure is favourable to superconductivity

In Situ Poling and Imidization of Amorphous Piezoelectric Polyimides

Science.gov (United States)

Park, Cheol; Ounaies, Zoubeida; Wise, Kristopher E.; Harrison, Joycelyn S.; Bushnell, Dennis M. (Technical Monitor)

2002-01-01

An amorphous piezoelectric polyimide containing polar functional groups has been developed using a combination of experimental and molecular modeling for potential use in high temperature applications. This amorphous polyimide, (Beta-CN)APB/ODPA, has exhibited good thermal stability and piezoelectric response at temperatures up to 150C. Density functional calculations predicted that a partially cured amic acid (open imide ring) possesses a dipole moment four times larger than the fully imidized closed ring. In situ poling and imidization of the partially cured (Beta-CN)APB/ODPA, was studied in an attempt to maximize the degree of dipolar orientation and the resultant piezoelectric response. A positive corona poling was used to minimize localized arcing during poling and to allow use of higher poling fields without dielectric breakdown. The dielectric relaxation strength, remanent polarization, and piezoelectric response were evaluated as a function of the poling profile. The partially cured, corona poled polymers exhibited higher dielectric relaxation strength (delta varepsilon), remanent polarization (Pr) and piezoelectric strain coefficient (d33) than the fully cured, conventionally poled ones.

Density of states in Mo-Ru amorphous alloys

International Nuclear Information System (INIS)

Miyakawa, W.

1985-01-01

The density of states is calculated for several compositions of amorphous Mo 1-x Ru x . In order to simulate amorphous clusters, the structures (atomic positions) utilized in the calculations were built from a small dense randomly packed unit of hard spheres with periodic boundary conditions. The density of states is calculated from a tight-binding Hamiltonian with hopping integrals parametrized in terms of the ddσ, ddΠ and ddδ molecular integrals. The results for pure Mo and pure Ru, compared in the canonical band aproximation, agree well with the literature. For binary alloys, the comparison of the calculated density of states with the rigid band aproximation results indicates that a more complex approach than the rigid band model must be used, even when the two atoms have similar bands, with band centers at nearly the same energy. The results also indicate that there is no relation between the peak in the superconducting critical temperature as a function of the number of valence eletrons per atom (e/a) in the region near Mo(e/a=6) and the peak of the density of states at the Fermi level in the same region, as has been sugested by some authors. (Author) [pt

Relationship between defect density and charge carrier transport in amorphous and microcrystalline silicon

International Nuclear Information System (INIS)

Astakhov, Oleksandr; Carius, Reinhard; Finger, Friedhelm; Petrusenko, Yuri; Borysenko, Valery; Barankov, Dmytro

2009-01-01

The influence of dangling-bond defects and the position of the Fermi level on the charge carrier transport properties in undoped and phosphorous doped thin-film silicon with structure compositions all the way from highly crystalline to amorphous is investigated. The dangling-bond density is varied reproducibly over several orders of magnitude by electron bombardment and subsequent annealing. The defects are investigated by electron-spin-resonance and photoconductivity spectroscopies. Comparing intrinsic amorphous and microcrystalline silicon, it is found that the relationship between defect density and photoconductivity is different in both undoped materials, while a similar strong influence of the position of the Fermi level on photoconductivity via the charge carrier lifetime is found in the doped materials. The latter allows a quantitative determination of the value of the transport gap energy in microcrystalline silicon. The photoconductivity in intrinsic microcrystalline silicon is, on one hand, considerably less affected by the bombardment but, on the other hand, does not generally recover with annealing of the defects and is independent from the spin density which itself can be annealed back to the as-deposited level. For amorphous silicon and material prepared close to the crystalline growth regime, the results for nonequilibrium transport fit perfectly to a recombination model based on direct capture into neutral dangling bonds over a wide range of defect densities. For the heterogeneous microcrystalline silicon, this model fails completely. The application of photoconductivity spectroscopy in the constant photocurrent mode (CPM) is explored for the entire structure composition range over a wide variation in defect densities. For amorphous silicon previously reported linear correlation between the spin density and the subgap absorption is confirmed for defect densities below 10 18 cm -3 . Beyond this defect level, a sublinear relation is found i.e., not

Electron temperature and density relaxations during internal disruptions in TFR Tokamak plasmas

International Nuclear Information System (INIS)

Enriques, L.; Sand, F.

1977-01-01

Several diagnostics (soft X-ray, Thompson scattering, high frequency waves, and vacuum ultraviolet spectroscopy) have been used on TFR Tokamak plasmas in order to show that the soft X-ray relaxations are mainly due to electron temperature relaxations, with only small variations of the electron density. Values of ΔTsub(eo)/Tsub(eo) up to 17% and of Δnsub(eo)/nsub(eo) of a few % or less have been measured. (author)

Electron temperature and density relaxations during internal disruptions in TFR Tokamak plasmas

International Nuclear Information System (INIS)

1976-07-01

Several diagnostics (soft X-ray, Thomson scattering, high frequency waves, and vacuum ultraviolet spectroscopy) have been used on TFR Tokamak plasmas in order to show that the soft X-ray relaxations are mainly due to electron temperature relaxations, with only small variations of the electron density. Values of ΔTsub(e0)/Tsub(e0) up to 17% and of Δnsub(e0)/nsub(e0) of a few % or less have been measured

Atypical water lattices and their possible relevance to the amorphous ices: A density functional study

Energy Technology Data Exchange (ETDEWEB)

Anick, David J. [Laboratory for Water and Surface Studies, Department of Chemistry, Pearson Lab, Tufts University, Medford, MA 02155 (United States)

2013-04-15

Of the fifteen known crystalline forms of ice, eleven consist of a single topologically connected hydrogen bond network with four H-bonds at every O. The other four, Ices VI–VIII and XV, consist of two topologically connected networks, each with four H-bonds at every O. The networks interpenetrate but do not share H-bonds. This article presents two new periodic water lattice families whose topological connectivity is “atypical”: they consist of many two-dimensional layers that share no H-bonds. Layers are held together only by dispersion forces. Within each layer there are still four H-bonds at each O. Called “Hexagonal Bilayer Water” (HBW) and “Pleated Sheet Water” (PSW), they have computed densities of about 1.1 g/mL and 1.3 g/mL respectively, and nearest neighbor O-coordination is 4.5 to 5.5 and 6 to 8 respectively. Using density functional theory (BLYP-D/TZVP), various proton ordered forms of HBW and PSW are optimized and categorized. There are simple pathways connecting Ice-Ih to HBW and HBW to PSW. Their computed properties suggest similarities to the high density and very high density amorphous ices (HDA and VHDA) respectively. It is unknown whether HDA, VHDA, and Low Density Amorphous Ice (LDA) are fully disordered glasses down to the molecular level, or whether there is some short-range local order. Based on estimated radial distribution functions (RDFs), one proton ordered form of HBW matches HDA best. The idea is explored that HDA could contain islands with this underlying structure, and likewise, that VHDA could contain regions of PSW. A “microlattice model version 1” (MLM1) is presented as a device to compare key experimental data on the amorphous ices with these atypical structures and with a microlattice form of Ice-XI for LDA. Resemblances are found with the amorphs’ RDFs, densities, Raman spectra, and transition behaviors. There is not enough information in the static models to assign either a microlattice structure or a partial

Atypical water lattices and their possible relevance to the amorphous ices: A density functional study

International Nuclear Information System (INIS)

Anick, David J.

2013-01-01

Of the fifteen known crystalline forms of ice, eleven consist of a single topologically connected hydrogen bond network with four H-bonds at every O. The other four, Ices VI–VIII and XV, consist of two topologically connected networks, each with four H-bonds at every O. The networks interpenetrate but do not share H-bonds. This article presents two new periodic water lattice families whose topological connectivity is “atypical”: they consist of many two-dimensional layers that share no H-bonds. Layers are held together only by dispersion forces. Within each layer there are still four H-bonds at each O. Called “Hexagonal Bilayer Water” (HBW) and “Pleated Sheet Water” (PSW), they have computed densities of about 1.1 g/mL and 1.3 g/mL respectively, and nearest neighbor O-coordination is 4.5 to 5.5 and 6 to 8 respectively. Using density functional theory (BLYP-D/TZVP), various proton ordered forms of HBW and PSW are optimized and categorized. There are simple pathways connecting Ice-Ih to HBW and HBW to PSW. Their computed properties suggest similarities to the high density and very high density amorphous ices (HDA and VHDA) respectively. It is unknown whether HDA, VHDA, and Low Density Amorphous Ice (LDA) are fully disordered glasses down to the molecular level, or whether there is some short-range local order. Based on estimated radial distribution functions (RDFs), one proton ordered form of HBW matches HDA best. The idea is explored that HDA could contain islands with this underlying structure, and likewise, that VHDA could contain regions of PSW. A “microlattice model version 1” (MLM1) is presented as a device to compare key experimental data on the amorphous ices with these atypical structures and with a microlattice form of Ice-XI for LDA. Resemblances are found with the amorphs’ RDFs, densities, Raman spectra, and transition behaviors. There is not enough information in the static models to assign either a microlattice structure or a partial

Density-conserving affine continuous cellular automata solving the relaxed density classification problem

International Nuclear Information System (INIS)

Wolnik, Barbara; Dembowski, Marcin; Bołt, Witold; Baetens, Jan M; De Baets, Bernard

2017-01-01

The focus of this paper is on the density classification problem in the context of affine continuous cellular automata. Although such cellular automata cannot solve this problem in the classical sense, most density-conserving affine continuous cellular automata with a unit neighborhood radius are valid solutions of a slightly relaxed version of this problem. This result follows from a detailed study of the dynamics of the density-conserving affine continuous cellular automata that we introduce. (paper)

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

Atypical water lattices and their possible relevance to the amorphous ices: A density functional study

Directory of Open Access Journals (Sweden)

David J. Anick

2013-04-01

Full Text Available Of the fifteen known crystalline forms of ice, eleven consist of a single topologically connected hydrogen bond network with four H-bonds at every O. The other four, Ices VI–VIII and XV, consist of two topologically connected networks, each with four H-bonds at every O. The networks interpenetrate but do not share H-bonds. This article presents two new periodic water lattice families whose topological connectivity is “atypical”: they consist of many two-dimensional layers that share no H-bonds. Layers are held together only by dispersion forces. Within each layer there are still four H-bonds at each O. Called “Hexagonal Bilayer Water” (HBW and “Pleated Sheet Water” (PSW, they have computed densities of about 1.1 g/mL and 1.3 g/mL respectively, and nearest neighbor O-coordination is 4.5 to 5.5 and 6 to 8 respectively. Using density functional theory (BLYP-D/TZVP, various proton ordered forms of HBW and PSW are optimized and categorized. There are simple pathways connecting Ice-Ih to HBW and HBW to PSW. Their computed properties suggest similarities to the high density and very high density amorphous ices (HDA and VHDA respectively. It is unknown whether HDA, VHDA, and Low Density Amorphous Ice (LDA are fully disordered glasses down to the molecular level, or whether there is some short-range local order. Based on estimated radial distribution functions (RDFs, one proton ordered form of HBW matches HDA best. The idea is explored that HDA could contain islands with this underlying structure, and likewise, that VHDA could contain regions of PSW. A “microlattice model version 1” (MLM1 is presented as a device to compare key experimental data on the amorphous ices with these atypical structures and with a microlattice form of Ice-XI for LDA. Resemblances are found with the amorphs’ RDFs, densities, Raman spectra, and transition behaviors. There is not enough information in the static models to assign either a microlattice structure

Structural relaxation: low temperature properties

International Nuclear Information System (INIS)

Cruz, F. de la

1984-01-01

We discuss the changes in transport and superconducting properties of amorphous Zr 70 Cu 30 , induced by thermal relaxation. The experimental results are used to investigate the relation between the microscopic parameters and the observed physical properties. It is shown that the density of eletronic states determines the shift Tc as well as the variation of the electrical resistivity. It is necessary to assume strong hybridization between s and d bands to understand the eletrodynamic response of the superconductor. (Author) [pt

Stress-relaxation behavior of lignocellulosic high-density polyethlene composites

Science.gov (United States)

Babak Mirzaei; Mehdi Tajvidi; Robert H. Falk; Colin Felton

2011-01-01

In this study, stress-relaxation performance of HDPE-based injection-molded composites containing four types of natural fibers (i.e., wood flour, rice hulls, newsprint, and kenaf fiber) at 25 and 50 wt% contents, and the effect of prescribed strain levels were investigated. The results indicated that incorporating more filler causes lower relaxation values and rates,...

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

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

Engineering and Scaling the Spontaneous Magnetization Reversal of Faraday Induced Magnetic Relaxation in Nano-Sized Amorphous Ni Coated on Crystalline Au.

Science.gov (United States)

Li, Wen-Hsien; Lee, Chi-Hung; Kuo, Chen-Chen

2016-05-28

We report on the generation of large inverse remanent magnetizations in nano-sized core/shell structure of Au/Ni by turning off the applied magnetic field. The remanent magnetization is very sensitive to the field reduction rate as well as to the thermal and field processes before the switching off of the magnetic field. Spontaneous reversal in direction and increase in magnitude of the remanent magnetization in subsequent relaxations over time were found. All of the various types of temporal relaxation curves of the remanent magnetizations are successfully scaled by a stretched exponential decay profile, characterized by two pairs of relaxation times and dynamic exponents. The relaxation time is used to describe the reduction rate, while the dynamic exponent describes the dynamical slowing down of the relaxation through time evolution. The key to these effects is to have the induced eddy current running beneath the amorphous Ni shells through Faraday induction.

Relaxation phenomena in the high temperature S-1 spheromak

International Nuclear Information System (INIS)

Ono, Y.; Ellis, R.A. Jr.; Janos, A.C.; Levinton, F.M.; Mayo, R.M.; Motley, R.W.; Ueda, Y.; Yamada, M.

1988-06-01

Operation of the S-1 device in a high current density (j/n/sub e/ ≥ 2 /times/ 10 -14 A/center dot/m) regime has created high electron temperature spheromaks (50eV ≤ T/sub e/ ≤ 130eV). The mechanisms and causes of the periodic relaxation events often observed in these hotter spheromak plasmas were made clear. Also, a relationship between the MHD relaxation cycle and confinement characteristics was revealed for the first time. Resistive loss at the outer edge of the plasma causes a departure from the initial force-free minimum-energy Taylor state to a MHD profile unstable to low-n ideal MHD modes; a relaxation event then returns the configuration to nearly a Taylor state. 11 refs., 5 figs

Impurity-defect complexes in hydrogenated amorphous silicon

International Nuclear Information System (INIS)

Yang, L.H.; Fong, C.Y.; Nichols, C.S.

1991-01-01

The two most outstanding features observed for dopants in hydrogenated amorphous silicon (a-Si:H)-a shift in the Fermi level accompanied by an increase in the defect density and an absence of degenerate doping have previously been postulated to stem from the formation of substitutional dopant-dangling bond complexes. Using first-principles self-consistent pseudopotential calculations in conjunction with a supercell model for the amorphous network and the ability of network relaxation from the first-principles results. The authors have studied the electronic and structural properties of substitutional fourfold-coordinated phosphorus and boron at the second neighbor position to a dangling bond defect. This paper demonstrates that such impurity-defect complexes can account for the general features observed experimentally in doped a-Si:H

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.

Engineering and Scaling the Spontaneous Magnetization Reversal of Faraday Induced Magnetic Relaxation in Nano-Sized Amorphous Ni Coated on Crystalline Au

Science.gov (United States)

Li, Wen-Hsien; Lee, Chi-Hung; Kuo, Chen-Chen

2016-01-01

We report on the generation of large inverse remanent magnetizations in nano-sized core/shell structure of Au/Ni by turning off the applied magnetic field. The remanent magnetization is very sensitive to the field reduction rate as well as to the thermal and field processes before the switching off of the magnetic field. Spontaneous reversal in direction and increase in magnitude of the remanent magnetization in subsequent relaxations over time were found. All of the various types of temporal relaxation curves of the remanent magnetizations are successfully scaled by a stretched exponential decay profile, characterized by two pairs of relaxation times and dynamic exponents. The relaxation time is used to describe the reduction rate, while the dynamic exponent describes the dynamical slowing down of the relaxation through time evolution. The key to these effects is to have the induced eddy current running beneath the amorphous Ni shells through Faraday induction. PMID:28773549

Density dependence of relaxation dynamics in glass formers, and ...

Indian Academy of Sciences (India)

Anshul D S Parmar

formers, we study the variation of relaxation dynamics with density, rather than temperature, as a control ... stronger behaviour, the use of scaled variables involving temperature and ... of the temperature dependence of B as written defines.

Relaxation dynamics and transformation kinetics of deeply supercooled water: Temperature, pressure, doping, and proton/deuteron isotope effects.

Science.gov (United States)

Lemke, Sonja; Handle, Philip H; Plaga, Lucie J; Stern, Josef N; Seidl, Markus; Fuentes-Landete, Violeta; Amann-Winkel, Katrin; Köster, Karsten W; Gainaru, Catalin; Loerting, Thomas; Böhmer, Roland

2017-07-21

Above its glass transition, the equilibrated high-density amorphous ice (HDA) transforms to the low-density pendant (LDA). The temperature dependence of the transformation is monitored at ambient pressure using dielectric spectroscopy and at elevated pressures using dilatometry. It is found that near the glass transition temperature of deuterated samples, the transformation kinetics is 300 times slower than the structural relaxation, while for protonated samples, the time scale separation is at least 30 000 and insensitive to doping. The kinetics of the HDA to LDA transformation lacks a proton/deuteron isotope effect, revealing that this process is dominated by the restructuring of the oxygen network. The x-ray diffraction experiments performed on samples at intermediate transition stages reflect a linear combination of the LDA and HDA patterns implying a macroscopic phase separation, instead of a local intermixing of the two amorphous states.

Relaxation dynamics and transformation kinetics of deeply supercooled water: Temperature, pressure, doping, and proton/deuteron isotope effects

Science.gov (United States)

Lemke, Sonja; Handle, Philip H.; Plaga, Lucie J.; Stern, Josef N.; Seidl, Markus; Fuentes-Landete, Violeta; Amann-Winkel, Katrin; Köster, Karsten W.; Gainaru, Catalin; Loerting, Thomas; Böhmer, Roland

2017-07-01

Above its glass transition, the equilibrated high-density amorphous ice (HDA) transforms to the low-density pendant (LDA). The temperature dependence of the transformation is monitored at ambient pressure using dielectric spectroscopy and at elevated pressures using dilatometry. It is found that near the glass transition temperature of deuterated samples, the transformation kinetics is 300 times slower than the structural relaxation, while for protonated samples, the time scale separation is at least 30 000 and insensitive to doping. The kinetics of the HDA to LDA transformation lacks a proton/deuteron isotope effect, revealing that this process is dominated by the restructuring of the oxygen network. The x-ray diffraction experiments performed on samples at intermediate transition stages reflect a linear combination of the LDA and HDA patterns implying a macroscopic phase separation, instead of a local intermixing of the two amorphous states.

Modeling relaxation length and density of acacia mangium wood using gamma - ray attenuation technique

International Nuclear Information System (INIS)

Tamer A Tabet; Fauziah Abdul Aziz

2009-01-01

Wood density measurement is related to the several factors that influence wood quality. In this paper, density, relaxation length and half-thickness value of eight ages, 3, 5, 7, 10, 11, 13 and 15 year-old of Acacia mangium wood were determined using gamma radiation from 137 Cs source. Results show that Acacia mangium tree of age 3 year has the highest relaxation length of 83.33 cm and least density of 0.43 gcm -3 , while the tree of age 15 year has the least Relaxation length of 28.56 cm and highest density of 0.76 gcm -3 . Results also show that the 3 year-old Acacia mangium wood has the highest half thickness value of 57.75 cm and 15 year-old tree has the least half thickness value of 19.85 cm. Two mathematical models have been developed for the prediction of density, variation with relaxation length and half-thickness value of different age of tree. A good agreement (greater than 85% in most cases) was observed between the measured values and predicted ones. Very good linear correlation was found between measured density and the age of tree (R2 = 0.824), and between estimated density and Acacia mangium tree age (R2 = 0.952). (Author)

THE EFFECT OF DIAMETER ON THE MECHANICAL-PROPERTIES OF AMORPHOUS-CARBON FIBERS FROM LINEAR LOW-DENSITY POLYETHYLENE

NARCIS (Netherlands)

PENNING, JP; LAGCHER, R; PENNINGS, AJ

The mechanical properties of amorphous carbon fibers, derived from linear low density polyethylene strongly depend on the fibre diameter, which may be attributed to the presence of a skin/core structure in these fibres. High strength carbon fibres could thus be prepared by using thin precursor

Density changes in amorphous Pd80Si20 during low temperature ion irradiation

International Nuclear Information System (INIS)

Schumacher, G.; Birtcher, R.C.; Rehn, L.E.

1994-11-01

Density changes in amorphous Pd 80 Si 20 during ion irradiation below 100K were detected by in situ HVEM measurements of the changes in specimen length as a function of ion fluence. A decrease in mass density as a function of the ion fluence was observed. The saturation value of the change in mass density was determined to be approximately -1.2%

Thermomechanical Modeling of Laser-Induced Structural Relaxation and Deformation of Glass: Volume Changes in Fused Silica at High Temperatures [Thermo-mechanical modeling of laser-induced structural relaxation and deformation of SiO₂ glass

Energy Technology Data Exchange (ETDEWEB)

Vignes, Ryan M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). National Ignition Facility and Photon Sciences; Soules, Thomas F. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). National Ignition Facility and Photon Sciences; Stolken, James S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). National Ignition Facility and Photon Sciences; Settgast, Randolph R. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). National Ignition Facility and Photon Sciences; Elhadj, Selim [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). National Ignition Facility and Photon Sciences; Matthews, Manyalibo J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). National Ignition Facility and Photon Sciences; Mauro, J.

2012-12-17

In a fully coupled thermomechanical model of the nanoscale deformation in amorphous SiO₂ due to laser heating is presented. Direct measurement of the transient, nonuniform temperature profiles was used to first validate a nonlinear thermal transport model. Densification due to structural relaxation above the glass transition point was modeled using the Tool-Narayanaswamy (TN) formulation for the evolution of structural relaxation times and fictive temperature. TN relaxation parameters were derived from spatially resolved confocal Raman scattering measurements of Si–O–Si stretching mode frequencies. These thermal and microstructural data were used to simulate fictive temperatures which are shown to scale nearly linearly with density, consistent with previous measurements from Shelby et al. Volumetric relaxation coupled with thermal expansion occurring in the liquid-like and solid-like glassy states lead to residual stresses and permanent deformation which could be quantified. But, experimental surface deformation profiles between 1700 and 2000 K could only be reconciled with our simulation by assuming a roughly 2 × larger liquid thermal expansion for a-SiO₂ with a temperature of maximum density ~150 K higher than previously estimated by Bruckner et al. Calculated stress fields agreed well with recent laser-induced critical fracture measurements, demonstrating accurate material response prediction under processing conditions of practical interest.

Experimental study of the polyamorphism of water. II. The isobaric transitions between HDA and VHDA at intermediate and high pressures

Science.gov (United States)

Handle, Philip H.; Loerting, Thomas

2018-03-01

Since the first report of very-high density amorphous ice (VHDA) in 2001 [T. Loerting et al., Phys. Chem. Chem. Phys. 3, 5355-5357 (2001)], the status of VHDA as a distinct amorphous ice has been debated. We here study VHDA and its relation to expanded high density amorphous ice (eHDA) on the basis of isobaric heating experiments. VHDA was heated at 0.1 ≤ p ≤ 0.7 GPa, and eHDA was heated at 1.1 ≤ p ≤ 1.6 GPa to achieve interconversion. The behavior upon heating is monitored using in situ volumetry as well as ex situ X-ray diffraction and differential scanning calorimetry. We do not observe a sharp transition for any of the isobaric experiments. Instead, a continuous expansion (VHDA) or densification (eHDA) marks the interconversion. This suggests that a continuum of states exists between VHDA and HDA, at least in the temperature range studied here. This further suggests that VHDA is the most relaxed amorphous ice at high pressures and eHDA is the most relaxed amorphous ice at intermediate pressures. It remains unclear whether or not HDA and VHDA experience a sharp transition upon isothermal compression/decompression at low temperature.

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.

Structural relaxation and thermal conductivity of high-pressure formed, high-density di-n-butyl phthalate glass and pressure induced departures from equilibrium state.

Science.gov (United States)

Johari, G P; Andersson, Ove

2017-06-21

We report a study of structural relaxation of high-density glasses of di-n-butyl phthalate (DBP) by measuring thermal conductivity, κ, under conditions of pressure and temperature (p,T) designed to modify both the vibrational and configurational states of a glass. Various high-density glassy states of DBP were formed by (i) cooling the liquid under a fixed high p and partially depressurizing the glass, (ii) isothermal annealing of the depressurized glass, and (iii) pressurizing the glass formed by cooling the liquid under low p. At a given low p, κ of the glass formed by cooling under high p is higher than that of the glass formed by cooling under low p, and the difference increases as glass formation p is increased. κ of the glass formed under 1 GPa is ∼20% higher at ambient p than κ of the glass formed at ambient p. On heating at low p, κ decreases until the glass to liquid transition range is reached. This is the opposite of the increase in κ observed when a glass formed under a certain p is heated under the same p. At a given high p, κ of the low-density glass formed by cooling at low p is lower than that of the high-density glass formed by cooling at that high p. On heating at high p, κ increases until the glass to liquid transition range is reached. The effects observed are due to a thermally assisted approach toward equilibrium at p different from the glass formation p. In all cases, the density, enthalpy, and entropy would change until the glasses become metastable liquids at a fixed p, thus qualitatively relating κ to variation in these properties.

On the nature of amorphous polymorphism of water

OpenAIRE

Koza, Michael Marek; Geil, Burkhard; Winkel, Katrin; Koehler, Christian; Czeschka, Franz; Scheuermann, Marco; Schober, Helmut; Hansen, Thomas

2005-01-01

We report elastic and inelastic neutron scattering experiments on different amorphous ice modifications. It is shown that an amorphous structure (HDA') indiscernible from the high-density phase (HDA), obtained by compression of crystalline ice, can be formed from the very high-density phase (vHDA) as an intermediate stage of the transition of vHDA into its low-density modification (LDA'). Both, HDA and HDA' exhibit comparable small angle scattering signals characterizing them as structures he...

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

Correlation between structural relaxation enthalpy and superconducting properties of amorphous Zr70Cu30 and Zr70Ni30 alloys

International Nuclear Information System (INIS)

Inoue, A.; Matsuzaki, K.; Toyota, N.; Chen, H.S.; Masumoto, T.; Fukase, T.

1985-01-01

The anneal-induced change in the superconducting properties together with the irrecoverable relaxation enthalpy (ΔHsub(i,exo)) and recoverable relaxation enthalpy (ΔHsub(r,endo)) of amorphous Zr 70 Cu 30 and Zr 70 Ni 30 alloys was examined. The increase in ΔHsub(i,exo) and the degradation of Tsub(c) progress logarithmically with annealing time tsub(a) in a temperature range of 373 to 523 K. The activation energy and the attempted frequency were respectively estimated to be 1.5 eV and 6.6 x 10 13 sec -1 for the increase in ΔHsub(i,exo) and 1.5 eV and 1.9 x 10 14 sec -1 for the degradation of Tsub(c). The recoverable structure relaxation exerts little effect on Tsub(c). Based on the agreement between the kinetic parameters for the changes of ΔHsub(i,exo) and Tsub(c), it appears that the degradation of Tsub(c) on annealing is associated with the irrecoverable structural relaxation as a result of the annihilation of frozen-in defects and the topological and compositional atomic rearrangement. The values of the attempted frequency being of the order of Debye frequency suggest that the irrecoverable structural relaxation processes occur more or less independently from each other. (author)

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

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.

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.

Atomic level structural modulation during the structural relaxation and its effect on magnetic properties of Fe81Si4B10P4Cu1 nanocrystalline alloy

Science.gov (United States)

Cao, C. C.; Zhu, L.; Meng, Y.; Zhai, X. B.; Wang, Y. G.

2018-06-01

The evolution of local structure and defects in the Fe81Si4B10P4Cu1 amorphous alloy during the structural relaxation has been investigated by Mössbauer spectroscopy, positron annihilation lifetime spectroscopy and transmission electron microscopy to explore their effects on magnetic properties of the nanocrystalline. The atomic rearrangements at the early stage of the structural relaxation cause the density increase of the amorphous matrix, but the subsequent atomic rearrangements contribute to the transformation of Fe3B-like atomic arrangements to FeB-like ones with the temperature increasing. As the structural relaxation processes, the released Fe atoms both from Fe3B- and Fe3P-like atomic arrangements result in the formation of new Fe clusters and the increase of Fe-Fe coordination number in the existing Fe clusters and the nucleation sites for α-Fe gradually increase, both of which promote the crystallization. However, the homogeneity of amorphous matrix will be finally destroyed under excessive relaxation temperature, which coarsens nanograins during the crystallization instead. Therefore, soft magnetic properties of the Fe81Si4B10P4Cu1 nanocrystalline alloy can be improved by pre-annealing the amorphous precursor at an appropriate temperature due to the atomic level structural optimization.

Plasma density measurements from the GEOS-1 relaxation sounder

International Nuclear Information System (INIS)

Etcheto, J.; Bloch, J.J.

1978-01-01

The relaxation sounder uses the characteristics of the propagation of radiowaves to sound the plasma surrounding the spacecraft. It determines, in particular, the plasma frequency, which gives the electron density. Measurements over the whole dayside of the magnetosphere, from the evening to the night sectors, are now available. The behaviour of the plasma resonance depends on local time, the nighttime echoes being generally weaker. Density measurements thus obtained are shown and discussed in the context of what is presently known about the plasma distribution in the magnetosphere. In particular, the density around apogee is studied as a function of magnetic activity. On the dayside, it appears to vary between a few and a few tens of electrons per cubic centimeter. The evolution of the density profile for several consecutive days is studied and interpreted tracing back the drift of the particles. (Auth.)

Development of an amorphous surge blocker for a high voltage acceleration power supply of the neutral beam injectors

International Nuclear Information System (INIS)

Mizuno, Makoto; Ohara, Yoshihiro; Watanabe, Kazuhiro; Ozaki, Akira.

1993-10-01

An amorphous surge blocker for a high voltage acceleration power supply for the neutral beam injectors has been developed. Since the saturation magnetic flux density of the amorphous core is higher than that of the ferrite core, the surge blocker made of amorphous cores can be reduced in size appreciably compared to the conventional ferrite surge blocker. A 350 kV, 0.05 volt-second amorphous surge blocker was designed, fabricated and tested. The amorphous core was made by winding an amorphous tape with a film for the layer insulation and was heat-treated to recover the magnetic characteristics. The core is molded by epoxy resin and installed in a FRP insulator tube filled with SF 6 gas for the insulation. The volt-second measured was higher than the designed value and the electrical breakdown along the cores and between layers was not observed. This test result shows that the amorphous surge blocker is applicable for a dc acceleration power supply for high energy neutral beam injectors. (author)

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.

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.

Nitrogen-doped amorphous carbon-silicon core-shell structures for high-power supercapacitor electrodes.

Science.gov (United States)

Tali, S A Safiabadi; Soleimani-Amiri, S; Sanaee, Z; Mohajerzadeh, S

2017-02-10

We report successful deposition of nitrogen-doped amorphous carbon films to realize high-power core-shell supercapacitor electrodes. A catalyst-free method is proposed to deposit large-area stable, highly conformal and highly conductive nitrogen-doped amorphous carbon (a-C:N) films by means of a direct-current plasma enhanced chemical vapor deposition technique (DC-PECVD). This approach exploits C 2 H 2 and N 2 gases as the sources of carbon and nitrogen constituents and can be applied to various micro and nanostructures. Although as-deposited a-C:N films have a porous surface, their porosity can be significantly improved through a modification process consisting of Ni-assisted annealing and etching steps. The electrochemical analyses demonstrated the superior performance of the modified a-C:N as a supercapacitor active material, where specific capacitance densities as high as 42 F/g and 8.5 mF/cm 2 (45 F/cm 3 ) on silicon microrod arrays were achieved. Furthermore, this supercapacitor electrode showed less than 6% degradation of capacitance over 5000 cycles of a galvanostatic charge-discharge test. It also exhibited a relatively high energy density of 2.3 × 10 3  Wh/m 3 (8.3 × 10 6  J/m 3 ) and ultra-high power density of 2.6 × 10 8  W/m 3 which is among the highest reported values.

The relaxational behaviour of poly-(vinylidene fluoride) before and after gamma-irradiation

International Nuclear Information System (INIS)

Callens, A.

The main purpose of this work was to investigate how molecular chain reorganization may affect the physical property of polymers. This may be done by the analysis of the as received and post-irradiation relaxation spectra of the semi-crystalline linear chain polymer polyvinylidene fluoride (PVDF), which has been gamma-irradiated up to doses of 1 grad. The effects of the irradiation on the material are primarly main chain cross-linking production of unsaturated bonds and crystallite degradation. To reach a complete interpretation of the relaxation spectra, it is necessary to incorporate a third phase into the analysis besides the amorphous viscoelastic region (AVR) and the crystalline viscoelastic region (CVR), the intermediate phase. The amorphous phase (AVR) is at the origin of the relaxation effects occurring in the temperature region below room temperature. The saturation like behaviour of the cross-linking in the amorphous phase is at the origin of the intensity decrease, temperature shift and peak broadening of the beta relaxation. There is a large amount of evidence that in the neighbourhood of the beta relaxation, relaxation effects are created through irradiation, as mainly revealed by TSD-spectra (thermalloy stimulated depolarisation). The intensity of the gamma relaxation, gradually increases with dose, which has been attributed to the production of disordered chain from the debris of radiation enhanced crystallite destruction. The relaxation effect, occuring at the temperatures between AVR and CVR, is assigned to the long amorphous chain segments attached partly to the crystallites, mainly from the consideration of the similarity of the dose enhanced decrease in intensity of both beta and βsub(μ)-effects. The increase with dose of the intensity of the α1 relaxation, which has been classified within CVR, confirms the grainboundary hypothesis. The second component of CVR (α2 relaxation) is due to relaxation effects of molecular chains belonging to the

Suppressed beta relaxations and reduced heat capacity in ultrastable organic glasses prepared by physical vapor deposition

Science.gov (United States)

Ediger, Mark

Glasses play an important role in technology as a result of their macroscopic homogeneity (e.g., the clarity of window glass) and our ability to tune properties through composition changes. A problem with liquid-cooled glasses is that they exhibit marginal kinetic stability and slowly evolve towards lower energy glasses and crystalline states. In contrast, we have shown that physical vapor deposition can prepare glasses with very high kinetic stability. These materials have properties expected for ``million-year-old'' glasses, including high density, low enthalpy, and high mechanical moduli. We have used nanocalorimetry to show that these high stability glasses have lower heat capacities than liquid-cooled glasses for a number of molecular systems. Dielectric relaxation has been used to show that the beta relaxation can be suppressed by nearly a factor of four in vapor-deposited toluene glasses, indicating a very tight packing environment. Consistent with this view, computer simulations of high stability glasses indicate reduced Debye-Waller factors. These high stability materials raise interesting questions about the limiting properties of amorphous packing arrangements.

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.

Structural relaxations in the bulk amorphous alloy Fe{sub 61}Co{sub 10}Ti{sub 3}Y{sub 6}B{sub 20}

Energy Technology Data Exchange (ETDEWEB)

Błoch, K., E-mail: 23kasia1@wp.pl; Nabiałek, M.; Gondro, J.

2017-05-01

The paper presents studies of annealing effect on the disaccommodation phenomenon in bulk amorphous alloy Fe{sub 61}Co{sub 10}Ti{sub 3}Y{sub 6}B{sub 20}. The investigated sample was prepared by suction-casting method in the form of rod. The annealing process has been performed at temperature well below the crystallisation temperature. The amorphous structure has been confirmed using X-ray diffractometer. The susceptibility and its disaccommodation were determined using completely automated set up. The disaccommodation curve was decomposed into three elementary processes, each of them was described by Gaussian distribution of relaxation times. The obtained results indicate that the disaccommodation phenomenon in studied alloy is related with directional ordering of atom pairs near the free volumes; this is in agreement with H. Kronmüller's theorem.

Structural and phase transformations in the low-temperature annealed amorphous “finemet”-type microwires

Energy Technology Data Exchange (ETDEWEB)

Tcherdyntsev, V.V., E-mail: vvch08@yandex.ru [National University of Science and Technology “MISIS”, Moscow 119049 (Russian Federation); Aleev, A.A. [SSC RF Institute for Theoretical and Experimental Physics, Moscow 117218 (Russian Federation); Churyukanova, M.N.; Kaloshkin, S.D. [National University of Science and Technology “MISIS”, Moscow 119049 (Russian Federation); Medvedeva, E.V. [Institute of Electrophysics, Ural Branch, Russian Academy of Sciences, Yekaterinburg 620016 (Russian Federation); Korchuganova, O.A. [SSC RF Institute for Theoretical and Experimental Physics, Moscow 117218 (Russian Federation); Zhukova, V. [Dpto. de Fns. Mater., UPV/EHU, San Sebastian 20018 (Spain); Zhukov, A.P. [Dpto. de Fns. Mater., UPV/EHU, San Sebastian 20018 (Spain); IKERBASQUE, Basque Foundation for Science, 48011 Bilbao (Spain)

2014-02-15

Highlights: • Structure and magnetic properties evolution at heating of amorphous microwires was studied. • Relaxation processes in the amorphous phase correlate with an increase in Curie temperature. • Curie temperature change can not be stabilized by a prolonged exposure at pre-crystallization temperatures. • Tomographic atom probe microscopy supports the formation of α-Fe phase precipitations enriched in Si. -- Abstract: Finemet-type glass-coated microwires with amorphous and nanocrystalline structure have been investigated. The relaxation and crystallization processes at heating of amorphous alloy have been studied by DSC method. We observed that the relaxation processes in the amorphous phase correlate with an increasing of the Curie temperature. Additionally a prolonged exposure of the samples below the crystallization temperatures does not stabilize the Curie temperature change. An investigation by the tomographic atom probe microscopy supports the formation of precipitations, probably α-Fe phase, as a result of low-temperature annealing (400 °C, 5 min). We found that the observed nano-sized areas were enriched in silicon.

Structural and phase transformations in the low-temperature annealed amorphous “finemet”-type microwires

International Nuclear Information System (INIS)

Tcherdyntsev, V.V.; Aleev, A.A.; Churyukanova, M.N.; Kaloshkin, S.D.; Medvedeva, E.V.; Korchuganova, O.A.; Zhukova, V.; Zhukov, A.P.

2014-01-01

Highlights: • Structure and magnetic properties evolution at heating of amorphous microwires was studied. • Relaxation processes in the amorphous phase correlate with an increase in Curie temperature. • Curie temperature change can not be stabilized by a prolonged exposure at pre-crystallization temperatures. • Tomographic atom probe microscopy supports the formation of α-Fe phase precipitations enriched in Si. -- Abstract: Finemet-type glass-coated microwires with amorphous and nanocrystalline structure have been investigated. The relaxation and crystallization processes at heating of amorphous alloy have been studied by DSC method. We observed that the relaxation processes in the amorphous phase correlate with an increasing of the Curie temperature. Additionally a prolonged exposure of the samples below the crystallization temperatures does not stabilize the Curie temperature change. An investigation by the tomographic atom probe microscopy supports the formation of precipitations, probably α-Fe phase, as a result of low-temperature annealing (400 °C, 5 min). We found that the observed nano-sized areas were enriched in silicon

Highly luminescent, high-indium-content InGaN film with uniform composition and full misfit-strain relaxation

Science.gov (United States)

Fischer, A. M.; Wei, Y. O.; Ponce, F. A.; Moseley, M.; Gunning, B.; Doolittle, W. A.

2013-09-01

We have studied the properties of thick InxGa1-xN films, with indium content ranging from x ˜ 0.22 to 0.67, grown by metal-modulated epitaxy. While the low indium-content films exhibit high density of stacking faults and dislocations, a significant improvement in the crystalline quality and optical properties has been observed starting at x ˜ 0.6. Surprisingly, the InxGa1-xN film with x ˜ 0.67 exhibits high luminescence intensity, low defect density, and uniform full lattice-mismatch strain relaxation. The efficient strain relaxation is shown to be due to a critical thickness close to the monolayer range. These films were grown at low temperatures (˜400 °C) to facilitate indium incorporation and with precursor modulation to enhance surface morphology and metal adlayer diffusion. These findings should contribute to the development of growth techniques for nitride semiconductors under high lattice misfit conditions.

Doping efficiency analysis of highly phosphorous doped epitaxial/amorphous silicon emitters grown by PECVD for high efficiency silicon solar cells

Energy Technology Data Exchange (ETDEWEB)

El-Gohary, H.G.; Sivoththaman, S. [Waterloo Univ., ON (Canada). Dept. of Electrical and Computer Engineering

2008-08-15

The efficient doping of hydrogenated amorphous and crystalline silicon thin films is a key factor in the fabrication of silicon solar cells. The most popular method for developing those films is plasma enhanced chemical vapor deposition (PECVD) because it minimizes defect density and improves doping efficiency. This paper discussed the preparation of different structure phosphorous doped silicon emitters ranging from epitaxial to amorphous films at low temperature. Phosphine (PH{sub 3}) was employed as the doping gas source with the same gas concentration for both epitaxial and amorphous silicon emitters. The paper presented an analysis of dopant activation by applying a very short rapid thermal annealing process (RTP). A spreading resistance profile (SRP) and SIMS analysis were used to detect both the active dopant and the dopant concentrations, respectively. The paper also provided the results of a structural analysis for both bulk and cross-section at the interface using high-resolution transmission electron microscopy and Raman spectroscopy, for epitaxial and amorphous films. It was concluded that a unity doping efficiency could be achieved in epitaxial layers by applying an optimized temperature profile using short time processing rapid thermal processing technique. The high quality, one step epitaxial layers, led to both high conductive and high doping efficiency layers.

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

PECVD deposition of device-quality intrinsic amorphous silicon at high growth rate

Energy Technology Data Exchange (ETDEWEB)

Carabe, J [Inst. de Energias Renovables, CIEMAT, Madrid (Spain); Gandia, J J [Inst. de Energias Renovables, CIEMAT, Madrid (Spain); Gutierrez, M T [Inst. de Energias Renovables, CIEMAT, Madrid (Spain)

1993-11-01

The combined influence of RF-power density (RFP) and silane flow-rate ([Phi]) on the deposition rate of plasma-enhanced chemical vapour deposition (PECVD) intrinsic amorphous silicon has been investigated. The correlation of the results obtained from the characterisation of the material with the silane deposition efficiency, as deduced from mass spectrometry, has led to an interpretation allowing to deposit intrinsic amorphous-silicon films having an optical gap of 1.87 eV and a photoconductive ratio (ratio of ambient-temperature conductivities under 1 sun AM1 and in dark) of 6 orders of magnitude at growth rates up to 10 A/s, without any structural modification of the PECVD system used. Such results are considered of high relevance regarding industrial competitiveness. (orig.)

Ultras-stable Physical Vapor Deposited Amorphous Teflon Films with Extreme Fictive Temperature Reduction

Science.gov (United States)

McKenna, Gregory; Yoon, Heedong; Koh, Yung; Simon, Sindee

In the present work, we have produced highly stable amorphous fluoropolymer (Teflon AF® 1600) films to study the calorimetric and relaxation behavior in the deep in the glassy regime. Physical vapor deposition (PVD) was used to produce 110 to 700 nm PVD films with substrate temperature ranging from 0.70 Tg to 0.90 Tg. Fictive temperature (Tf) was measured using Flash DSC with 600 K/s heating and cooling rates. Consistent with prior observations for small molecular weight glasses, large enthalpy overshoots were observed in the stable amorphous Teflon films. The Tf reduction for the stable Teflon films deposited in the vicinity of 0.85 Tg was approximately 70 K compared to the Tgof the rejuvenated system. The relaxation behavior of stable Teflon films was measured using the TTU bubble inflation technique and following Struik's protocol in the temperature range from Tf to Tg. The results show that the relaxation time decreases with increasing aging time implying that devitrification is occurring in this regime.

Molecular motions in sucrose-PVP and sucrose-sorbitol dispersions-II. Implications of annealing on secondary relaxations.

Science.gov (United States)

Bhattacharya, Sisir; Bhardwaj, Sunny P; Suryanarayanan, Raj

2014-10-01

To determine the effect of annealing on the two secondary relaxations in amorphous sucrose and in sucrose solid dispersions. Sucrose was co-lyophilized with either PVP or sorbitol, annealed for different time periods and analyzed by dielectric spectroscopy. In an earlier investigation, we had documented the effect of PVP and sorbitol on the primary and the two secondary relaxations in amorphous sucrose solid dispersions (1). Here we investigated the effect of annealing on local motions, both in amorphous sucrose and in the dispersions. The average relaxation time of the local motion (irrespective of origin) in sucrose, decreased upon annealing. However, the heterogeneity in relaxation time distribution as well as the dielectric strength decreased only for β1- (the slower relaxation) but not for β2-relaxations. The effect of annealing on β2-relaxation times was neutralized by sorbitol while PVP negated the effect of annealing on both β1- and β2-relaxations. An increase in local mobility of sucrose brought about by annealing could be negated with an additive.

CREEP-INDUCED STRUCTURAL CHANGES IN Ni-Si-B AMORPHOUS ALLOY

NARCIS (Netherlands)

Jurikova, A.; Miskuf, J.; Csach, K.; Ocelik, V.

The influence of the stress annealing on the reversible structural relaxation of a Ni-Si-B amorphous ribbon was studied. Creep-induced structural changes in the amorphous structure were derived from anisothermal DSC and dilatometric experiments. It is demonstrated that considerable enthalpy and

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

Nanocomposites of high-density polyethylene with amorphous calcium phosphate: in vitro biomineralization and cytocompatibility of human mesenchymal stem cells

International Nuclear Information System (INIS)

Hild, Nora; Fuhrer, Roland; Mohn, Dirk; Bubenhofer, Stephanie B; Grass, Robert N; Luechinger, Norman A; Stark, Wendelin J; Feldman, Kirill; Dora, Claudio

2012-01-01

Polyethylene is widely used as a component of implants in medicine. Composites made of high-density polyethylene (HDPE) containing different amounts of amorphous calcium phosphate nanoparticles were investigated concerning their in vitro biomedical performance. The nanoparticles were produced by flame spray synthesis and extruded with HDPE, the latter complying with Food and Drug Administration regulations. Mechanical properties such as Young's modulus and contact angle as well as in vitro biomineralization of the nanocomposites hot-pressed into thin films were evaluated. The deposition of a hydroxyapatite layer occurred upon immersion in simulated body fluid. Additionally, a cell culture study with human mesenchymal stem cells for six weeks allowed a primary assessment of the cytocompatibility. Viability assays (alamarBlue and lactate dehydrogenase detection) proved the absence of cytotoxic effects of the scaffolds. Microscopic images after hematoxylin and eosin staining confirmed typical growth and morphology. A preliminary experiment analyzed the alkaline phosphatase activity after two weeks. These findings motivate further investigations on bioactive HDPE in bone tissue engineering. (paper)

Nanocomposites of high-density polyethylene with amorphous calcium phosphate: in vitro biomineralization and cytocompatibility of human mesenchymal stem cells.

Science.gov (United States)

Hild, Nora; Fuhrer, Roland; Mohn, Dirk; Bubenhofer, Stephanie B; Grass, Robert N; Luechinger, Norman A; Feldman, Kirill; Dora, Claudio; Stark, Wendelin J

2012-10-01

Polyethylene is widely used as a component of implants in medicine. Composites made of high-density polyethylene (HDPE) containing different amounts of amorphous calcium phosphate nanoparticles were investigated concerning their in vitro biomedical performance. The nanoparticles were produced by flame spray synthesis and extruded with HDPE, the latter complying with Food and Drug Administration regulations. Mechanical properties such as Young's modulus and contact angle as well as in vitro biomineralization of the nanocomposites hot-pressed into thin films were evaluated. The deposition of a hydroxyapatite layer occurred upon immersion in simulated body fluid. Additionally, a cell culture study with human mesenchymal stem cells for six weeks allowed a primary assessment of the cytocompatibility. Viability assays (alamarBlue and lactate dehydrogenase detection) proved the absence of cytotoxic effects of the scaffolds. Microscopic images after hematoxylin and eosin staining confirmed typical growth and morphology. A preliminary experiment analyzed the alkaline phosphatase activity after two weeks. These findings motivate further investigations on bioactive HDPE in bone tissue engineering.

Low-density to high-density transition in Ce75Al23Si2 metallic glass

International Nuclear Information System (INIS)

Zeng, Q S; Lou, H B; Gong, Y; Wang, X D; Jiang, J Z; Fang, Y Z; Wu, F M; Yang, K; Li, A G; Yan, S; Yu, X H; Lathe, C

2010-01-01

Using in situ high-pressure x-ray diffraction (XRD), we observed a pressure-induced polyamorphic transition from the low-density amorphous (LDA) state to the high-density amorphous (HDA) state in Ce 75 Al 23 Si 2 metallic glass at about 2 GPa and 300 K. The thermal stabilities of both LDA and HDA metallic glasses were further investigated using in situ high-temperature and high-pressure XRD, which revealed different pressure dependences of the onset crystallization temperature (T x ) between them with a turning point at about 2 GPa. Compared with Ce 75 Al 25 metallic glass, minor Si doping shifts the onset polyamorphic transition pressure from 1.5 to 2 GPa and obviously stabilizes both LDA and HDA metallic glasses with higher T x and changes their slopes dT x /dP. The results obtained in this work reveal another polyamorphous metallic glass system by minor alloying (e.g. Si), which could modify the transition pressure and also properties of LDA and HDA metallic glasses. The minor alloying effect reported here is valuable for the development of more polyamorphous metallic glasses, even multicomponent bulk metallic glasses with modified properties, which will trigger more investigations in this field and improve our understanding of polyamorphism and metallic glasses.

Material parameters in a thick hydrogenated amorphous silicon detector and their effect on signal collection

International Nuclear Information System (INIS)

Qureshi, S.; Perez-Mendez, V.; Kaplan, S.N.; Fujieda, I.; Cho, G.; Street, R.A.

1989-04-01

Transient photoconductivity and ESR measurements were done to relate the ionized dangling bond density of thick hydrogenated amorphous silicon (a-Si:H) detectors. We found that only a fraction (/approximately/30--35%) of the total defect density as measured by ESR is ionized when the detector is biased into deep depletion. The measurements on annealed samples also show that this fraction is about 0.3. An explanation based on the shift of the Fermi energy is given. The measurements show that the time dependence of relaxation is a stretched exponential. 8 refs., 4 figs., 1 tab

Study of magnetic properties and relaxation in amorphous Fe73.9Nb3.1Cu0.9Si13.2B8.9 thin films produced by ion beam sputtering

International Nuclear Information System (INIS)

Celegato, F.; Coiesson, M.; Magni, A.; Tiberto, P.; Vinai, F.; Kane, S. N.; Modak, S. S.; Gupta, A.; Sharma, P.

2007-01-01

Amorphous Fe 73.9 Nb 3.1 Cu 0.9 Si 13.2 B 8.9 thin films have been produced by ion beam sputtering with two different beam energies (500 and 1000 eV). Magnetic measurements indicate that the samples display a uniaxial magnetic anisotropy, especially for samples prepared with the lower beam energy. Magnetization relaxation has been measured on both films with an alternating gradient force magnetometer and magneto-optical Kerr effect. Magnetization relaxation occurs on time scales of tens of seconds and can be described with a single stretched exponential function. Relaxation intensity turns out to be higher when measured along the easy magnetization axis

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.

Feasibility study of hydrogenated amorphous alloys as high-damping materials

International Nuclear Information System (INIS)

Mizubayashi, H.; Ishikawa, Y.; Tanimoto, H.

2004-01-01

The hydrogen internal friction peak (HIFP) and the tensile strength, σ f , in amorphous (denoted by 'a') Zr 60-y Cu 30 Al 10 Si y (y=0, 1) and a-Zr 40 Cu 50-x Al 10 Si x (x=0, 1) alloys are investigated as a function of the hydrogen concentration, C H . The drastic increase in the peak temperature, T p , of the HIFP due to the Si addition by 1 at.% is found for the a-Zr 40 Cu 49 Al 10 Si 1 , where the decrease in 1/τ 0 (τ 0 denotes the pre-exponential factor of the relaxation time for the HIFP) from 1.5x10 12 s -1 to 3.0x10 10 s -1 is observed. On the other hand, the increase in T p due to the Si addition by 1 at.% is much smaller for a-Zr 59 Cu 30 Al 10 Si 1 , where 1/τ 0 for the HIFP in a-Zr 60 Cu 30 Al 10 is already as low as that for a- Zr 40 Cu 49 Al 10 Si 1 . For the HIFP with the peak height, Q p -1 , beyond 1x10 -2 , Q p -1 in the as-charged state decreases after heating to about 380 K because of the hydrogen induced structural relaxation (HISR). The HIFP with Q p -1 below 1x10 -2 is rather stable against the HISR. It is suggested that the highly anisotropic local strain around a hydrogen atom is responsible for the very high Q p -1 and the HISR. For the high-strength and high-damping performance, σ f is higher than 1.5 GPa and Q p -1 after the HISR is slightly lower than 1x10 -2 for the present Zr-Cu-Al-(Si) a-alloys

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.

Density model for medium range order in amorphous materials: application to small angle scattering

International Nuclear Information System (INIS)

Boucher, B.; Tournarie, M.; Chieux, P.; Convert, P.

1983-06-01

We consider a family of randomly spaced parallel planes, each plane dressed with a density function, h(x), where x is the distance from the plane. An expression for the volume scattering power from a system of N such families with random orientations in space is derived from Fourier transform of h(x), which can subsequently be determined from experimental observations. This density model is used to interpret the small angle neutron scattering (SANS) results for the amorphous alloy TbCusub(3.54)

Nature of amorphous polymorphism of water

International Nuclear Information System (INIS)

Koza, M.M.; Schober, H.; Hansen, T.; Geil, B.; Winkel, K.; Koehler, C.; Scheuermann, M.; Czeschka, F.

2005-01-01

We report elastic and inelastic neutron scattering experiments on different amorphous ice modifications. It is shown that an amorphous structure (HDA ' ) indiscernible from the high-density phase (HDA), obtained by compression of crystalline ice, can be formed from the very high-density phase (vHDA) as an intermediate stage of the transition of vHDA into its low-density modification (LDA ' ). Both HDA and HDA ' exhibit comparable small-angle scattering signals characterizing them as structures heterogeneous on a length scale of a few nanometers. The homogeneous structures are the initial and final transition stages vHDA and LDA ' , respectively. Despite their apparent structural identity on a local scale, HDA and HDA ' differ in their transition kinetics explored by in situ experiments. The activation energy of the vHDA-to-LDA ' transition is at least 20 kJ/mol higher than the activation energy of the HDA-to-LDA transition

Ion beam induced stress formation and relaxation in germanium

Energy Technology Data Exchange (ETDEWEB)

Steinbach, T., E-mail: Tobias.Steinbach@uni-jena.de [Institut für Festkörperphysik, Friedrich-Schiller-Universität Jena, Max-Wien-Platz 1, D-07743 Jena (Germany); Reupert, A.; Schmidt, E.; Wesch, W. [Institut für Festkörperphysik, Friedrich-Schiller-Universität Jena, Max-Wien-Platz 1, D-07743 Jena (Germany)

2013-07-15

Ion irradiation of crystalline solids leads not only to defect formation and amorphization but also to mechanical stress. In the past, many investigations in various materials were performed focusing on the ion beam induced damage formation but only several experiments were done to investigate the ion beam induced stress evolution. Especially in microelectronic devices, mechanical stress leads to several unwanted effects like cracking and peeling of surface layers as well as changing physical properties and anomalous diffusion of dopants. To study the stress formation and relaxation process in semiconductors, crystalline and amorphous germanium samples were irradiated with 3 MeV iodine ions at different ion fluence rates. The irradiation induced stress evolution was measured in situ with a laser reflection technique as a function of ion fluence, whereas the damage formation was investigated by means of Rutherford backscattering spectrometry. The investigations show that mechanical stress builds up at low ion fluences as a direct consequence of ion beam induced point defect formation. However, further ion irradiation causes a stress relaxation which is attributed to the accumulation of point defects and therefore the creation of amorphous regions. A constant stress state is reached at high ion fluences if a homogeneous amorphous surface layer was formed and no further ion beam induced phase transition took place. Based on the results, we can conclude that the ion beam induced stress evolution seems to be mainly dominated by the creation and accumulation of irradiation induced structural modification.

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.

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

Dynamics and Structural Details of Amorphous Phases of Ice Determined by Incoherent Inelastic Neutron Scattering

International Nuclear Information System (INIS)

Klug, D.D.; Tulk, C.A.; Svensson, E.C.; Loong, C.

1999-01-01

Incoherent-inelastic neutron scattering data are obtained over the energy range of lattice and internal vibrations of water molecules in phases of ice prepared by pressure-induced amorphization (high-density amorphous ice, hda), by thermal annealing of hda (low-density amorphous ice, lda), and by rapidly cooling water, as well as in ice Ih and Ic . Hydrogen bonding interactions in lda differ significantly from those in the glass obtained by rapid quenching, which has hydrogen-bond interactions characteristic of highly supercooled water. Hydrogen-bond interactions in hda are weaker than in the low-density phases. copyright 1999 The American Physical Society

A Stabilized Incompressible SPH Method by Relaxing the Density Invariance Condition

Directory of Open Access Journals (Sweden)

Mitsuteru Asai

2012-01-01

Full Text Available A stabilized Incompressible Smoothed Particle Hydrodynamics (ISPH is proposed to simulate free surface flow problems. In the ISPH, pressure is evaluated by solving pressure Poisson equation using a semi-implicit algorithm based on the projection method. Even if the pressure is evaluated implicitly, the unrealistic pressure fluctuations cannot be eliminated. In order to overcome this problem, there are several improvements. One is small compressibility approach, and the other is introduction of two kinds of pressure Poisson equation related to velocity divergence-free and density invariance conditions, respectively. In this paper, a stabilized formulation, which was originally proposed in the framework of Moving Particle Semi-implicit (MPS method, is applied to ISPH in order to relax the density invariance condition. This formulation leads to a new pressure Poisson equation with a relaxation coefficient, which can be estimated by a preanalysis calculation. The efficiency of the proposed formulation is tested by a couple of numerical examples of dam-breaking problem, and its effects are discussed by using several resolution models with different particle initial distances. Also, the effect of eddy viscosity is briefly discussed in this paper.

Highly biocompatible TiO2:Gd3+ nano-contrast agent with enhanced longitudinal relaxivity for targeted cancer imaging

Science.gov (United States)

Chandran, Parwathy; Sasidharan, Abhilash; Ashokan, Anusha; Menon, Deepthy; Nair, Shantikumar; Koyakutty, Manzoor

2011-10-01

We report the development of a novel magnetic nano-contrast agent (nano-CA) based on Gd3+ doped amorphous TiO2 of size ~25 nm, exhibiting enhanced longitudinal relaxivity (r1) and magnetic resonance (MR) contrasting together with excellent biocompatibility. Quantitative T1 mapping of phantom samples using a 1.5 T clinical MR imaging system revealed that the amorphous phase of doped titania has the highest r1 relaxivity which is ~2.5 fold higher than the commercially used CA Magnevist™. The crystalline (anatase) samples formed by air annealing at 250 °C and 500 °C showed significant reduction in r1 values and MR contrast, which is attributed to the loss of proton-exchange contribution from the adsorbed water and atomic re-arrangement of Gd3+ ions in the crystalline host lattice. Nanotoxicity studies including cell viability, plasma membrane integrity, reactive oxygen stress and expression of pro-inflammatory cytokines, performed on human primary endothelial cells (HUVEC), human blood derived peripheral blood mononuclear cells (PBMC) and nasopharyngeal epidermoid carcinoma (KB) cell line showed excellent biocompatibility up to relatively higher doses of 200 μg ml-1. The potential of this nano-CA to cause hemolysis, platelet aggregation and plasma coagulation were studied using human peripheral blood samples and found no adverse effects, illustrating the possibility of the safe intravenous administration of these agents for human applications. Furthermore, the ability of these agents to specifically detect cancer cells by targeting molecular receptors on the cell membrane was demonstrated on folate receptor (FR) positive oral carcinoma (KB) cells, where the folic acid conjugated nano-CA showed receptor specific accumulation on cell membrane while leaving the normal fibroblast cells (L929) unstained. This study reveals that the Gd3+ doped amorphous TiO2 nanoparticles having enhanced magnetic resonance contrast and high biocompatibility is a promising candidate for

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

Spectral analysis of creep recovery process in finemet type amorphous alloy

NARCIS (Netherlands)

Jurikova, A; Csach, K; Miskuf, J; Bengus, VZ; Ocelik, Vaclav

2002-01-01

The creep recovery process in Finemet type amorphous alloy leas been analyzed using the method for calculating the relaxation tithe spectra. The influence of structural relaxation and temperature on the spectra shape lags been studied. The creep recovery spectrum of the anelastic deformation of the

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)

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.

Serially Connected Micro Amorphous Silicon Solar Cells for Compact High-Voltage Sources

Directory of Open Access Journals (Sweden)

Jiyoon Nam

2016-01-01

Full Text Available We demonstrate a compact amorphous silicon (a-Si solar module to be used as high-voltage power supply. In comparison with the organic solar module, the main advantages of the a-Si solar module are its compatibility with photolithography techniques and relatively high power conversion efficiency. The open circuit voltage of a-Si solar cells can be easily controlled by serially interconnecting a-Si solar cells. Moreover, the a-Si solar module can be easily patterned by photolithography in any desired shapes with high areal densities. Using the photolithographic technique, we fabricate a compact a-Si solar module with noticeable photovoltaic characteristics as compared with the reported values for high-voltage power supplies.

Approach to equilibrium in a pure superconductor. The relaxation of the Cooper pair density

Energy Technology Data Exchange (ETDEWEB)

Schid, A

1968-01-01

Electron-phonon and electron-electron collisions are the processes which determine the relaxation time r/sub R/ of the Cooper pair density. The case is considered for which the deviation of the pair density from equilibrium is small and where the equilibrium state is homogeneous. Starting from the Eliashberg equation one is able to reduce the problem to a quadrature once the equilibrium Green functions are known.

Abrupt relaxation in high-spin molecules

International Nuclear Information System (INIS)

Chang, C.-R.; Cheng, T.C.

2000-01-01

Mean-field model suggests that the rate of resonant quantum tunneling in high-spin molecules is not only field-dependent but also time-dependent. The relaxation-assisted resonant tunneling in high-spin molecules produces an abrupt magnetization change during relaxation. When the applied field is very close to the resonant field, a time-dependent interaction field gradually shifts the energies of different collective spin states, and magnetization tunneling is observed as two energies of the spin states coincide

Electron-irradiation-induced crystallization of amorphous orthophosphates

International Nuclear Information System (INIS)

Meldrum, A.; Ewing, R.C.; Boatner, L.A.

1996-12-01

Amorphous LaPO 4 , EuPO 4 , GdPO 4 , ScPO 4 , and fluorapatite [Ca 5 (PO 4 ) 3 F] were irradiated by electron beam in a TEM. Irradiations were done at -150 to 300 C, 80 to 200 keV, and current densities from 0.3 to 16 A/cm 2 . In all cases, the materials crystallized to form a randomly oriented polycrystalline assemblage. Crystallization is driven dominantly by inelastic processes, although ballistic collisions with target nuclei can be important above 175 keV, particularly in apatite. Using a high current density, crystallization is so fast that continuous lines of crystallites can be ''drawn'' on the amorphous matrix

Accelerated Physical Stability Testing of Amorphous Dispersions.

Science.gov (United States)

Mehta, Mehak; Suryanarayanan, Raj

2016-08-01

The goal was to develop an accelerated physical stability testing method of amorphous dispersions. Water sorption is known to cause plasticization and may accelerate drug crystallization. In an earlier investigation, it was observed that both the increase in mobility and decrease in stability in amorphous dispersions was explained by the "plasticization" effect of water (Mehta et al. Mol. Pharmaceutics 2016, 13 (4), 1339-1346). In this work, the influence of water concentration (up to 1.8% w/w) on the correlation between mobility and crystallization in felodipine dispersions was investigated. With an increase in water content, the α-relaxation time as well as the time for 1% w/w felodipine crystallization decreased. The relaxation times of the systems, obtained with different water concentration, overlapped when the temperature was scaled (Tg/T). The temperature dependencies of the α-relaxation time as well as the crystallization time were unaffected by the water concentration. Thus, the value of the coupling coefficient, up to a water concentration of 1.8% w/w, was approximately constant. Based on these findings, the use of "water sorption" is proposed to build predictive models for crystallization in slow crystallizing dispersions.

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.

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

Polyamorphism in Water: Amorphous Ices and their Glassy States

Science.gov (United States)

Amann-Winkel, K.; Boehmer, R.; Fujara, F.; Gainaru, C.; Geil, B.; Loerting, T.

2015-12-01

Water is ubiquitous and of general importance for our environment. But it is also known as the most anomalous liquid. The fundamental origin of the numerous anomalies of water is still under debate. An understanding of these anomalous properties of water is closely linked to an understanding of the phase diagram of the metastable non-crystalline states of ice. The process of pressure induced amorphization of ice was first observed by Mishima et al. [1]. The authors pressurized hexagonal ice at 77 K up to a pressure of 1.6 GPa to form high density amorphous ice (HDA). So far three distinct structural states of amorphous water are known [2], they are called low- (LDA), high- (HDA) and very high density amorphous ice (VHDA). Since the discovery of multiple distinct amorphous states it is controversy discussed whether this phenomenon of polyamorphism at high pressures is connected to the occurrence of more than one supercooled liquid phase [3]. Alternatively, amorphous ices have been suggested to be of nanocrystalline nature, unrelated to liquids. Indeed inelastic X-ray scattering measurements indicate sharp crystal-like phonons in the amorphous ices [4]. In case of LDA the connection to the low-density liquid (LDL) was inferred from several experiments including the observation of a calorimetric glass-to-liquid transition at 136 K and ambient pressure [5]. Recently also the glass transition in HDA was observed at 116 K at ambient pressure [6] and at 140 K at elevated pressure of 1 GPa [7], using calorimetric measurements as well as dielectric spectroscopy. We discuss here the general importance of amorphous ices and their liquid counterparts and present calorimetric and dielectric measurements on LDA and HDA. The good agreement between dielectric and calorimetric results convey for a clearer picture of water's vitrification phenomenon. [1] O. Mishima, L. D. Calvert, and E. Whalley, Nature 314, 76, 1985 [2] D.T. Bowron, J. L. Finney, A. Hallbrucker, et al., J. Chem

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.

Analysis of thermal detrapping of holes created by electron irradiation in high purity amorphous SiO_2 using the induced and secondary current measurements

International Nuclear Information System (INIS)

Said, K.; Moya, G.; Si Ahmed, A.; Damamme, G.; Kallel, A.

2016-01-01

Graphical abstract: - Highlights: • Positive charging of high purity amorphous SiO_2 achieved by electron irradiation in a specially equipped scanning electron microscope. • Quantity of detrapped holes evaluated via measurements of induced and secondary electron currents. • Study of isothermal detrapping for different temperatures (300–663 K). • Analysis of the hole detrapping via a first order kinetics. • Evaluation of the hole detrapping parameters (activation energy and frequency factor). - Abstract: Isothermal detrapping of holes after electron irradiation (using a SEM) in high purity amorphous SiO_2 is evaluated at different temperatures (in the range 300–663 K) by means of the induced and secondary current measurements. In order to single out the hole detrapping, the specific charging conditions (1 keV defocused electron beam of low density) leading to positive charging are adopted. The thermal detrapping, which stems from a single trap, begins at 523 K and is completed at 663 K. After annealing in air at 973 K during 48 h, two detrapping stages are revealed: the former is connected with an additional shallow trap, while the latter requires temperatures above 663 K for a complete detrapping. The first order kinetics describes reasonably well the detrapping process. The frequency factors (near 10"1"0 s"−"1) and the activation energies (about 1.6 eV) deduced from this analysis could be assigned, respectively, to the relaxation connected to detrapping and to the trap energy level of the charged oxygen vacancy.

Impact of hydrogen dilution on optical properties of intrinsic hydrogenated amorphous silicon films prepared by high density plasma chemical vapor deposition for solar cell applications

Science.gov (United States)

Chen, Huai-Yi; Lee, Yao-Jen; Chang, Chien-Pin; Koo, Horng-Show; Lai, Chiung-Hui

2013-01-01

P-i-n single-junction hydrogenated amorphous silicon (a-Si:H) thin film solar cells were successfully fabricated in this study on a glass substrate by high density plasma chemical vapor deposition (HDP-CVD) at low power of 50 W, low temperature of 200°C and various hydrogen dilution ratios (R). The open circuit voltage (Voc ), short circuit current density (Jsc ), fill factor (FF) and conversion efficiency (η) of the solar cell as well as the refractive index (n) and absorption coefficient (α) of the i-layer at 600 nm wavelength rise with increasing R until an abrupt drop at high hydrogen dilution, i.e. R > 0.95. However, the optical energy bandgap (Eg ) of the i-layer decreases with the R increase. Voc and α are inversely correlated with Eg . The hydrogen content affects the i-layer and p/i interface quality of the a-Si:H thin film solar cell with an optimal value of R = 0.95, which corresponds to solar cell conversion efficiency of 3.85%. The proposed a-Si:H thin film solar cell is expected to be improved in performance.

Thermal conductivity of sputtered amorphous Ge films

International Nuclear Information System (INIS)

Zhan, Tianzhuo; Xu, Yibin; Goto, Masahiro; Tanaka, Yoshihisa; Kato, Ryozo; Sasaki, Michiko; Kagawa, Yutaka

2014-01-01

We measured the thermal conductivity of amorphous Ge films prepared by magnetron sputtering. The thermal conductivity was significantly higher than the value predicted by the minimum thermal conductivity model and increased with deposition temperature. We found that variations in sound velocity and Ge film density were not the main factors in the high thermal conductivity. Fast Fourier transform patterns of transmission electron micrographs revealed that short-range order in the Ge films was responsible for their high thermal conductivity. The results provide experimental evidences to understand the underlying nature of the variation of phonon mean free path in amorphous solids

Magnetic Properties of Nanometer-sized Crystalline and Amorphous Particles

DEFF Research Database (Denmark)

Mørup, Steen; Bødker, Franz; Hansen, Mikkel Fougt

1997-01-01

Amorphous transition metal-metalloid alloy particles can be prepared by chemical preparation techniques. We discuss the preparation of transition metal-boron and iron-carbon particles and their magnetic properties. Nanometer-sized particles of both crystalline and amorphous magnetic materials...... are superparamagnetic at finite temperatures. The temperature dependence of the superparamagnetic relaxation time and the influence of inter-particle interactions is discussed. Finally, some examples of studies of surface magnetization of alpha-Fe particles are presented....

Vibrational spectra and boson-like excitations in different amorphous forms of ice

International Nuclear Information System (INIS)

Kolesnikov, A.I.; Li, J.C.; Uffindell, C.H.

1999-01-01

Complete text of publication follows. Glasses are very interesting objects in the physics of condensed matter, with many universal properties, such as low-energy excitations (LEE) coexisting with the sound waves and giving an excess of vibrational modes with respect to the crystalline spectrum (the so called 'boson' peak) in Raman and inelastic neutron scattering (INS). Recently it was discovered that films of hydrogenated amorphous silicon do not show such LEE, whereas films of amorphous silicon do [1]. Also, the resonant absorption by two-level systems was observed for the high-density amorphous (hda) ice but not for the low-density amorphous (lda) ice in the far infrared spectra [2]. Thus, the nature of these near universal LEE becomes rather puzzling. This report presents the results of INS studies for hda and lda ice produced by high-pressure treatment and for vapor-deposited lda ice. Clear LEE were observed in the spectra for hda and deposited lda ice unlike their crystalline analogues. (author)

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

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

Low-density to high-density transition in Ce{sub 75}Al{sub 23}Si{sub 2} metallic glass

Energy Technology Data Exchange (ETDEWEB)

Zeng, Q S; Lou, H B; Gong, Y; Wang, X D; Jiang, J Z [International Center for New-Structured Materials, Zhejiang University, Hangzhou 310027 (China); Fang, Y Z; Wu, F M [College of Mathematics, Physics and Information Engineering, Zhejiang Normal University, Jinhua 321004, Zhejiang (China); Yang, K; Li, A G; Yan, S; Yu, X H [Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201203 (China); Lathe, C, E-mail: qiaoshizeng@gmail.co, E-mail: jiangjz@zju.edu.c [HASYLAB am DESY, Notkestrasse 85, Hamburg D-22603 (Germany)

2010-09-22

Using in situ high-pressure x-ray diffraction (XRD), we observed a pressure-induced polyamorphic transition from the low-density amorphous (LDA) state to the high-density amorphous (HDA) state in Ce{sub 75}Al{sub 23}Si{sub 2} metallic glass at about 2 GPa and 300 K. The thermal stabilities of both LDA and HDA metallic glasses were further investigated using in situ high-temperature and high-pressure XRD, which revealed different pressure dependences of the onset crystallization temperature (T{sub x}) between them with a turning point at about 2 GPa. Compared with Ce{sub 75}Al{sub 25} metallic glass, minor Si doping shifts the onset polyamorphic transition pressure from 1.5 to 2 GPa and obviously stabilizes both LDA and HDA metallic glasses with higher T{sub x} and changes their slopes dT{sub x}/dP. The results obtained in this work reveal another polyamorphous metallic glass system by minor alloying (e.g. Si), which could modify the transition pressure and also properties of LDA and HDA metallic glasses. The minor alloying effect reported here is valuable for the development of more polyamorphous metallic glasses, even multicomponent bulk metallic glasses with modified properties, which will trigger more investigations in this field and improve our understanding of polyamorphism and metallic glasses.

Nature of phase transitions in crystalline and amorphous GeTe-Sb2Te3 phase change materials.

Science.gov (United States)

Kalkan, B; Sen, S; Clark, S M

2011-09-28

The thermodynamic nature of phase stabilities and transformations are investigated in crystalline and amorphous Ge(1)Sb(2)Te(4) (GST124) phase change materials as a function of pressure and temperature using high-resolution synchrotron x-ray diffraction in a diamond anvil cell. The phase transformation sequences upon compression, for cubic and hexagonal GST124 phases are found to be: cubic → amorphous → orthorhombic → bcc and hexagonal → orthorhombic → bcc. The Clapeyron slopes for melting of the hexagonal and bcc phases are negative and positive, respectively, resulting in a pressure dependent minimum in the liquidus. When taken together, the phase equilibria relations are consistent with the presence of polyamorphism in this system with the as-deposited amorphous GST phase being the low entropy low-density amorphous phase and the laser melt-quenched and high-pressure amorphized GST being the high entropy high-density amorphous phase. The metastable phase boundary between these two polyamorphic phases is expected to have a negative Clapeyron slope. © 2011 American Institute of Physics

Analysis of thermal detrapping of holes created by electron irradiation in high purity amorphous SiO{sub 2} using the induced and secondary current measurements

Energy Technology Data Exchange (ETDEWEB)

Said, K., E-mail: kamel.said@fss.rnu.tn [LaMaCoP, Université de Sfax, BP 1171, 3000 Sfax (Tunisia); Moya, G.; Si Ahmed, A. [Im2np, UMR 7334 CNRS, Aix-Marseille Université, 13397 Marseille Cedex 20 (France); Damamme, G. [CEA, DAM, GRAMAT, 46500 Gramat (France); Kallel, A. [LaMaCoP, Université de Sfax, BP 1171, 3000 Sfax (Tunisia)

2016-01-15

Graphical abstract: - Highlights: • Positive charging of high purity amorphous SiO{sub 2} achieved by electron irradiation in a specially equipped scanning electron microscope. • Quantity of detrapped holes evaluated via measurements of induced and secondary electron currents. • Study of isothermal detrapping for different temperatures (300–663 K). • Analysis of the hole detrapping via a first order kinetics. • Evaluation of the hole detrapping parameters (activation energy and frequency factor). - Abstract: Isothermal detrapping of holes after electron irradiation (using a SEM) in high purity amorphous SiO{sub 2} is evaluated at different temperatures (in the range 300–663 K) by means of the induced and secondary current measurements. In order to single out the hole detrapping, the specific charging conditions (1 keV defocused electron beam of low density) leading to positive charging are adopted. The thermal detrapping, which stems from a single trap, begins at 523 K and is completed at 663 K. After annealing in air at 973 K during 48 h, two detrapping stages are revealed: the former is connected with an additional shallow trap, while the latter requires temperatures above 663 K for a complete detrapping. The first order kinetics describes reasonably well the detrapping process. The frequency factors (near 10{sup 10} s{sup −1}) and the activation energies (about 1.6 eV) deduced from this analysis could be assigned, respectively, to the relaxation connected to detrapping and to the trap energy level of the charged oxygen vacancy.

Nature of metastable amorphous-to-crystalline reversible phase transformations in GaSb

Energy Technology Data Exchange (ETDEWEB)

Kalkan, B. [Advanced Light Source, Lawrence Berkeley Laboratory, Berkeley, California 20015 (United States); Edwards, T. G.; Sen, S. [Department of Chemical Engineering and Materials Science, University of California, Davis, California 95616 (United States); Raoux, S. [IBM T. J. Watson Research Center, Yorktown Heights, New York 10598 (United States)

2013-08-28

The structural, thermodynamic, and kinetic aspects of the transformations between the metastable amorphous and crystalline phases of GaSb are investigated as a function of pressure at ambient temperature using synchrotron x-ray diffraction experiments in a diamond anvil cell. The results are consistent with the hypothesis that the pressure induced crystallization of amorphous GaSb into the β-Sn crystal structure near ∼5 GPa is possibly a manifestation of an underlying polyamorphic phase transition between a semiconducting, low density and a metallic, high density amorphous (LDA and HDA, respectively) phases. In this scenario, the large differences in the thermal crystallization kinetics between amorphous GaSb deposited in thin film form by sputtering and that prepared by laser melt quenching may be related to the relative location of the glass transition temperature of the latter in the pressure-temperature (P-T) space with respect to the location of the critical point that terminate the LDA ↔ HDA transition. The amorphous →β-Sn phase transition is found to be hysteretically reversible as the β-Sn phase undergoes decompressive amorphization near ∼2 GPa due to the lattice instabilities that give rise to density fluctuations in the crystal upon decompression.

Nature of metastable amorphous-to-crystalline reversible phase transformations in GaSb

Science.gov (United States)

Kalkan, B.; Edwards, T. G.; Raoux, S.; Sen, S.

2013-08-01

The structural, thermodynamic, and kinetic aspects of the transformations between the metastable amorphous and crystalline phases of GaSb are investigated as a function of pressure at ambient temperature using synchrotron x-ray diffraction experiments in a diamond anvil cell. The results are consistent with the hypothesis that the pressure induced crystallization of amorphous GaSb into the β-Sn crystal structure near ˜5 GPa is possibly a manifestation of an underlying polyamorphic phase transition between a semiconducting, low density and a metallic, high density amorphous (LDA and HDA, respectively) phases. In this scenario, the large differences in the thermal crystallization kinetics between amorphous GaSb deposited in thin film form by sputtering and that prepared by laser melt quenching may be related to the relative location of the glass transition temperature of the latter in the pressure-temperature (P-T) space with respect to the location of the critical point that terminate the LDA ↔ HDA transition. The amorphous → β-Sn phase transition is found to be hysteretically reversible as the β-Sn phase undergoes decompressive amorphization near ˜2 GPa due to the lattice instabilities that give rise to density fluctuations in the crystal upon decompression.

Nature of metastable amorphous-to-crystalline reversible phase transformations in GaSb

International Nuclear Information System (INIS)

Kalkan, B.; Edwards, T. G.; Sen, S.; Raoux, S.

2013-01-01

The structural, thermodynamic, and kinetic aspects of the transformations between the metastable amorphous and crystalline phases of GaSb are investigated as a function of pressure at ambient temperature using synchrotron x-ray diffraction experiments in a diamond anvil cell. The results are consistent with the hypothesis that the pressure induced crystallization of amorphous GaSb into the β-Sn crystal structure near ∼5 GPa is possibly a manifestation of an underlying polyamorphic phase transition between a semiconducting, low density and a metallic, high density amorphous (LDA and HDA, respectively) phases. In this scenario, the large differences in the thermal crystallization kinetics between amorphous GaSb deposited in thin film form by sputtering and that prepared by laser melt quenching may be related to the relative location of the glass transition temperature of the latter in the pressure-temperature (P-T) space with respect to the location of the critical point that terminate the LDA ↔ HDA transition. The amorphous →β-Sn phase transition is found to be hysteretically reversible as the β-Sn phase undergoes decompressive amorphization near ∼2 GPa due to the lattice instabilities that give rise to density fluctuations in the crystal upon decompression

The effect of empirical potential functions on modeling of amorphous carbon using molecular dynamics method

International Nuclear Information System (INIS)

Li, Longqiu; Xu, Ming; Song, Wenping; Ovcharenko, Andrey; Zhang, Guangyu; Jia, Ding

2013-01-01

Empirical potentials have a strong effect on the hybridization and structure of amorphous carbon and are of great importance in molecular dynamics (MD) simulations. In this work, amorphous carbon at densities ranging from 2.0 to 3.2 g/cm 3 was modeled by a liquid quenching method using Tersoff, 2nd REBO, and ReaxFF empirical potentials. The hybridization, structure and radial distribution function G(r) of carbon atoms were analyzed as a function of the three potentials mentioned above. The ReaxFF potential is capable to model the change of the structure of amorphous carbon and MD results are in a good agreement with experimental results and density function theory (DFT) at low density of 2.6 g/cm 3 and below. The 2nd REBO potential can be used when amorphous carbon has a very low density of 2.4 g/cm 3 and below. Considering the computational efficiency, the Tersoff potential is recommended to model amorphous carbon at a high density of 2.6 g/cm 3 and above. In addition, the influence of the quenching time on the hybridization content obtained with the three potentials is discussed.

Isothermal structural relaxation of Fe40Ni40B20 metallic glass in the relaxation times spectrum model

NARCIS (Netherlands)

Csach, K; Haruyama, O; Kasardova, A; Ocelik, Vaclav

1997-01-01

The structural relaxation of amorphous as-quenched Fe40Ni40B20 sample was investigated during isothermal annealing at temperatures close to 400 degrees C by: (i) the residual electrical resistance measured at liquid N-2 temperature; (ii) the in-situ electrical resistance; and (iii) the length

Influence of relaxation processes on the evaluation of the metastable defect density in Cu(In,Ga)Se{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Maciaszek, M.; Zabierowski, P. [Faculty of Physics, Warsaw University of Technology, Koszykowa 75, Warszawa 00 662 (Poland)

2016-06-07

In this contribution, we investigated by means of numerical simulations the influence of relaxation processes related to metastable defects on electrical characteristics of Cu(In,Ga)Se{sub 2}. In particular, we analyzed the relaxation of a metastable state induced by illumination at a fixed temperature as well as the dependence of the hole concentration on the temperature during cooling. The knowledge of these two relaxation processes is crucial in the evaluation of the hole concentration in the relaxed state and after light soaking. We have shown that the distribution of the metastable defects can be considered frozen below 200 K. The hole capture cross section was estimated as ∼3 × 10{sup −15} cm{sup 2}. It was shown that the usually used cooling rates may lead to relevant changes of the hole concentration. We calculated the lower limit of the hole concentration after cooling, and we presented how it depends on densities of shallow acceptors and metastable defects. Moreover, we proposed a method which allows for the evaluation of shallow acceptor and metastable defect densities from two capacitance-voltage profiles measured in the relaxed and light soaking states. Finally, we indicated experimental conditions in which the influence of relaxation processes on the accuracy of this method is the smallest.

Molecular-dynamics simulations of thin polyisoprene films confined between amorphous silica substrates

International Nuclear Information System (INIS)

Guseva, D. V.; Komarov, P. V.; Lyulin, Alexey V.

2014-01-01

Constant temperature–constant pressure (NpT) molecular-dynamics computer simulations have been carried out for the united-atom model of a non-crosslinked (1,4) cis-polyisoprene (PI) melt confined between two amorphous, fully coordinated silica surfaces. The Lennard-Jones 12-6 potential was implemented to describe the polymer–silica interactions. The thickness H of the produced PI–silica film has been varied in a wide range, 1 g g is the individual PI chain radius of gyration measured under the imposed confinement. After a thorough equilibration, the PI film stratified structure and polymer segmental dynamics have been studied. The chain structure in the middle of the films resembles that in a corresponding bulk, but the polymer-density profile shows a pronounced ordering of the polymer segments in the vicinity of silica surfaces; this ordering disappears toward the film middles. Tremendous slowing down of the polymer segmental dynamics has been observed in the film surface layers, with the segmental relaxation more than 150 times slower as compared to that in a PI bulk. This effect increases with decreasing the polymer-film thickness. The segmental relaxation in the PI film middles shows additional relaxation process which is absent in a PI bulk. Even though there are fast relaxation processes in the film middle, its overall relaxation is slower as compared to that in a bulk sample. The interpretation of the results in terms of polymer glassy bridges has been discussed

A study of the diffusion mechanisms in amorphous metallic alloys: diffusion and diffusion under high pressure in an amorphous NiZr alloy

International Nuclear Information System (INIS)

Grandjean, A.

1996-01-01

The aim of this work is a better understanding of the diffusion mechanism in amorphous metallic alloys. Then interdiffusion and hafnium diffusion in amorphous NiZr alloy have been studied. Samples used are made by sputtering co-deposition under vacuum and are well relaxed before the diffusion measurements. The time evolution of resistivity during annealing due to the decay of a composition modulated film has been measured and from this change in resistivity interdiffusion coefficients have been determined. Dependence of Hf diffusion on temperature and pressure has been studied using (SIMS). In this two cases, the diffusion process obeys an Arrhenius law and gives an activation energy of 1.33 eV for interdiffusion, and 0.76 eV for Hf diffusion. An effect of pressure on Hf diffusion has been found leading to an activation volume of 8.5 angstrom 3 . Thanks to these results, two approaches of the diffusion mechanisms in these systems have been proposed. The first comes from a comparison with the diffusion mechanisms in crystalline metals, that is to say by point defects. The second is an hypothesis of collective motions in these non crystalline alloys. (author)

High-Gain Avalanche Rushing amorphous Photoconductor (HARP) detector

Energy Technology Data Exchange (ETDEWEB)

Tanioka, K. [NHK Science and Technical Research Laboratories, 1-10-11 Kinuta, Setagaya-ku, Tokyo 157-8510 (Japan)], E-mail: tanioka.k-jg@nhk.or.jp

2009-09-01

We have been studying a very sensitive image sensor since the early 1980s. In 1985, the author found for the first time that an experimental pickup tube with an amorphous selenium photoconductive target exhibits high sensitivity with excellent picture quality because of a continuous and stable avalanche multiplication phenomenon. We named the pickup tube with an amorphous photoconductive layer operating in the avalanche-mode 'HARP': High-gain Avalanche Rushing amorphous Photoconductor. A color camera equipped with the HARP pickup tubes has a maximum sensitivity of 11 lx at F8. This means that the HARP camera is about 100 times as sensitive as that of CCD camera for broadcasting. This ultrahigh-sensitivity HARP pickup tube is a powerful tool for reporting breaking news at night and other low-light conditions, the production of scientific programs, and numerous other applications, including medical diagnoses, biotech research, and nighttime surveillance. In addition, since the HARP target can convert X-rays into electrons directly, it should be possible to exploit this capability to produce X-ray imaging devices with unparalleled levels of resolution and sensitivity.

A possible mechanism of ultrafast amorphization in phase-change memory alloys: an ion slingshot from the crystalline to amorphous position

International Nuclear Information System (INIS)

Kolobov, A V; Mishchenko, A S; Fons, P; Yakubenya, S M; Tominaga, J

2007-01-01

We propose that the driving force of the ultrafast crystalline-to-amorphous transition in phase-change memory alloys is caused by strained bonds existing in the (metastable) crystalline phase. For the prototypical example of Ge 2 Sb 2 Te 5 , we demonstrate that upon breaking of the longer Ge-Te bond by photoexcitation, a Ge ion is shot from an octahedral crystalline to a tetrahedral amorphous position by the uncompensated force of strained short bonds. Subsequent lattice relaxation stabilizes the tetrahedral surroundings of the Ge atoms and ensures the long-term stability of the optically induced phase

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.

Amorphous silicon as high index photonic material

Science.gov (United States)

Lipka, T.; Harke, A.; Horn, O.; Amthor, J.; Müller, J.

2009-05-01

Silicon-on-Insulator (SOI) photonics has become an attractive research topic within the area of integrated optics. This paper aims to fabricate SOI-structures for optical communication applications with lower costs compared to standard fabrication processes as well as to provide a higher flexibility with respect to waveguide and substrate material choice. Amorphous silicon is deposited on thermal oxidized silicon wafers with plasma-enhanced chemical vapor deposition (PECVD). The material is optimized in terms of optical light transmission and refractive index. Different a-Si:H waveguides with low propagation losses are presented. The waveguides were processed with CMOS-compatible fabrication technologies and standard DUV-lithography enabling high volume production. To overcome the large mode-field diameter mismatch between incoupling fiber and sub-μm waveguides three dimensional, amorphous silicon tapers were fabricated with a KOH etched shadow mask for patterning. Using ellipsometric and Raman spectroscopic measurements the material properties as refractive index, layer thickness, crystallinity and material composition were analyzed. Rapid thermal annealing (RTA) experiments of amorphous thin films and rib waveguides were performed aiming to tune the refractive index of the deposited a-Si:H waveguide core layer after deposition.

Large-deformation and high-strength amorphous porous carbon nanospheres

Science.gov (United States)

Yang, Weizhu; Mao, Shimin; Yang, Jia; Shang, Tao; Song, Hongguang; Mabon, James; Swiech, Wacek; Vance, John R.; Yue, Zhufeng; Dillon, Shen J.; Xu, Hangxun; Xu, Baoxing

2016-04-01

Carbon is one of the most important materials extensively used in industry and our daily life. Crystalline carbon materials such as carbon nanotubes and graphene possess ultrahigh strength and toughness. In contrast, amorphous carbon is known to be very brittle and can sustain little compressive deformation. Inspired by biological shells and honeycomb-like cellular structures in nature, we introduce a class of hybrid structural designs and demonstrate that amorphous porous carbon nanospheres with a thin outer shell can simultaneously achieve high strength and sustain large deformation. The amorphous carbon nanospheres were synthesized via a low-cost, scalable and structure-controllable ultrasonic spray pyrolysis approach using energetic carbon precursors. In situ compression experiments on individual nanospheres show that the amorphous carbon nanospheres with an optimized structure can sustain beyond 50% compressive strain. Both experiments and finite element analyses reveal that the buckling deformation of the outer spherical shell dominates the improvement of strength while the collapse of inner nanoscale pores driven by twisting, rotation, buckling and bending of pore walls contributes to the large deformation.

Development of large area, high efficiency amorphous silicon solar cell

Energy Technology Data Exchange (ETDEWEB)

Yoon, K.S.; Kim, S.; Kim, D.W. [Yu Kong Taedok Institute of Technology (Korea, Republic of)

1996-02-01

The objective of the research is to develop the mass-production technologies of high efficiency amorphous silicon solar cells in order to reduce the costs of solar cells and dissemination of solar cells. Amorphous silicon solar cell is the most promising option of thin film solar cells which are relatively easy to reduce the costs. The final goal of the research is to develop amorphous silicon solar cells having the efficiency of 10%, the ratio of light-induced degradation 15% in the area of 1200 cm{sup 2} and test the cells in the form of 2 Kw grid-connected photovoltaic system. (author) 35 refs., 8 tabs., 67 figs.

Transient photoresponse in amorphous In-Ga-Zn-O thin films under stretched exponential analysis

Science.gov (United States)

Luo, Jiajun; Adler, Alexander U.; Mason, Thomas O.; Bruce Buchholz, D.; Chang, R. P. H.; Grayson, M.

2013-04-01

We investigated transient photoresponse and Hall effect in amorphous In-Ga-Zn-O thin films and observed a stretched exponential response which allows characterization of the activation energy spectrum with only three fit parameters. Measurements of as-grown films and 350 K annealed films were conducted at room temperature by recording conductivity, carrier density, and mobility over day-long time scales, both under illumination and in the dark. Hall measurements verify approximately constant mobility, even as the photoinduced carrier density changes by orders of magnitude. The transient photoconductivity data fit well to a stretched exponential during both illumination and dark relaxation, but with slower response in the dark. The inverse Laplace transforms of these stretched exponentials yield the density of activation energies responsible for transient photoconductivity. An empirical equation is introduced, which determines the linewidth of the activation energy band from the stretched exponential parameter β. Dry annealing at 350 K is observed to slow the transient photoresponse.

High-density and high-ρR fuel assembly for fast-ignition inertial confinement fusion

International Nuclear Information System (INIS)

Betti, R.; Zhou, C.

2005-01-01

Scaling relations to optimize implosion parameters for fast-ignition inertial confinement fusion are derived and used to design high-gain fast-ignition targets. A method to assemble thermonuclear fuel at high densities, high ρR, and with a small-size hot spot is presented. Massive cryogenic shells can be imploded with a low implosion velocity V I on a low adiabat α using the relaxation-pulse technique. While the low V I yields a small hot spot, the low α leads to large peak values of the density and areal density. It is shown that a 750 kJ laser can assemble fuel with V I ≅1.7x10 7 cm/s, α≅0.7, ρ≅400 g/cc, ρR≅3 g/cm 2 , and a hot-spot volume of less than 10% of the compressed core. If fully ignited, this fuel assembly can produce high gains of interest to inertial fusion energy applications

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)

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...

EXAFS study of the stability of amorphous TbFe thin films

International Nuclear Information System (INIS)

Samant, M.G.; Marinero, E.E.; Robinson, C.; Cargill, G.S.

1989-01-01

This paper discusses the measurement of the local atomic structure of Fe in Au doped Tb-Fe thin film alloys by the use of EXAFS. The as deposited sample shows structural features which are essentially identical to those of the undoped films. Au additions stabilizes the amorphous structure against recrystallization, however, the loss of magnetic anisotropy under thermal annealing is not reduced. This demonstrates that magnetic relaxation in these alloys does not involve crystallization of the amorphous structure

Non-localized deformation in Cu−Zr multi-layer amorphous films under tension

Energy Technology Data Exchange (ETDEWEB)

Zhong, C. [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Zhang, H. [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Department of Chemical and Materials Engineering, University of Alberta, Edmonton, Alberta T6G 1H9 (Canada); Cao, Q.P.; Wang, X.D. [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Zhang, D.X. [State Key Laboratory of Modern Optical Instrumentation, Zhejiang University, Hangzhou 310027 (China); Hu, J.W. [Hangzhou Workers Amateur University, Hangzhou 310027 (China); Liaw, P.K. [Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN 37996 (United States); Jiang, J.Z., E-mail: jiangjz@zju.edu.cn [International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)

2016-09-05

In metallic glasses (MGs), plastic deformation at room temperature is dominated by highly localized shear bands. Here we report the non-localized deformation under tension in Cu−Zr multi-layer MGs with a pure amorphous structure using large-scale atomistic simulations. It is demonstrated that amorphous samples with high layer numbers, composed of Cu{sub 64}Zr{sub 36} and Cu{sub 40}Zr{sub 60}, or Cu{sub 64}Zr{sub 36} and Cu{sub 50}Zr{sub 50}, present obviously non-localized deformation behavior. We reveal that the deformation behavior of the multi-layer-structured MG films is related but not determined by the deformation behavior of the composed individual layers. The criterion for the deformation mode change for MGs with a pure amorphous structure, in generally, was suggested, i.e., the competition between the elastic-energy density stored and the energy density needed for forming one mature shear band in MGs. Our results provide a promising strategy for designing tensile ductile MGs with a pure amorphous structure at room temperature. - Highlights: • Tensile deformation behaviors in multi-layer MG films. • Films with high layer numbers confirmed with a non-localized deformation behavior. • The deformation mode is reasonably controlled by whether U{sub p} larger than U{sub SB.}.

Amorphous and nanocrystalline phase formation in highly-driven Al-based binary alloys

International Nuclear Information System (INIS)

Kalay, Yunus Eren

2008-01-01

deviation indicates an adiabatic type solidification path where heat of fusion is reabsorbed. It is interesting that this particle size range is also consistent with the appearance of a microcellular growth. While no glass formation is observed within this system, the smallest size powders appear to consist of a mixture of nanocrystalline Si and Al. Al-Sm alloys have been investigated within a composition range of 34 to 42 wt% Sm. Gas atomized powders of Al-Sm are investigated to explore the morphological and structural hierarchy that correlates with different degrees of departure from full equilibrium conditions. The resultant powders show a variety of structural selection with respect to amount of undercooling, with an amorphous structure appearing at the highest cooling rates. Because of the chaotic nature of gas atomization, Cu-block melt-spinning is used to produce a homogeneous amorphous structure. The as-quenched structure within Al-34 to 42 wt% Sm consists of nanocrystalline fcc-Al (on the order of 5 nm) embedded in an amorphous matrix. The nucleation density of fcc-Al after initial crystallization is on the order of 10 22 -10 23 m -3 , which is 10 5 -10 6 orders of magnitude higher than what classical nucleation theory predicts. Detailed analysis of liquid and as-quenched structures using high energy synchrotron X-ray diffraction, high energy transmission electron microscopy, and atom probe tomography techniques revealed an Al-Sm network similar in appearance to a medium range order (MRO) structure. A model whereby these MRO clusters promote the observed high nucleation density of fcc-Al nanocrystals is proposed. The devitrification path was identified using high temperature, in-situ, high energy synchrotron X-ray diffraction techniques and the crystallization kinetics were described using an analytical Johnson-Mehl-Avrami (JMA) approach.

Amorphous germanium as an electron or hole blocking contact on high-purity germanium detectors

International Nuclear Information System (INIS)

Hansen, W.L.; Haller, E.E.

1976-10-01

Experiments were performed in an attempt to make thin n + contacts on high-purity germanium by the solid phase/sup 1)/ epitaxial regrowth of arsenic doped amorphous germanium. After cleaning the crystal surface with argon sputtering and trying many combinations of layers, it was not found possible to induce recrystallization below 400 0 C. However, it was found that simple thermally evaporated amorphous Ge made fairly good electron or hole blocking contacts. Excellent spectrometers have been made with amorphous Ge replacing the n + contact. As presently produced, the amorphous Ge contact diodes show a large variation in high-voltage leakage current

Electronic transport in amorphous phase-change materials

International Nuclear Information System (INIS)

Luckas, Jennifer Maria

2012-01-01

the detected density of deep mid gap states decreases. In contrast to both defect levels the conduction and valence band tail remained unaffected during resistance drift of a-GeTe thin films. These findings of the thesis clearly demonstrate the impact of band gap opening and trap kinetics on resistance drift in a-GeTe. Furthermore, drift phenomena observed in a-GeTe are compared to drift phenomena of covalent glasses known from literature. This comparison reveals wide differences between drift phenomena in chalcogenide and covalent glasses. Furthermore this thesis discusses the stoichiometric dependence of resistance drift phenomena in a-GeSnTe phase-change alloys. A systematic decrease in the amorphous state resistivity, activation energy for electric conduction, optical band gap and defect density is observed with increasing tin content resulting in a low resistance drift for tin rich compositions such as a-Ge 2 Sn 2 Te 4 . This study on GeSnTe systems demonstrates, that phase change alloys showing a more stable amorphous state resistivity are characterized by a low activation energy of electronic conduction. This finding found in GeSnTe alloys holds also true for GeSbTe and AgInSbTe systems. On the example of a-Ge 2 Sn 2 Te 4 and a-GeTe - the latter exhibiting a strong resistance drift - the evolution of the amorphous state resistivity is shown to be closely linked to the relaxation of internal mechanical stresses resulting in an improving structural ordering of the amorphous phase.

Electronic transport in amorphous phase-change materials

Energy Technology Data Exchange (ETDEWEB)

Luckas, Jennifer Maria

2012-09-14

in an increasing concentration of shallow defect states, whereas the detected density of deep mid gap states decreases. In contrast to both defect levels the conduction and valence band tail remained unaffected during resistance drift of a-GeTe thin films. These findings of the thesis clearly demonstrate the impact of band gap opening and trap kinetics on resistance drift in a-GeTe. Furthermore, drift phenomena observed in a-GeTe are compared to drift phenomena of covalent glasses known from literature. This comparison reveals wide differences between drift phenomena in chalcogenide and covalent glasses. Furthermore this thesis discusses the stoichiometric dependence of resistance drift phenomena in a-GeSnTe phase-change alloys. A systematic decrease in the amorphous state resistivity, activation energy for electric conduction, optical band gap and defect density is observed with increasing tin content resulting in a low resistance drift for tin rich compositions such as a-Ge{sub 2}Sn{sub 2}Te{sub 4}. This study on GeSnTe systems demonstrates, that phase change alloys showing a more stable amorphous state resistivity are characterized by a low activation energy of electronic conduction. This finding found in GeSnTe alloys holds also true for GeSbTe and AgInSbTe systems. On the example of a-Ge{sub 2}Sn{sub 2}Te{sub 4} and a-GeTe - the latter exhibiting a strong resistance drift - the evolution of the amorphous state resistivity is shown to be closely linked to the relaxation of internal mechanical stresses resulting in an improving structural ordering of the amorphous phase.

Amorphous structure evolution of high power diode laser cladded Fe–Co–B–Si–Nb coatings

International Nuclear Information System (INIS)

Zhu Yanyan; Li Zhuguo; Huang Jian; Li Min; Li Ruifeng; Wu Yixiong

2012-01-01

Highlights: ► Fabricated amorphous composited coating by high power diode laser cladding with single track. ► Lower dilution and higher scanning speed are desired to obtain higher amorphous phase fraction. ► White spots phase with high content of Nb embedded in the amorphous matrix. - Abstract: Fe–Co–B–Si–Nb coatings were fabricated on the surface of low carbon steel using high power diode laser cladding of [(Fe 0.5 Co 0.5 ) 0.75 B 0.2 Si 0.05 ] 95.7 Nb 4.3 amorphous powders at three different scanning speeds of 6, 17 and 50 m/s. At each scanning speed, laser power was optimized to obtain low dilution ratio. Scanning electron microscopy, X-ray diffraction, transmission electron microscopy with energy dispersive spectrometer and electron probe micro analysis were carried out to characterize the microstructure and chemical composition of the cladded coatings. Differential scanning calorimetry was also carried out to investigate the fraction of the amorphous phase. The results showed that dilution ratio and scanning speed were the two main factors for fabricating Fe–Co–B–Si–Nb amorphous coating by high power diode laser cladding. Low dilution ratio was crucial for the formation of amorphous phase. When the dilution ratio was low, the fraction of amorphous phase in the cladded coatings increased upon increasing the scanning speed.

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.

Low-frequency magnetization processes in chemically etched Co-based amorphous ribbons

International Nuclear Information System (INIS)

Betancourt, I.; Martinez, L.A.; Valenzuela, R.

2005-01-01

In this report we present a study of the magnetization processes for Co-based amorphous ribbons at low frequencies (10 Hz-13 MHz) as a function of decreasing thicknesses attained by chemical etching. Reversible domain-wall bulging, characterized by initial permeability and relaxation frequency, was monitored by means of inductance measurements. The real part of inductance (proportional to initial permeability) exhibited a decreasing trend with diminishing ribbon thickness, together with an increasing tendency for the relaxation frequency. For high amplitude of the ac field (leading to domain-wall unpinning), reduced ribbon thickness showed a deleterious-enhancement effect on irreversible domain-wall displacement, which was observed for both real and imaginary inductance spectroscopic plots. Results are interpreted in terms of reduced domain-wall pinning distances resulting from thinner alloy samples

Paramagnetic defects in hydrogenated amorphous carbon powders

International Nuclear Information System (INIS)

Keeble, D J; Robb, K M; Smith, G M; Mkami, H El; Rodil, S E; Robertson, J

2003-01-01

Hydrogenated amorphous carbon materials typically contain high concentrations of paramagnetic defects, the density of which can be quantified by electron paramagnetic resonance (EPR). In this work EPR measurements near 9.5, 94, and 189 GHz have been performed on polymeric and diamond-like hydrogenated amorphous carbon (a-C:H) powder samples. A similar single resonance line was observed at all frequencies for the two forms of a-C:H studied. No contributions to the spectrum from centres with resolved anisotropic g-values as reported earlier were detected. An increase in linewidth with microwave frequency was observed. Possible contributions to this frequency dependence are discussed

Spin Relaxation in GaAs: Importance of Electron-Electron Interactions

Directory of Open Access Journals (Sweden)

Gionni Marchetti

2014-04-01

Full Text Available We study spin relaxation in n-type bulk GaAs, due to the Dyakonov–Perel mechanism, using ensemble Monte Carlo methods. Our results confirm that spin relaxation time increases with the electronic density in the regime of moderate electronic concentrations and high temperature. We show that the electron-electron scattering in the non-degenerate regime significantly slows down spin relaxation. This result supports predictions by Glazov and Ivchenko. Most importantly, our findings highlight the importance of many-body interactions for spin dynamics: we show that only by properly taking into account electron-electron interactions within the simulations, results for the spin relaxation time—with respect to both electron density and temperature—will reach good quantitative agreement with corresponding experimental data. Our calculations contain no fitting parameters.

Relaxation-phenomena in LiAl/FeS-cells

Science.gov (United States)

Borger, W.; Kappus, W.; Panesar, H. S.

A theoretical model of the capacity of strongly relaxing electrochemical systems is applied to the LiAl/FeS system. Relaxation phenomena in LiAl and FeS electrodes can be described by this model. Experimental relaxation data indicate that lithium transport through the alpha-LiAl layer to the particle surface is the capacity limiting process at high discharge current density in the LiAl electrode in LiCl-KCl and LiF-LiCl-LiBr mixtures. Strong relaxation is observed in the FeS electrode with LiCl-KCl electrolyte caused by lithium concentration gradients and precipitation of KCl in the pores.

Chronological change of electrical resistance in GeCu2Te3 amorphous film induced by surface oxidation

International Nuclear Information System (INIS)

Saito, Yuta; Shindo, Satoshi; Sutou, Yuji; Koike, Junichi

2014-01-01

Unusual chronological electrical resistance change behavior was investigated for amorphous GeCu 2 Te 3 phase change material. More than a 1 order decrease of electrical resistance was observed in the air even at room temperature. The resistance of the amorphous film gradually increased with increasing temperature and then showed a drop upon crystallization. Such unusual behavior was attributed to the oxidation of the amorphous GeCu 2 Te 3 film. From the compositional depth profile measurement, the GeCu 2 Te 3 film without any capping layer was oxidized in air at room temperature and the formed oxide was mainly composed of germanium oxide. Consequently, a highly-conductive Cu-rich layer was formed in the vicinity of the surface of the film, which reduced the total resistance of the film. The present results could provide insight into the chronological change of electrical resistance in amorphous chalcogenide materials, indicating that not only relaxation of the amorphous, but also a large atomic diffusion contributes to the chronological resistance change. (paper)

Nanoplasmonically Engineered Interfaces on Amorphous TiO2 for Highly Efficient Photocatalysis in Hydrogen Evolution.

Science.gov (United States)

Liang, Huijun; Meng, Qiuxia; Wang, Xiaobing; Zhang, Hucheng; Wang, Jianji

2018-04-25

The nanoplasmonic metal-driven photocatalytic activity depends heavily on the spacing between metal nanoparticles (NPs) and semiconductors, and this work shows that ethylene glycol (EG) is an ideal candidate for interface spacer. Controlling the synthetic systems at pH 3, the composite of Ag NPs with EG-stabilized amorphous TiO 2 (Ag/TiO 2 -3) was synthesized by the facile light-induced reduction. It is verified that EG spacers can set up suitable geometric arrangement in the composite: the twin hydroxyls act as stabilizers to bind Ag NPs and TiO 2 together and the nonconductive alkyl chains consisting only of two CH 2 are able to separate the two building blocks completely and also provide the shortest channels for an efficient transfer of radiation energies to reach TiO 2 . Employed as photocatalysts in hydrogen evolution under visible light, amorphous TiO 2 hardly exhibits the catalytic activity due to high defect density, whereas Ag/TiO 2 -3 represents a remarkably high catalytic efficiency. The enhancement mechanism of the reaction rate is proposed by the analysis of the compositional, structural, and optical properties from a series of Ag/TiO 2 composites.

Pseudopotential multi-relaxation-time lattice Boltzmann model for cavitation bubble collapse with high density ratio

International Nuclear Information System (INIS)

Shan Ming-Lei; Zhu Chang-Ping; Yao Cheng; Yin Cheng; Jiang Xiao-Yan

2016-01-01

The dynamics of the cavitation bubble collapse is a fundamental issue for the bubble collapse application and prevention. In the present work, the modified forcing scheme for the pseudopotential multi-relaxation-time lattice Boltzmann model developed by Li Q et al. [Li Q, Luo K H and Li X J 2013 Phys. Rev. E 87 053301] is adopted to develop a cavitation bubble collapse model. In the respects of coexistence curves and Laplace law verification, the improved pseudopotential multi-relaxation-time lattice Boltzmann model is investigated. It is found that the thermodynamic consistency and surface tension are independent of kinematic viscosity. By homogeneous and heterogeneous cavitation simulation, the ability of the present model to describe the cavitation bubble development as well as the cavitation inception is verified. The bubble collapse between two parallel walls is simulated. The dynamic process of a collapsing bubble is consistent with the results from experiments and simulations by other numerical methods. It is demonstrated that the present pseudopotential multi-relaxation-time lattice Boltzmann model is applicable and efficient, and the lattice Boltzmann method is an alternative tool for collapsing bubble modeling. (paper)

Molecular Mobility of an Amorphous Chiral Pharmaceutical Compound: Impact of Chirality and Chemical Purity.

Science.gov (United States)

Viel, Quentin; Delbreilh, Laurent; Coquerel, Gérard; Petit, Samuel; Dargent, Eric

2017-08-17

A dielectric relaxation spectroscopy (DRS) study was performed to investigate the molecular mobility of amorphous chiral diprophylline (DPL). For this purpose, both racemic DPL and a single enantiomer of DPL were considered. After fast cooling from the melt at very low temperature (-140 °C), progressive heating below and above the glass transition (T g ≈ 37 °C) induces two secondary relaxations (γ- and δ-) and primary relaxations (α-) for both enantiomeric compositions. After chemical purification of our samples by means of cooling recrystallization, no γ-process could be detected by DRS. Hence, it was highlighted that the molecular mobility in the glassy state is influenced by the presence of theophylline (TPH), the main impurity in DPL samples. We also proved that the dynamic behavior of a single enantiomer and the racemic mixture of the same purified compound are quasi-identical. This study demonstrates that the relative stability and the molecular mobility of chiral amorphous drugs are strongly sensitive to chemical purity.

Far-infrared reflection-absorption spectroscopy of amorphous and polycrystalline gallium arsenide films

International Nuclear Information System (INIS)

Gregory, J.R.

1992-01-01

We have reported far-infrared reflection absorption spectra (30-320CM -1 ) at 30 and 310K for nine films of non-stoichiometric GaAs. The FIRRAS measurements were performed using the grazing incidence FIR double-modulation spectroscopy technique first described by DaCosta and Coleman. The films were fabricated by molecular beam deposition on metallized substrates for two As/Ga molecular beam flux ratios. The films were characterized by depth profilometry, IRAS, XRD, and x-ray microprobe analysis. Film thicknesses ranged from 800 to 5800 angstrom and compositions were 45-50% As for a MB flux ratio of 0.29 and 60-70% As for a ratio of 1.12. FIRRAS measurements were made and characterizations performed for as-deposited films and for 5 hour anneals at 473, 573, 673 and 723 degrees C. Vibrational spectra of the crystallized films were interpreted in terms of the exact reflectivity of a thin dielectric film on a conducting substrate, using a classical Lorentzian dielectric function for the response of the film. Resonances appearing in the open-quote forbidden close-quote region between the TO and LO frequencies were modelled with an effective medium approximation and are interpreted as arising from small-scale surface roughness. The behavior of the amorphous film spectra were examined within two models. The effective force constant model describes the variation of the reflection-absorption maxima with measured crystallite size in terms of the effective vibration frequency of 1-D atomic chains having force constants distributed according to the parameters of the crystalline-to-amorphous relaxation length and the crystalline to amorphous force constant ratio. The dielectric function continuum model uses the relaxation of the crystal momentum selection rule to calculate the reflection-absorption spectrum based on a dielectric function in which the oscillator strength is the normalized product of a constant dipole strength and the smoothed vibrational density of states

Short-pulse-laser-induced optical damage and fracto-emission of amorphous, diamond-like carbon films

Science.gov (United States)

Sokolowski-Tinten, Klaus; Ziegler, Wolfgang; von der Linde, Dietrich; Siegal, Michael P.; Overmyer, D. L.

2005-03-01

Short-pulse-laser-induced damage and ablation of thin films of amorphous, diamond-like carbon have been investigated. Material removal and damage are caused by fracture of the film and ejection of large fragments. The fragments exhibit a delayed, intense and broadband emission of microsecond duration. Both fracture and emission are attributed to the laser-initiated relaxation of the high internal stresses of the pulse laser deposition-grown films.

A study of the diffusion mechanisms in amorphous metallic alloys: diffusion and diffusion under high pressure in an amorphous NiZr alloy; Contribution a l`etude des mecanismes de transport dans les materiaux metalliques amorphes: diffusion et diffusion sous pression dans NiZr amorphe

Energy Technology Data Exchange (ETDEWEB)

Grandjean, A.

1996-03-01

The aim of this work is a better understanding of the diffusion mechanism in amorphous metallic alloys. Then interdiffusion and hafnium diffusion in amorphous NiZr alloy have been studied. Samples used are made by sputtering co-deposition under vacuum and are well relaxed before the diffusion measurements. The time evolution of resistivity during annealing due to the decay of a composition modulated film has been measured and from this change in resistivity interdiffusion coefficients have been determined. Dependence of Hf diffusion on temperature and pressure has been studied using (SIMS). In this two cases, the diffusion process obeys an Arrhenius law and gives an activation energy of 1.33 eV for interdiffusion, and 0.76 eV for Hf diffusion. An effect of pressure on Hf diffusion has been found leading to an activation volume of 8.5 angstrom{sup 3}. Thanks to these results, two approaches of the diffusion mechanisms in these systems have been proposed. The first comes from a comparison with the diffusion mechanisms in crystalline metals, that is to say by point defects. The second is an hypothesis of collective motions in these non crystalline alloys. (author).

Dependence of the saturated light-induced defect density on macroscopic properties of hydrogenated amorphous silicon

OpenAIRE

Park, H. R.; Liu, J. Z.; Roca i Cabarrocas, P.; Maruyama, A.; Isomura, M.; Wagner, S.; Abelson, J. R.; Finger, F.

2008-01-01

We report a study of the saturated light-induced defect density Ns,sat in 37 hydrogenated (and in part fluorinated) amorphous silicon [a-Si:H(F)] films grown in six different reactors under widely different conditions. Ns,sat was attained by exposing the films to light from a krypton ion laser (λ=647.1 nm). Ns,sat is determined by the constant photocurrent method and lies between 5×1016 and 2×1017 cm−3. Ns,sat drops with decreasing optical gap Eopt and hydrogen content cH, but is not correlat...

Annealing behavior of high permeability amorphous alloys

International Nuclear Information System (INIS)

Rabenberg, L.

1980-06-01

Effects of low temperature annealing on the magnetic properties of the amorphous alloy Co 71 4 Fe 4 6 Si 9 6 B 14 4 were investigated. Annealing this alloy below 400 0 C results in magnetic hardening; annealing above 400 0 C but below the crystallization temperature results in magnetic softening. Above the crystallization temperature the alloy hardens drastically and irreversibly. Conventional and high resolution transmission electron microscopy were used to show that the magnetic property changes at low temperatures occur while the alloy is truly amorphous. By imaging the magnetic microstructures, Lorentz electron microscopy has been able to detect the presence of microscopic inhomogeneities in this alloy. The low temperature annealing behavior of this alloy has been explained in terms of atomic pair ordering in the presence of the internal molecular field. Lorentz electron microscopy has been used to confirm this explanation

Density-dependent lines of one- and two-electron ions in diagnostics of laboratory plasma. I. The rates of collision relaxation of excited levels

Energy Technology Data Exchange (ETDEWEB)

Shevelko, V P; Skobelev, I Yu; Vinogradov, A V [Lebedev Physical Institute, Academy of Sciences of the USSR, Moscow, USSR

1977-01-01

Plasma devices with inertial plasma confinement such as laser produced plasmas, exploding wires, plasma focus, etc., which have been rapidly developed during recent years., appear to be very intensive sources of spectral line radiation in far UV and X-ray regions. Analysis of this radiation provides a good tool for plasma diagnostics with very high electron densities up to 10/sup 22/cm/sup -3/. In this work, consisting of two parts, the authors consider the mechanism of the formation of spectral lines in hot and dense plasma. The key point for density diagnostics is the fact that for some ion levels the rate of collisional relaxation has the same order of magnitude as the radiative decay. Thus the intensities of spectral lines arising from these levels show a strong dependence on electron density which makes diagnostics possible. In this paper, emphasis is laid on the calculation of rates of transition between close ion levels induced by electron or ion impact, which usually gives the main contribution to the collisional relaxation constants. The influence of plasma polarization effects on the collision frequency in a dense plasma is also considered.

Water’s second glass transition

Science.gov (United States)

Amann-Winkel, Katrin; Gainaru, Catalin; Handle, Philip H.; Seidl, Markus; Nelson, Helge; Böhmer, Roland

2013-01-01

The glassy states of water are of common interest as the majority of H2O in space is in the glassy state and especially because a proper description of this phenomenon is considered to be the key to our understanding why liquid water shows exceptional properties, different from all other liquids. The occurrence of water’s calorimetric glass transition of low-density amorphous ice at 136 K has been discussed controversially for many years because its calorimetric signature is very feeble. Here, we report that high-density amorphous ice at ambient pressure shows a distinct calorimetric glass transitions at 116 K and present evidence that this second glass transition involves liquid-like translational mobility of water molecules. This “double Tg scenario” is related to the coexistence of two liquid phases. The calorimetric signature of the second glass transition is much less feeble, with a heat capacity increase at Tg,2 about five times as large as at Tg,1. By using broadband-dielectric spectroscopy we resolve loss peaks yielding relaxation times near 100 s at 126 K for low-density amorphous ice and at 110 K for high-density amorphous ice as signatures of these two distinct glass transitions. Temperature-dependent dielectric data and heating-rate–dependent calorimetric data allow us to construct the relaxation map for the two distinct phases of water and to extract fragility indices m = 14 for the low-density and m = 20–25 for the high-density liquid. Thus, low-density liquid is classified as the strongest of all liquids known (“superstrong”), and also high-density liquid is classified as a strong liquid. PMID:24101518

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

Study on applicability of highly corrosion-resistant amorphous coating techniques to components of reprocessing plant

International Nuclear Information System (INIS)

Ebata, Makoto; Okuyama, Gen; Chiba, Shigeru; Matsunaga, Tsunebumi

1991-01-01

In view of the growing need for prolongation of lives of reprocessing plant installations, we recently investigated the applicability of highly corrosion-resistant amorphous coating techniques to such plant components as to be subjected to a badly corrosive environment created by high temperatures, boiling nitric acid (HNO 3 ), etc. As the result, giving a preference to the Ta-based amorphous alloys exhibiting high corrosion-resistance in HNO 3 solutions, we made specimens of stainless steel plates coated with the above amorphous alloys through the sputtering process thereof. To our satisfaction, these specimens successfully passed various HNO 3 corrosion tests as described later on. Ta-based amorphous films give cathodic protection to 310 Nb stainless steel plates, and that with extremely low corrosion rates of themselves as protecting agents. For these reasons, we are confident that there will be no practical problems at all, in case we adopt stainless steel plates partially coated with such amorphous alloys for use in a nitric-acid environment. In this paper, we explain the comparative tests for various amorphous alloys with different compositions, referring also to the thus-selected Ta-based amorphous alloy along with several kinds of corrosion tests specially arranged for the same alloy. (author)

PHARMACEUTICAL AMORPHOUS ORGANIC MATERIALS CHARACTERIZATION BY USING THE DIFFERENTIAL SCANNING CALORIMETRY AND DYNAMIC MECHANICAL ANALYSIS

Directory of Open Access Journals (Sweden)

Ion Dranca

2011-12-01

Full Text Available This research has been carried out in order to demonstrate the use of differential scanning calorimetry (DSC in detecting and measuring α- and β-relaxation processes in amorphous pharmaceutical systems. DSC has been employed to study amorphous samples of poly (vinylpyrrolidone (PVP, indomethacin (InM, and ursodeoxycholic acid (UDA that are annealed at temperature (Ta around 0.8 of their glass transition temperature (Tg. Dynamic mechanical analysis (DMA is used to measure β- relaxation in PVP. Yet, the DSC has been used to study the glassy indomethacin aged at 0 and -10 oC for periods of time up to 109 and 210 days respectively. The results demonstrate the emergence of a small melting peak of the α-polymorph after aging for 69 days at 0°C and for 147 days at -10°C (i.e., ~55°C below the glass transition temperature that provides evidence of nucleation occurring in the temperature region of the β-relaxation.

Amorphous silicon passivation for 23.3% laser processed back contact solar cells

Science.gov (United States)

Carstens, Kai; Dahlinger, Morris; Hoffmann, Erik; Zapf-Gottwick, Renate; Werner, Jürgen H.

2017-08-01

This paper presents amorphous silicon deposited at temperatures below 200 °C, leading to an excellent passivation layer for boron doped emitter and phosphorus doped back surface field areas in interdigitated back contact solar cells. A higher deposition temperature degrades the passivation of the boron emitter by an increased hydrogen effusion due to lower silicon hydrogen bond energy, proved by hydrogen effusion measurements. The high boron surface doping in crystalline silicon causes a band bending in the amorphous silicon. Under these conditions, at the interface, the intentionally undoped amorphous silicon becomes p-type conducting, with the consequence of an increased dangling bond defect density. For bulk amorphous silicon this effect is described by the defect pool model. We demonstrate, that the defect pool model is also applicable to the interface between amorphous and crystalline silicon. Our simulation shows the shift of the Fermi energy towards the valence band edge to be more pronounced for high temperature deposited amorphous silicon having a small bandgap. Application of optimized amorphous silicon as passivation layer for the boron doped emitter and phosphorus doped back surface field on the rear side of laser processed back contact solar cells, fabricated using four laser processing steps, yields an efficiency of 23.3%.

Unidirectional threshold switching in Ag/Si-based electrochemical metallization cells for high-density bipolar RRAM applications

Science.gov (United States)

Wang, Chao; Song, Bing; Li, Qingjiang; Zeng, Zhongming

2018-03-01

We herein present a novel unidirectional threshold selector for cross-point bipolar RRAM array. The proposed Ag/amorphous Si based threshold selector showed excellent threshold characteristics in positive field, such as high selectivity ( 105), steep slope (type RRAM. By integrating a bipolar RRAM device with the selector, experiments showed that the undesired sneak was significantly suppressed, indicating its potentiality for high-density integrated nonvolatile memory applications.

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

Perpendicular magnetic anisotropy of amorphous ferromagnetic CoSiB/[Pt,Au] multilayer

International Nuclear Information System (INIS)

Jeong, S.; Yim, H. I.

2012-01-01

Perpendicular magnetic anisotropy is being widely studied as a possible candidate for a high density spin-transfer torque magnetic random access memory. The key issues of a high-density spin-transfer torque magnetic random access memory are decreasing the switching current and the high thermal stability. In order to solve these problems, two approaches are suggested: One is the development a new amorphous ferromagnetic material as a pinned layer for a multilayer with a low saturated magnetization (M s ) value because of the interface roughness between the two layers. The other is a search for the most suitable materials with high perpendicular magnetic anisotropy in order to have high thermal stability. In this work, we present an amorphous ferromagnetic Co 75 Si 15 B 10 material and compare the magnetic properties of a [CoSiB (0.3, 0.4, 0.5 nm)/Pt (1.4 nm)] 5 multilayer and new combinations [CoSiB (0.3, 0.4, 0.5 nm)/Au (1.5 nm)] 5 .

Contribution to the study of the mechanism of crack in amorphous silica: study by the molecular dynamics of crack in amorphous silica

International Nuclear Information System (INIS)

Van Brutzel, L.

2000-01-01

The aim of this thesis was to understand the mechanism which occurs during the crack at the atomic scale in amorphous silica. The difficulties of the experimental observations at this length scale lead us to use numerical studies by molecular dynamics to access to the dynamical and the thermodynamical informations. We have carried out large simulations with 500000 atoms and studied the structure of the amorphous silica before to studying their behaviours under an imposed strain. The structure of this simulated amorphous silica settled in three length scales. In small length scale between 0 and 5 angstrom glass is composed of tetrahedra, this is close to the crystalline structure. In intermediate length scale between 3 and 10 angstrom tetrahedra are connected together and build rings of different sizes composed in majority between 5 and 7 tetrahedra. In bigger length scale between 15 and 60 angstrom, areas with high density of rings are surrounded by areas with low density of rings. These structural considerations play an important role in initiation and propagation of a crack. Indeed. in this length scale. crack propagates by growth and coalescence of some small cavities which appear in area with low density of rings behind the crack tip. The cavities dissipate the stress with carries away a delay to propagation of the crack. This phenomenons seems ductile and leads to non linear elastic behaviour near the crack tip. We have also shown that the addition of alkali in the amorphous silica changes the structure by creation of nano-porosities and leads to enhance the ductility during the crack propagation. (author)

Superconducting properties of amorphous Zr-Ge binary alloys

International Nuclear Information System (INIS)

Inoue, A.; Takahashi, Y.; Toyota, N.; Fukase, T.; Masumoto, T.

1982-01-01

A new type of refractory metal-metalloid amorphous alloys exhibiting superconductivity has been found in a binary Zr-Ge system by a modified melt-spinning technique. Specimens are in the form of continuous ribbons 1 to 2 mm wide and 0.02 to 0.03 mm thick. The germanium content in the amorphous alloys is limited to the range of 13 to 21 at%. These amorphous alloys are so ductile that no cracks are observed even after closely contacted bending test. Data are reported for various alloy compositions for the Vickers hardness and crystallization temperature, the tensile fracture strength, superconducting transition temperature Tsub(c), upper critical magnetic field, critical current density in the absence of an applied field, upper critical field gradient at Tsub(c) and the electrical resistivity at 4.2 K. The Ginzburg-Landau (GL) parameter and the GL coherence length were estimated to be 72 to 111 and about 7.9 nm, respectively, from these experimental values by using the Ginzburg-Landau-Abrikosov-Gorkov theory and hence it is concluded that the Zr-Ge amorphous alloys are extremely 'soft' type-II superconductor with high degree of dirtiness which possesses the Tsub(c) values higher than zirconium metal, in addition to high strength combined with good ductility. (author)

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

Mg amorphous alloys for biodegradable implants

International Nuclear Information System (INIS)

Danez, G.P.; Koga, G.Y.; Tonucci, S.; Bolfarini, C.; Kiminami, C.S.; Botta Filho, W.J.

2010-01-01

The use of implants made from amorphous alloys magnesium-based with additions of zinc and calcium are promising. Properties such as biocompatibility, low density, high mechanical strength, low modulus (as compared to alloys such as stainless steel and titanium), corrosion resistance and wear resistance make it attractive for use in implants. Moreover, the by-products of corrosion and wear are not toxic and may contribute to fixation. Aiming to understand the tendency of this amorphous ternary (Mg-Zn-Ca) and expand the information about this system, this work involved the use of the topological criterion of instability (λ) and the criterion of electronegativity (Δe) to the choice of compositions. The alloys were processed into wedge-shaped and analyzed structurally and in X-ray diffraction and scanning electron microscopy. (author)

Relaxed impact craters on Ganymede: Regional variation and high heat flows

Science.gov (United States)

Singer, Kelsi N.; Bland, Michael T.; Schenk, Paul M.; McKinnon, William B.

2018-05-01

Viscously relaxed craters provide a window into the thermal history of Ganymede, a satellite with copious geologic signs of past high heat flows. Here we present measurements of relaxed craters in four regions for which suitable imaging exists: near Anshar Sulcus, Tiamat Sulcus, northern Marius Regio, and Ganymede's south pole. We describe a technique to measure apparent depth, or depth of the crater with respect to the surrounding terrain elevation. Measured relaxation states are compared with results from finite element modeling to constrain heat flow scenarios [see companion paper: Bland et al. (2017)]. The presence of numerous, substantially relaxed craters indicates high heat flows-in excess of 30-40 mW m-2 over 2 Gyr, with many small (heat flows. Crater relaxation states are bimodal for some equatorial regions but not in the region studied near the south pole, which suggests regional variations in Ganymede's thermal history.

On the origin of the Vogel–Fulcher–Tammann law in the thermo-responsive shape memory effect of amorphous polymers

International Nuclear Information System (INIS)

Lu, Haibao; Huang, Wei Min

2013-01-01

All amorphous shape memory polymers (SMPs) are featured by their relaxation behavior above and below the switching transition temperature (T SW ). Above T SW , the glass transition and secondary transition merge together, resulting in the cooperative (α) movement in polymer macromolecules. Below T SW , movement is non-cooperative (β). In this study, three thermodynamic constitutive frameworks for the shape recovery behavior in amorphous SMPs are proposed based on the Arrhenius, Vogel–Fulcher–Tammann (VFT) and Bässler laws, respectively, and incorporated with parameters (stress, strain and relaxation time) as functions of temperature. The relaxation times of α and β movements satisfy the VFT and Arrhenius laws, respectively. The simulation is compared with the available experimental results reported in the literature for verification. The VFT law is found to be better than the other models, and is able to provide an accurate prediction for the temperature dependent relaxation behavior, from the Arrhenius behavior below, to the Williams–Landel–Ferry behavior above T SW . (paper)

Radiation-induced formation of cavities in amorphous germanium

International Nuclear Information System (INIS)

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

1989-01-01

Prethinned polycrystalline Ge TEM samples were irradiated with 1.5 MeV Kr + ions at room temperature while structural and morphological changes were observed in situ in the Argonne High Voltage Electron Microscope-Tandem Facility. After a Kr + dose of 1.2x10 14 ions/cm 2 , the irradiated Ge was completely amorphized. A high density of small void-like cavities was observed after a Kr + dose of 7x10 14 ions/cm 2 . With increasing Kr + ion dose, these cavities grew into large holes transforming the irradiated Ge into a sponge-like porous material after 8.5x10 15 ions/cm 2 . The radiation-induced nucleation of void-like cavities in amorphous material is astonishing, and the final structure of the irradiated Ge with enormous surface area may have potential applications

Magnetic and topographical modifications of amorphous Co–Fe thin films induced by high energy Ag{sup 7+} ion irradiation

Energy Technology Data Exchange (ETDEWEB)

Pookat, G.; Hysen, T. [Department of Physics, Cochin University of Science and Technology, Cochin 682022, Kerala (India); Al-Harthi, S.H.; Al-Omari, I.A. [Department of Physics, Sultan Qaboos University, Muscat, P.O. Box 36, Code 123 (Oman); Lisha, R. [Department of Physics, Cochin University of Science and Technology, Cochin 682022, Kerala (India); Avasthi, D.K. [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110 067 (India); Anantharaman, M.R., E-mail: mra@gmail.com [Department of Physics, Cochin University of Science and Technology, Cochin 682022, Kerala (India)

2013-09-01

We have investigated the effects of swift heavy ion irradiation on thermally evaporated 44 nm thick, amorphous Co{sub 77}Fe{sub 23} thin films on silicon substrates using 100 MeV Ag{sup 7+} ions fluences of 1 × 10{sup 11} ions/cm{sup 2}, 1 × 10{sup 12} ions/cm{sup 2}, 1 × 10{sup 13} ions/cm{sup 2}, and 3 × 10{sup 13} ions/cm{sup 2}. The structural modifications upon swift heavy irradiation were investigated using glancing angle X-ray diffraction. The surface morphological evolution of thin film with irradiation was studied using Atomic Force Microscopy. Power spectral density analysis was used to correlate the roughness variation with structural modifications investigated using X-ray diffraction. Magnetic measurements were carried out using vibrating sample magnetometry and the observed variation in coercivity of the irradiated films is explained on the basis of stress relaxation. Magnetic force microscopy images are subjected to analysis using the scanning probe image processor software. These results are in agreement with the results obtained using vibrating sample magnetometry. The magnetic and structural properties are correlated.

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)

Combined HRTEM and PEELS analysis of nanoporous and amorphous carbon

International Nuclear Information System (INIS)

Peng, J.L.; Fan, X. D.; Bursill, L.A.

1997-01-01

Both the mass density (1.37 kgm/m 3 ) and sp 2 +sp 3 bonding fraction (0.15) were determined for an unusual nanoporous amorphous carbon consisting of curved single graphitic sheets. A combination of high-resolution transmission electron microscopy (HRTEM) and parallel electron energy loss spectroscopy (PEELS) was used. The values of these two parameters provide important constraints for the determination of the structure of this relatively low density variety of nanoporous carbon. The results are relevant also in the search for negatively-curved Schwarzite-related carbon structures. New date are also presented for highly-oriented pyrollytic graphite (HOPG), chemically vapour deposited (CVD) diamond, C 60 , glassy carbon (GC) and evaporated amorphous carbon (EAC); these are compared with the results for NAC. Kramers-Kronig analysis (KKA) of the low-loss PEELS data shows that the band gaps of both NAC and EAC are collapsed relative to that of CVD diamond. 18 refs., 2 tabs., 3 figs

Combined HRTEM and PEELS analysis of nanoporous and amorphous carbon

Energy Technology Data Exchange (ETDEWEB)

Peng, J.L.; Fan, X. D.; Bursill, L.A.

1997-06-01

Both the mass density (1.37 kgm/m{sup 3}) and sp{sup 2}+sp{sup 3} bonding fraction (0.15) were determined for an unusual nanoporous amorphous carbon consisting of curved single graphitic sheets. A combination of high-resolution transmission electron microscopy (HRTEM) and parallel electron energy loss spectroscopy (PEELS) was used. The values of these two parameters provide important constraints for the determination of the structure of this relatively low density variety of nanoporous carbon. The results are relevant also in the search for negatively-curved Schwarzite-related carbon structures. New date are also presented for highly-oriented pyrollytic graphite (HOPG), chemically vapour deposited (CVD) diamond, C{sub 60}, glassy carbon (GC) and evaporated amorphous carbon (EAC); these are compared with the results for NAC. Kramers-Kronig analysis (KKA) of the low-loss PEELS data shows that the band gaps of both NAC and EAC are collapsed relative to that of CVD diamond. 18 refs., 2 tabs., 3 figs.

Amorphous and nanocrystalline phase formation in highly-driven Al-based binary alloys

Energy Technology Data Exchange (ETDEWEB)

Kalay, Yunus Eren [Iowa State Univ., Ames, IA (United States)

2009-01-01

each other. This deviation indicates an adiabatic type solidification path where heat of fusion is reabsorbed. It is interesting that this particle size range is also consistent with the appearance of a microcellular growth. While no glass formation is observed within this system, the smallest size powders appear to consist of a mixture of nanocrystalline Si and Al. Al-Sm alloys have been investigated within a composition range of 34 to 42 wt% Sm. Gas atomized powders of Al-Sm are investigated to explore the morphological and structural hierarchy that correlates with different degrees of departure from full equilibrium conditions. The resultant powders show a variety of structural selection with respect to amount of undercooling, with an amorphous structure appearing at the highest cooling rates. Because of the chaotic nature of gas atomization, Cu-block melt-spinning is used to produce a homogeneous amorphous structure. The as-quenched structure within Al-34 to 42 wt% Sm consists of nanocrystalline fcc-Al (on the order of 5 nm) embedded in an amorphous matrix. The nucleation density of fcc-Al after initial crystallization is on the order of 10²²-10²³m^-3, which is 10⁵-10⁶ orders of magnitude higher than what classical nucleation theory predicts. Detailed analysis of liquid and as-quenched structures using high energy synchrotron X-ray diffraction, high energy transmission electron microscopy, and atom probe tomography techniques revealed an Al-Sm network similar in appearance to a medium range order (MRO) structure. A model whereby these MRO clusters promote the observed high nucleation density of fcc-Al nanocrystals is proposed. The devitrification path was identified using high temperature, in-situ, high energy synchrotron X-ray diffraction techniques and the crystallization kinetics were described using an analytical Johnson-Mehl-Avrami (JMA) approach.

Relaxed impact craters on Ganymede: Regional variation and high heat flows

Science.gov (United States)

Singer, Kelsi N.; Bland, Michael T.; Schenk, Paul M.; McKinnon, William B.

2018-01-01

Viscously relaxed craters provide a window into the thermal history of Ganymede, a satellite with copious geologic signs of past high heat flows. Here we present measurements of relaxed craters in four regions for which suitable imaging exists: near Anshar Sulcus, Tiamat Sulcus, northern Marius Regio, and Ganymede's south pole. We describe a technique to measure apparent depth, or depth of the crater with respect to the surrounding terrain elevation. Measured relaxation states are compared with results from finite element modeling to constrain heat flow scenarios [see companion paper: Bland et al. (2017)]. The presence of numerous, substantially relaxed craters indicates high heat flows—in excess of 30–40 mW m−2 over 2 Gyr, with many small (heat flows. Crater relaxation states are bimodal for some equatorial regions but not in the region studied near the south pole, which suggests regional variations in Ganymede's thermal history.

Improving co-amorphous drug formulations by the addition of the highly water soluble amino acid proline

DEFF Research Database (Denmark)

Jensen, Katrine Birgitte Tarp; Löbmann, Korbinian; Rades, Thomas

2014-01-01

Co-amorphous drug amino acid mixtures were previously shown to be a promising approach to create physically stable amorphous systems with the improved dissolution properties of poorly water-soluble drugs. The aim of this work was to expand the co-amorphous drug amino acid mixture approach...... by combining the model drug, naproxen (NAP), with an amino acid to physically stabilize the co-amorphous system (tryptophan, TRP, or arginine, ARG) and a second highly soluble amino acid (proline, PRO) for an additional improvement of the dissolution rate. Co-amorphous drug-amino acid blends were prepared...... the molecular interactions in the form of hydrogen bonds between all three components in the mixture. A salt formation between the acidic drug, NAP, and the basic amino acid, ARG, was found in co-amorphous NAP–ARG. In comparison to crystalline NAP, binary NAP–TRP and NAP–ARG, it could be shown that the highly...

Evolution of the electrical properties of amorphous Ni24Zr76 and Ni35Ti65 as a result of structural relaxation and crystallization

International Nuclear Information System (INIS)

Pelletier, J.M.; Fouquet, F.; Hillairet, J.

1986-01-01

Experimental results are given for the resistivity and the thermopower of two metallic glasses, Ni 24 Zr 76 and Ni 35 Ti 65 , together with the temperature dependences of these physical parameters, between 4 K (or 78 K) and crystallization temperature. In the as-quenched state the observed profiles are in qualitative agreement with the Mooij empirical law, but they agree only in part with the Ziman theory. The modifications which occur in response to successive thermal treatments are analyzed in terms of structural relaxation and crystallization processes. As expected the respective evolutions of the two electrical properties studied are found to be very closely related. It is shown that they can adequately be used to monitor the evolution of the volume fraction of crystallinity during the aging of amorphous metallic alloys. (author)

Effect of temperature and density fluctuations on the spatially heterogeneous dynamics of glass-forming Van der Waals liquids under high pressure.

Science.gov (United States)

Koperwas, K; Grzybowski, A; Grzybowska, K; Wojnarowska, Z; Sokolov, A P; Paluch, M

2013-09-20

In this Letter, we show how temperature and density fluctuations affect the spatially heterogeneous dynamics at ambient and elevated pressures. By using high-pressure experimental data for van der Waals liquids, we examine contributions of the temperature and density fluctuations to the dynamics heterogeneity. We show that the dynamic heterogeneity decreases significantly with increasing pressure at a constant structural relaxation time (isochronal condition), while the broadening of the relaxation spectrum remains constant. This observation questions the relationship between spectral broadening and dynamic heterogeneity.

Relaxation of a steep density gradient in a simple fluid: Comparison between atomistic and continuum modeling

International Nuclear Information System (INIS)

Pourali, Meisam; Maghari, Ali; Meloni, Simone; Magaletti, Francesco; Casciola, Carlo Massimo; Ciccotti, Giovanni

2014-01-01

We compare dynamical nonequilibrium molecular dynamics and continuum simulations of the dynamics of relaxation of a fluid system characterized by a non-uniform density profile. Results match quite well as long as the lengthscale of density nonuniformities are greater than the molecular scale (∼10 times the molecular size). In presence of molecular scale features some of the continuum fields (e.g., density and momentum) are in good agreement with atomistic counterparts, but are smoother. On the contrary, other fields, such as the temperature field, present very large difference with respect to reference (atomistic) ones. This is due to the limited accuracy of some of the empirical relations used in continuum models, the equation of state of the fluid in the present example

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.

Model of the recrystallization mechanism of amorphous silicon layers created by ion implantation

International Nuclear Information System (INIS)

Drosd, R.M.

1979-11-01

The recrystallization behavior during annealing of thin films of amorphous (α) silicon, in contact with a single crystal silicon substrate (referred to as C), has been studied in the transmission electron microscope (TEM). The amorphous film is created during high dose phosphorus ion implantation at 100 keV. It was found that the crystal substrate orientation and the implantation temperature have dramatic effects on the recrystallizaton rate, and the defect microstructure produced during annealing. Specifically, (100) wafers implanted at 77 0 K contain only a low density of dislocation loops, but when the same wafer is implanted at room temperature the dislocation density is increased drastically. (111) wafers, when implanted at 77 0 K show a high density of microtwins, but as the implantation temperature is increased a gradual increase in the density of dislocation loops is observed along with a reduction of the microtwins. At an implantation temperature of about 100 0 C both orientations give an identical defect microstructure when annealed, which is a dense tangle of dislocations

The modified relaxation time function: A novel analysis technique for relaxation processes. Application to high-temperature molybdenum internal friction peaks

International Nuclear Information System (INIS)

Matteo, C.L.; Lambri, O.A.; Zelada-Lambri, G.I.; Sorichetti, P.A.; Garcia, J.A.

2008-01-01

The modified relaxation time (MRT) function, which is based on a general linear viscoelastic formalism, has several important mathematical properties that greatly simplify the analysis of relaxation processes. In this work, the MRT is applied to the study of the relaxation damping peaks in deformed molybdenum at high temperatures. The dependence of experimental data from these relaxation processes with temperature are adequately described by a Havriliak-Negami (HN) function, and the MRT makes it possible to find a relation between the parameters of the HN function and the activation energy of the process. The analysis reveals that for the relaxation peak appearing at temperatures below 900 K, the physical mechanism is related to a vacancy-diffusion-controlled movement of dislocations. In contrast, when the peak appears at temperatures higher than 900 K, the damping is controlled by a mechanism of diffusion in the low-temperature tail of the peak, and in the high-temperature tail of the peak the creation plus diffusion of vacancies at the dislocation line occurs

FY1995 study of high density near-contact magnetic recording using spin valve head; 1995 nendo spin valve head ni yoru chokomitsudo near contact jiki kiroku no kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-03-01

Development of high performance spin valves formed by amorphous magnetic layer and head-medium interface with nano-thickness molecular film for realizing an ultra-high density of 20 Gbit/in{sup 2} using contact recording. The giant magnetoresistance effect was investigated for spin valves using very thin amorphous magnetic layer. In amorphous-CoFeB/Cu/ Co spin valves, the maximum MR ratio of 6% was achieved at the thickness of the amorphous layer of 2 nm. The spin valves with the amorphous layer exhibit very good thermal stability. Design guideline for molecularly thin lubricant was established using newly derived lubrication equation considering lubricant porosity. Novel method for accurately measuring surface force due to molecularly thin lubricant was developed by using Michelson interferometry to detect cantilever displacement, which enabled two-dimensional transient force measurement. (NEDO)

Amorphous silica in ultra-high performance concrete: First hour of hydration

Energy Technology Data Exchange (ETDEWEB)

Oertel, Tina, E-mail: tina.oertel@isc.fraunhofer.de [Fraunhofer-Institute for Silicate Research ISC, Neunerplatz 2, 97082 Würzburg (Germany); Chair for Inorganic Chemistry I, Universität Bayreuth, Universitätsstr. 30, 95440 Bayreuth (Germany); Hutter, Frank [Fraunhofer-Institute for Silicate Research ISC, Neunerplatz 2, 97082 Würzburg (Germany); Helbig, Uta, E-mail: uta.helbig@th-nuernberg.de [Chair for Crystallography and X-ray Methods, Technische Hochschule Nürnberg Georg Simon Ohm, Wassertorstraße 10, 90489 Nürnberg (Germany); Sextl, Gerhard [Fraunhofer-Institute for Silicate Research ISC, Neunerplatz 2, 97082 Würzburg (Germany); Chair for Chemical Technology of Advanced Materials, Julius Maximilian Universität, Röntgenring 11, 97070 Würzburg (Germany)

2014-04-01

Amorphous silica in the sub-micrometer size range is widely used to accelerate cement hydration. Investigations including properties of silica which differ from the specific surface area are rare. In this study, the reactivity of varying types of silica was evaluated based on their specific surface area, surface silanol group density, content of silanol groups and solubility in an alkaline suspension. Pyrogenic silica, silica fume and silica synthesized by hydrolysis and condensation of alkoxy silanes, so-called Stoeber particles, were employed. Influences of the silica within the first hour were further examined in pastes with water/cement ratios of 0.23 using in-situ X-ray diffraction, cryo scanning electron microscopy and pore solution analysis. It was shown that Stoeber particles change the composition of the pore solution. Na{sup +}, K{sup +}, Ca{sup 2+} and silicate ions seem to react to oligomers. The extent of this reaction might be highest for Stoeber particles due to their high reactivity.

Plasmon-mediated energy relaxation in graphene

Energy Technology Data Exchange (ETDEWEB)

Ferry, D. K. [School of Electrical, Computer, and Energy Engineering, Arizona State University, Tempe, Arizona 85287-5706 (United States); Somphonsane, R. [Department of Physics, King Mongkut' s Institute of Technology, Ladkrabang, Bangkok 10520 (Thailand); Ramamoorthy, H.; Bird, J. P. [Department of Electrical Engineering, University at Buffalo, the State University of New York, Buffalo, New York 14260-1500 (United States)

2015-12-28

Energy relaxation of hot carriers in graphene is studied at low temperatures, where the loss rate may differ significantly from that predicted for electron-phonon interactions. We show here that plasmons, important in the relaxation of energetic carriers in bulk semiconductors, can also provide a pathway for energy relaxation in transport experiments in graphene. We obtain a total loss rate to plasmons that results in energy relaxation times whose dependence on temperature and density closely matches that found experimentally.

Domain wall propagation in Fe-rich amorphous microwires

Energy Technology Data Exchange (ETDEWEB)

Panina, L.V. [School of Comp. and Math., Univ. of Plymouth, Drake Circus, PL4 AA, Plymouth (United Kingdom); Ipatov, M.; Zhukova, V. [Dpto. Fisica de Materiales, Fac. Quimicas, UPV/EHU, 20018 San Sebastian (Spain); Zhukov, A., E-mail: arkadi.joukov@ehu.es [Dpto. Fisica de Materiales, Fac. Quimicas, UPV/EHU, 20018 San Sebastian (Spain); IKERBASQUE, Basque Foundation for Science, 48011 Bilbao (Spain)

2012-05-01

The domain wall (DW) propagation in magnetically bistable Fe{sub 74}Si{sub 11}B{sub 13}C{sub 2} amorphous microwires with metallic nucleus diameters of 12-16 {mu}m has been investigated in order to explain high DW velocities observed in Sixtus-Tonks like experiments. In micrometric wires, the boundary between two head-to-head domains is very elongated. The DW mobility normal to the wall surface is reduced by the domain aspect ratio and is in the range of a few m/s/Oe in the linear regime. The experimental results in the viscous regime could be quantitatively explained in terms of the domain length and normal mobility limited by the eddy currents and spin relaxation losses.

Crystalline-Amorphous Core−Shell Silicon Nanowires for High Capacity and High Current Battery Electrodes

KAUST Repository

Cui, Li-Feng

2009-01-14

Silicon is an attractive alloy-type anode material for lithium ion batteries because of its highest known capacity (4200 mAh/g). However silicon\\'s large volume change upon lithium insertion and extraction, which causes pulverization and capacity fading, has limited its applications. Designing nanoscale hierarchical structures is a novel approach to address the issues associated with the large volume changes. In this letter, we introduce a core-shell design of silicon nanowires for highpower and long-life lithium battery electrodes. Silicon crystalline- amorphous core-shell nanowires were grown directly on stainless steel current collectors by a simple one-step synthesis. Amorphous Si shells instead of crystalline Si cores can be selected to be electrochemically active due to the difference of their lithiation potentials. Therefore, crystalline Si cores function as a stable mechanical support and an efficient electrical conducting pathway while amorphous shells store Li ions. We demonstrate here that these core-shell nanowires have high charge storage capacity (̃1000 mAh/g, 3 times of carbon) with ̃90% capacity retention over 100 cycles. They also show excellent electrochemical performance at high rate charging and discharging (6.8 A/g, ̃20 times of carbon at 1 h rate). © 2009 American Chemical Society.

High Density Silver Nanowire Arrays using Self-ordered Anodic Aluminum Oxide (AAO) Membrane

OpenAIRE

Han, Young-Hwan

2008-01-01

High density silver nanowire arrays were synthesized through the self-ordered Anodic Aluminum Oxide (AAO) template. The pore size in the AAO membrane was confirmed by processing the widening porosity with a honeycomb structure with cross sections of 20nm, 50nm, and 100nm, by SEM. Pore numbers by unit area were consistent; only pore size changed. The synthesized silver nanowire, which was crystallized, was dense in the cross sections of the amorphous AAO membrane. The synthesized silver nanowi...

Evaluation of long-term relaxation for high-strength bolted connections

International Nuclear Information System (INIS)

Nah, H. S.; Lee, H. J.; Kim, K. S.

2010-01-01

It is general that the clamping forces of high-strength bolts diminish within a certain time period after the initial clamping force. In case that special treatments are applied on a faying surface, the clamping force is relaxed severely. Tests were conducted for slip critical joints subjected to various faying surface parameters. The candidates for bolt were two kinds: Korean Standard and American Standard. Relaxation occurred for slip resistant joints with an uncoated surface that had been shot-blasted, cleaned, milled or rusted. In case of ASTM hexagon bolts, the initial clamping force dropped from 7.9% to 13.6% after 1, 000 hours while relaxation ratio was the range from 8.7% to 15.4% for KS bolts. For ASTM hexagon bolt joints with a 5 mil thick zinc coating, the clamping force of the bolts decreased 15.0%, while relaxation ratio was 12.85% for KS bolts. For 4.9 mil thick red lead painted treatment, the relaxation ratio was 18.7% for ASTM hexagon bolt, 34.9% for KS bolts. Regardless of faying surface treatments, the first week charged at least 86% of total relaxation from this test. (authors)

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)

ACBC to Balcite: Bioinspired Synthesis of a Highly Substituted High-Temperature Phase from an Amorphous Precursor

Energy Technology Data Exchange (ETDEWEB)

Whittaker, Michael L.; Joester, Derk (NWU)

2017-04-28

Energy-efficient synthesis of materials locked in compositional and structural states far from equilibrium remains a challenging goal, yet biomineralizing organisms routinely assemble such materials with sophisticated designs and advanced functional properties, often using amorphous precursors. However, incorporation of organics limits the useful temperature range of these materials. Herein, the bioinspired synthesis of a highly supersaturated calcite (Ca0.5Ba0.5CO3) called balcite is reported, at mild conditions and using an amorphous calcium–barium carbonate (ACBC) (Ca1- x Ba x CO3·1.2H2O) precursor. Balcite not only contains 50 times more barium than the solubility limit in calcite but also displays the rotational disorder on carbonate sites that is typical for high-temperature calcite. It is significantly harder (30%) and less stiff than calcite, and retains these properties after heating to elevated temperatures. Analysis of balcite local order suggests that it may require the formation of the ACBC precursor and could therefore be an example of nonclassical nucleation. These findings demonstrate that amorphous precursor pathways are powerfully enabling and provide unprecedented access to materials far from equilibrium, including high-temperature modifications by room-temperature synthesis.

Compaction of amorphous iron–boron powder

DEFF Research Database (Denmark)

Hendriksen, Peter Vang; Mørup, Steen; Koch, Christian

1993-01-01

Large scale practical use of bulk amorphous alloys requires the capability of molding the material to a desired design, for instance by compaction of an amorphous powder. This is a difficult task because the sintering temperature is limited by the crystallization temperature of the alloy.1 Here we......, should facilitate a compaction. The passivation layer, however, impedes a compaction. Isostatic pressing at 540 K at a pressure of 200 MPa clearly illustrated this; pellets pressed from passivated powder were much more brittle than pellets pressed from unpassivated powder. The density of the pellets...... was very low ([approximately-equal-to]25% of the density of bulk FeB). We have designed a die for uniaxial pressing in which the compaction can be performed without exposing the powder to air and have obtained densities larger than 60% of that of bulk FeB. We have reported studies of the dependence...

Impact of Ion Bombardment on the Structure and Magnetic Properties of Fe78Si13B9 Amorphous Alloy

Science.gov (United States)

Wu, Yingwei; Peng, Kun

2018-06-01

Amorphous Fe78Si13B9 alloy ribbons were bombarded by ion beams with different incident angles ( θ ). The evolution of the microstructure and magnetic properties of ribbons caused by ion beam bombardment was investigated by x-ray diffraction, transmission electron microscope and vibrating sample magnetometer analysis. Low-incident-angle bombardment led to atomic migration in the short range, and high-incident-angle bombardment resulted in the crystallization of amorphous alloys. Ion bombardment induces magnetic anisotropy and affects magnetic properties. The effective magnetic anisotropy was determined by applying the law of approach to saturation, and it increased with the increase of the ion bombardment angle. The introduction of effective magnetic anisotropy will reduce the permeability and increase the relaxation frequency. Excellent high-frequency magnetic properties can be obtained by selecting suitable ion bombardment parameters.

Glass polymorphism in amorphous germanium probed by first-principles computer simulations

Science.gov (United States)

Mancini, G.; Celino, M.; Iesari, F.; Di Cicco, A.

2016-01-01

The low-density (LDA) to high-density (HDA) transformation in amorphous Ge at high pressure is studied by first-principles molecular dynamics simulations in the framework of density functional theory. Previous experiments are accurately reproduced, including the presence of a well-defined LDA-HDA transition above 8 GPa. The LDA-HDA density increase is found to be about 14%. Pair and bond-angle distributions are obtained in the 0-16 GPa pressure range and allowed us a detailed analysis of the transition. The local fourfold coordination is transformed in an average HDA sixfold coordination associated with different local geometries as confirmed by coordination number analysis and shape of the bond-angle distributions.

Optical waveguiding in amorphous tellurium oxide thin films

Energy Technology Data Exchange (ETDEWEB)

Nayak, Ranu; Gupta, Vinay; Dawar, A.L.; Sreenivas, K

2003-11-24

Optical waveguiding characteristics of amorphous TeO{sub 2-x} films deposited by reactive sputtering under different O{sub 2}:Ar gas mixtures are investigated on fused quartz and Corning glass substrates. Infra-red absorption band in the range 641-658 cm{sup -1} confirmed the formation of a Te-O bond, and a 20:80 O{sub 2}:Ar gas mixture ratio is found to be optimum for achieving highly uniform and transparent films at a high deposition rate. As grown amorphous films exhibited a large band gap (3.76 eV); a high refractive index value (2.042-2.052) with low dispersion over a wide wavelength range of 500-2000 nm. Optical waveguiding with low propagation loss of 0.26 dB/cm at 633 nm is observed on films subjected to a post-deposition annealing treatment at 200 deg. C. Packing density and etch rates have been determined and correlated with the lowering of optical propagation loss in the annealed films.

Crystalline and amorphous carbon nitride films produced by high-energy shock plasma deposition

International Nuclear Information System (INIS)

Bursilll, L.A.; Peng, Julin; Gurarie, V.N.; Orlov, A.V.; Prawer, S.

1995-01-01

High-energy shock plasma deposition techniques are used to produce carbon-nitride films containing both crystalline and amorphous components. The structures are examined by high-resolution transmission electron microscopy, parallel-electron-energy loss spectroscopy and electron diffraction. The crystalline phase appears to be face-centered cubic with unit cell parameter approx. a=0.63nm and it may be stabilized by calcium and oxygen at about 1-2 at % levels. The carbon atoms appear to have both trigonal and tetrahedral bonding for the crystalline phase. There is PEELS evidence that a significant fraction of the nitrogen atoms have sp 2 trigonal bonds in the crystalline phase. The amorphous carbon-nitride film component varies from essentially graphite, containing virtually no nitrogen, to amorphous carbon-nitride containing up to 10 at % N, where the fraction of sp 3 bonds is significant. 15 refs., 5 figs

Applications in the Nuclear Industry for Corrosion-Resistant Amorphous-Metal Thermal-Spray Coatings

International Nuclear Information System (INIS)

Farmer, J; Choi, J

2007-01-01

Amorphous metal and ceramic thermal spray coatings have been developed that can be used to enhance the corrosion resistance of containers for the transportation, aging and disposal of spent nuclear fuel and high-level radioactive wastes. Fe-based amorphous metal formulations with chromium, molybdenum and tungsten have shown the corrosion resistance believed to be necessary for such applications. Rare earth additions enable very low critical cooling rates to be achieved. The boron content of these materials, and their stability at high neutron doses, enable them to serve as high efficiency neutron absorbers for criticality control. Ceramic coatings may provide even greater corrosion resistance for container applications, though the boron-containing amorphous metals are still favored for criticality control applications. These amorphous metal and ceramic materials have been produced as gas atomized powders and applied as near full density, non-porous coatings with the high-velocity oxy-fuel process. This paper summarizes the performance of these coatings as corrosion-resistant barriers, and as neutron absorbers. Relevant corrosion models are also discussed, as well as a cost model to quantify the economic benefits possible with these new materials

Intrinsic stress evolution during amorphous oxide film growth on Al surfaces

International Nuclear Information System (INIS)

Flötotto, D.; Wang, Z. M.; Jeurgens, L. P. H.; Mittemeijer, E. J.

2014-01-01

The intrinsic stress evolution during formation of ultrathin amorphous oxide films on Al(111) and Al(100) surfaces by thermal oxidation at room temperature was investigated in real-time by in-situ substrate curvature measurements and detailed atomic-scale microstructural analyses. During thickening of the oxide a considerable amount of growth stresses is generated in, remarkably even amorphous, ultrathin Al 2 O 3 films. The surface orientation-dependent stress evolutions during O adsorption on the bare Al surfaces and during subsequent oxide-film growth can be interpreted as a result of (i) adsorption-induced surface stress changes and (ii) competing processes of free volume generation and structural relaxation, respectively

In situ atomic layer nitridation on the top and down regions of the amorphous and crystalline high-K gate dielectrics

Energy Technology Data Exchange (ETDEWEB)

Tsai, Meng-Chen [Department of Materials Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China); Lee, Min-Hung [Institute of Electro-Optical Science and Technology, National Taiwan Normal University, Taipei 11677, Taiwan (China); Kuo, Chin-Lung; Lin, Hsin-Chih [Department of Materials Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China); Chen, Miin-Jang, E-mail: mjchen@ntu.edu.tw [Department of Materials Science and Engineering, National Taiwan University, Taipei 10617, Taiwan (China)

2016-11-30

Highlights: • The structural and electrical characteristics of the ZrO{sub 2} high-K dielectrics, treated with the in situ atomic layer doping of nitrogen into the top and down regions (top and down nitridation, TN and DN, respectively), were investigated. • The amorphous DN sample has a lower leakage current density (J{sub g}) than the amorphous TN sample, attributed to the formation of SiO{sub x}N{sub y} in the interfacial layer (IL). • The crystalline TN sample exhibited a lower CET and a similar J{sub g} as compared with the crystalline DN sample, which can be ascribed to the suppression of IL regrowth. • The crystalline ZrO{sub 2} with in situ atomic layer doping of nitrogen into the top region exhibited superior scaling limit, electrical characteristics, and reliability. - Abstract: Amorphous and crystalline ZrO{sub 2} gate dielectrics treated with in situ atomic layer nitridation on the top and down regions (top and down nitridation, abbreviated as TN and DN) were investigated. In a comparison between the as-deposited amorphous DN and TN samples, the DN sample has a lower leakage current density (J{sub g}) of ∼7 × 10{sup −4} A/cm{sup 2} with a similar capacitance equivalent thickness (CET) of ∼1.53 nm, attributed to the formation of SiO{sub x}N{sub y} in the interfacial layer (IL). The post-metallization annealing (PMA) leads to the transformation of ZrO{sub 2} from the amorphous to the crystalline tetragonal/cubic phase, resulting in an increment of the dielectric constant. The PMA-treated TN sample exhibits a lower CET of 1.22 nm along with a similar J{sub g} of ∼1.4 × 10{sup −5} A/cm{sup 2} as compared with the PMA-treated DN sample, which can be ascribed to the suppression of IL regrowth. The result reveals that the nitrogen engineering in the top and down regions has a significant impact on the electrical characteristics of amorphous and crystalline ZrO{sub 2} gate dielectrics, and the nitrogen incorporation at the top of crystalline

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...

Reversible pressure-induced crystal-amorphous structural transformation in ice Ih

Science.gov (United States)

English, Niall J.; Tse, John S.

2014-08-01

Molecular dynamics (MD) simulation of depressurised high-density amorphous ice (HDA) at 80 K and at negative pressures has been performed. Over several attempts, HDA recrystallised to a form close to hexagonal ice Ih, albeit with some defects. The results support the hypothesis that compression of ice-Ih to HDA is a reversible first-order phase transition, with a large hysteresis. Therefore, it would appear that LDA is not truly amorphous. The elastic energy estimated from the area of the hysteresis loop is ca. 4.5 kJ/mol, in some way consistent with experimentally-determined accumulated successive heats of transformations from recovered HDA → ice Ih.

Effect of Au{sup 8+} irradiation on Ni/n-GaP Schottky diode: Its influence on interface state density and relaxation time

Energy Technology Data Exchange (ETDEWEB)

Shiwakoti, N.; Bobby, A. [Department of Applied Physics, Indian Institute of Technology (ISM) Dhanbad, Jharkhand 826004 (India); Asokan, K. [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India); Antony, Bobby, E-mail: bka.ism@gmail.com [Department of Applied Physics, Indian Institute of Technology (ISM) Dhanbad, Jharkhand 826004 (India)

2017-01-01

The in-situ capacitance-frequency and conductance-frequency measurements of 100 MeV Au{sup 8+} swift heavy ion irradiated Ni/n-GaP Schottky structure at a constant bias voltage have been carried out in the frequency range 1 kHz–1 MHz at room temperature. The interface states density and the relaxation time of the charge carriers have been calculated from Nicollian and Brews method. Various dielectric parameters such as dielectric constant, dielectric loss, loss tangent, series resistance, ac conductivity, real and imaginary parts of electric modulus have been extracted and analyzed under complex permittivity and complex electric modulus formalisms. The capacitance and conductance characteristics are found to exhibit complex behaviors at lower frequency region (1–20 kHz) for all the samples. The observed peaks and dips at low frequency region are attributed to the relaxation mechanisms of charge carriers and the interface or dipolar polarization at the interface. The dielectric properties are found to be effectively changed by the ion fluence which is attributed to the variation in interface states density and their relaxation time.

Structure and dynamics of amorphous polymers: computer simulations compared to experiment and theory

International Nuclear Information System (INIS)

Paul, Wolfgang; Smith, Grant D

2004-01-01

This contribution considers recent developments in the computer modelling of amorphous polymeric materials. Progress in our capabilities to build models for the computer simulation of polymers from the detailed atomistic scale up to coarse-grained mesoscopic models, together with the ever-improving performance of computers, have led to important insights from computer simulations into the structural and dynamic properties of amorphous polymers. Structurally, chain connectivity introduces a range of length scales from that of the chemical bond to the radius of gyration of the polymer chain covering 2-4 orders of magnitude. Dynamically, this range of length scales translates into an even larger range of time scales observable in relaxation processes in amorphous polymers ranging from about 10 -13 to 10 -3 s or even to 10 3 s when glass dynamics is concerned. There is currently no single simulation technique that is able to describe all these length and time scales efficiently. On large length and time scales basic topology and entropy become the governing properties and this fact can be exploited using computer simulations of coarse-grained polymer models to study universal aspects of the structure and dynamics of amorphous polymers. On the largest length and time scales chain connectivity is the dominating factor leading to the strong increase in longest relaxation times described within the reptation theory of polymer melt dynamics. Recently, many of the universal aspects of this behaviour have been further elucidated by computer simulations of coarse-grained polymer models. On short length scales the detailed chemistry and energetics of the polymer are important, and one has to be able to capture them correctly using chemically realistic modelling of specific polymers, even when the aim is to extract generic physical behaviour exhibited by the specific chemistry. Detailed studies of chemically realistic models highlight the central importance of torsional dynamics

High-throughput identification of higher-κ dielectrics from an amorphous N2-doped HfO2–TiO2 library

International Nuclear Information System (INIS)

Chang, K.-S.; Lu, W.-C.; Wu, C.-Y.; Feng, H.-C.

2014-01-01

Highlights: • Amorphous N 2 -doped HfO 2 –TiO 2 libraries were fabricated using sputtering. • Structure and quality of the dielectric and interfacial layers were investigated. • κ (54), J L < 10 −6 A/cm 2 , and equivalent oxide thickness (1 nm) were identified. - Abstract: High-throughput sputtering was used to fabricate high-quality, amorphous, thin HfO 2 –TiO 2 and N 2 -doped HfO 2 –TiO 2 (HfON–TiON) gate dielectric libraries. Electron probe energy dispersive spectroscopy was used to investigate the structures, compositions, and qualities of the dielectric and interfacial layers of these libraries to determine their electrical properties. A κ value of approximately 54, a leakage current density <10 −6 A/cm 2 , and an equivalent oxide thickness of approximately 1 nm were identified in an HfON–TiON library within a composition range of 68–80 at.% Ti. This library exhibits promise for application in highly advanced metal–oxide–semiconductor (higher-κ) gate stacks

Diffusion studies in amorphous NiZr alloys

International Nuclear Information System (INIS)

Hahn, H.; Averback, R.S.; Hoshino, K.; Rothman, S.J.

1987-06-01

Tracer impurity and self diffusion measurements have been made on amorphous (a-) NiZr alloys using radioactive tracer, Secondary Ion Mass Spectrometry and Rutherford backscattering techniques. The temperature dependence of diffusion in a-NiZr can be represented in the form D = D 0 exp(-Q/kT), with no structural relaxation effects being observed. The mobility of an atom in a-NiZr increased dramatically with decreasing atomic radius of the diffusing atom and also with decreasing Ni content for Ni concentrations below ≅40 at. %. These diffusion characteristics in a-NiZr are remarkably similar to those in α-Zr and α-Ti. These mechanisms assume that Zr and Ti provide a close packed structure, either crystalline or amorphous, through which small atoms diffuse by an interstitial mechanism and large atoms diffuse by a vacancy mechanism. 12 refs., 2 figs., 2 tabs

Defect kinetics and resistance to amorphization in zirconium carbide

International Nuclear Information System (INIS)

Zheng, Ming-Jie; Szlufarska, Izabela; Morgan, Dane

2015-01-01

To better understand the radiation response of zirconium carbide (ZrC), and in particular its excellent resistance to amorphization, we have used density functional theory methods to study the kinetics of point defects in ZrC. The migration barriers and recombination barriers of the simple point defects are calculated using the ab initio molecular dynamics simulation and the nudged elastic band method. These barriers are used to estimate C and Zr interstitial and vacancy diffusion and Frenkel pair recombination rates. A significant barrier for C Frenkel pair recombination is found but it is shown that a large concentration of C vacancies reduces this barrier dramatically, allowing facile healing of radiation damage. The mechanisms underlying high resistance to amorphization of ZrC were analyzed from the perspectives of structural, thermodynamic, chemical and kinetic properties. This study provides insights into the amorphization resistance of ZrC as well as a foundation for understanding general radiation damage in this material

A fractional model with parallel fractional Maxwell elements for amorphous thermoplastics

Science.gov (United States)

Lei, Dong; Liang, Yingjie; Xiao, Rui

2018-01-01

We develop a fractional model to describe the thermomechanical behavior of amorphous thermoplastics. The fractional model is composed of two parallel fractional Maxwell elements. The first fractional Maxwell model is used to describe the glass transition, while the second component is aimed at describing the viscous flow. We further derive the analytical solutions for the stress relaxation modulus and complex modulus through Laplace transform. We then demonstrate the model is able to describe the master curves of the stress relaxation modulus, storage modulus and loss modulus, which all show two distinct transition regions. The obtained parameters show that the modulus of the two fractional Maxwell elements differs in 2-3 orders of magnitude, while the relaxation time differs in 7-9 orders of magnitude. Finally, we apply the model to describe the stress response of constant strain rate tests. The model, together with the parameters obtained from fitting the master curve of stress relaxation modulus, can accurately predict the temperature and strain rate dependent stress response.

Studies of pulsed laser melting and rapid solidification using amorphous silicon

International Nuclear Information System (INIS)

Lowndes, D.H.; Wood, R.F.

1984-06-01

Pulsed-laser melting of ion implantation-amorphized silicon layers, and subsequent solidification were studied. Measurements of the onset of melting of amorphous silicon layers and of the duration of melting, and modified melting model calculations demonstrated that the thermal conductivity, K/sub a/, of amorphous silicon is very low (K/sub a/ approx. = 0.02 W/cm-K). K/sub a/ is also the dominant parameter determining the dynamical response of amorphous silicon to pulsed laser radiation. TEM indicates that bulk (volume) nucleation occurs directly from the highly undercooled liquid silicon that can be prepared by pulsed laser melting of amorphous silicon layers at low laser energy densities. A modified thermal melting model is presented. The model calculations demonstrate that the release of latent heat by bulk nucleation occurring during the melt-in process is essential to obtaining agreement with observed depths of melting. These calculations also show that this release of latent heat accompanying bulk nucleation can result in the existence of buried molten layers of silicon in the interior of the sample after the surface has solidified. The bulk nucleation implies that the liquid-to-amorphous phase transition (produced using picosecond or uv nanosecond laser pulses) cannot be explained using purely thermodynamic considerations

The enhancement of the interdiffusion in Si/Ge amorphous artificial multilayers by additions of B and Au

International Nuclear Information System (INIS)

Park, B.; Spaepen, F.; Poate, J.M.; Jacobson, D.C.

1990-01-01

Amorphous Si/amorphous Ge artificial multilayers were prepared by ion beam sputtering. Boron or gold impurities were introduced into the Si/Ge multilayers by ion implantation or during the sputtering deposition. Diffusion coefficients were determined by measuring the decrease in the intensity of the first order X-ray diffraction peak resulting from the composition modulation. It was found that the interdiffusion of Si and Ge in their amorphous phase can be enhanced by doping. The enhancement factor is independent of the degree of structural relaxation, as observed by the decrease of diffusivity with annealing time, of the amorphous phase. A model is proposed that describes this behavior in terms of electronic effects, introduced by the dopants, on the pre-existing structural defects governing diffusion

Growth Mechanism and Origin of High s p3 Content in Tetrahedral Amorphous Carbon

Science.gov (United States)

Caro, Miguel A.; Deringer, Volker L.; Koskinen, Jari; Laurila, Tomi; Csányi, Gábor

2018-04-01

We study the deposition of tetrahedral amorphous carbon (ta-C) films from molecular dynamics simulations based on a machine-learned interatomic potential trained from density-functional theory data. For the first time, the high s p3 fractions in excess of 85% observed experimentally are reproduced by means of computational simulation, and the deposition energy dependence of the film's characteristics is also accurately described. High confidence in the potential and direct access to the atomic interactions allow us to infer the microscopic growth mechanism in this material. While the widespread view is that ta-C grows by "subplantation," we show that the so-called "peening" model is actually the dominant mechanism responsible for the high s p3 content. We show that pressure waves lead to bond rearrangement away from the impact site of the incident ion, and high s p3 fractions arise from a delicate balance of transitions between three- and fourfold coordinated carbon atoms. These results open the door for a microscopic understanding of carbon nanostructure formation with an unprecedented level of predictive power.

Methyl group rotation and nuclear relaxation at low temperatures

International Nuclear Information System (INIS)

Zweers, A.E.

1976-01-01

This thesis deals with the proton spin-lattice relaxation of some methyl group compounds at liquid helium temperatures. In these molecular crystals, an energy difference between the ground and first rotational state of the methyl group occurs, the so-called tunnelling splitting, which is of the order of a few degrees Kelvin. This means that the high temperature approximation is inappropriate for the description of the occupation densities of the two lowest rotational levels. A description of the properties of the methyl group in connection with relaxation

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

Effect of high pressure on the relaxation dynamics of glass-forming liquids

Energy Technology Data Exchange (ETDEWEB)

Paluch, M; Grzybowska, K; Grzybowski, A [Institute of Physics, Silesian University, ulica Uniwersytecka 4, 40-007 Katowice (Poland)

2007-05-23

A glass is usually formed by cooling a liquid at a rate sufficient to avoid crystallization. In the vicinity of the glass transition the structural relaxation time increases with lowering temperature in a non-Arrhenius fashion and the structural relaxation function reveals a non-Debye behaviour. However, liquid can be also vitrified by keeping it at a constant temperature and increasing the pressure. This pressure-induced transition to the glassy state is also accompanied by dramatic changes in the relaxation dynamics. Herein we discuss the behaviour of the structural relaxation times of glass-forming liquids and polymer melts under high pressure.

Effect of high pressure on the relaxation dynamics of glass-forming liquids

International Nuclear Information System (INIS)

Paluch, M; Grzybowska, K; Grzybowski, A

2007-01-01

A glass is usually formed by cooling a liquid at a rate sufficient to avoid crystallization. In the vicinity of the glass transition the structural relaxation time increases with lowering temperature in a non-Arrhenius fashion and the structural relaxation function reveals a non-Debye behaviour. However, liquid can be also vitrified by keeping it at a constant temperature and increasing the pressure. This pressure-induced transition to the glassy state is also accompanied by dramatic changes in the relaxation dynamics. Herein we discuss the behaviour of the structural relaxation times of glass-forming liquids and polymer melts under high pressure

High Relaxivity Gadolinium Hydroxypyridonate-Viral Capsid Conjugates: Nano-sized MRI Contrast Agents

Energy Technology Data Exchange (ETDEWEB)

Meux, Susan C.; Datta, Ankona; Hooker, Jacob M.; Botta, Mauro; Francis, Matthew B.; Aime, Silvio; Raymond, Kenneth N.

2007-08-29

High relaxivity macromolecular contrast agents based on the conjugation of gadolinium chelates to the interior and exterior surfaces of MS2 viral capsids are assessed. The proton nuclear magnetic relaxation dispersion (NMRD) profiles of the conjugates show up to a five-fold increase in relaxivity, leading to a peak relaxivity (per Gd{sup 3+} ion) of 41.6 mM{sup -1}s{sup -1} at 30 MHz for the internally modified capsids. Modification of the exterior was achieved through conjugation to flexible lysines, while internal modification was accomplished by conjugation to relatively rigid tyrosines. Higher relaxivities were obtained for the internally modified capsids, showing that (1) there is facile diffusion of water to the interior of capsids and (2) the rigidity of the linker attaching the complex to the macromolecule is important for obtaining high relaxivity enhancements. The viral capsid conjugated gadolinium hydroxypyridonate complexes appear to possess two inner-sphere water molecules (q = 2) and the NMRD fittings highlight the differences in the local motion for the internal ({tau}{sub RI} = 440 ps) and external ({tau}{sub RI} = 310 ps) conjugates. These results indicate that there are significant advantages of using the internal surface of the capsids for contrast agent attachment, leaving the exterior surface available for the installation of tissue targeting groups.

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.

High-performance all-printed amorphous oxide FETs and logics with electronically compatible electrode/ channel interface.

Science.gov (United States)

Sharma, Bhupendra Kumar; Stoesser, Anna; Mondal, Sandeep Kumar; Garlapati, Suresh K; Fawey, Mohammed H; Chakravadhanula, Venkata Sai Kiran; Kruk, Robert; Hahn, Horst; Dasgupta, Subho

2018-06-12

Oxide semiconductors typically show superior device performance compared to amorphous silicon or organic counterparts, especially, when they are physical vapor deposited. However, it is not easy to reproduce identical device characteristics when the oxide field-effect transistors (FETs) are solution-processed/ printed; the level of complexity further intensifies with the need to print the passive elements as well. Here, we developed a protocol for designing the most electronically compatible electrode/ channel interface based on the judicious material selection. Exploiting this newly developed fabrication schemes, we are now able to demonstrate high-performance all-printed FETs and logic circuits using amorphous indium-gallium-zinc oxide (a-IGZO) semiconductor, indium tin oxide (ITO) as electrodes and composite solid polymer electrolyte as the gate insulator. Interestingly, all-printed FETs demonstrate an optimal electrical performance in terms of threshold voltages and device mobility and may very well be compared with devices fabricated using sputtered ITO electrodes. This observation originates from the selection of electrode/ channel materials from the same transparent semiconductor oxide family, resulting in the formation of In-Sn-Zn-O (ITZO) based diffused a-IGZO/ ITO interface that controls doping density while ensuring high electrical performance. Compressive spectroscopic studies reveal that Sn doping mediated excellent band alignment of IGZO with ITO electrodes is responsible for the excellent device performance observed. All-printed n-MOS based logic circuits have also been demonstrated towards new-generation portable electronics.

Contribution to the study of the mechanism of crack in amorphous silica: study by the molecular dynamics of crack in amorphous silica; Contribution a l'etude des mecanismes de rupture dans les amorphes: etude par dynamique moleculaire de la rupture de verre de silice

Energy Technology Data Exchange (ETDEWEB)

Van Brutzel, L

2000-07-01

The aim of this thesis was to understand the mechanism which occurs during the crack at the atomic scale in amorphous silica. The difficulties of the experimental observations at this length scale lead us to use numerical studies by molecular dynamics to access to the dynamical and the thermodynamical informations. We have carried out large simulations with 500000 atoms and studied the structure of the amorphous silica before to studying their behaviours under an imposed strain. The structure of this simulated amorphous silica settled in three length scales. In small length scale between 0 and 5 angstrom glass is composed of tetrahedra, this is close to the crystalline structure. In intermediate length scale between 3 and 10 angstrom tetrahedra are connected together and build rings of different sizes composed in majority between 5 and 7 tetrahedra. In bigger length scale between 15 and 60 angstrom, areas with high density of rings are surrounded by areas with low density of rings. These structural considerations play an important role in initiation and propagation of a crack. Indeed. in this length scale. crack propagates by growth and coalescence of some small cavities which appear in area with low density of rings behind the crack tip. The cavities dissipate the stress with carries away a delay to propagation of the crack. This phenomenons seems ductile and leads to non linear elastic behaviour near the crack tip. We have also shown that the addition of alkali in the amorphous silica changes the structure by creation of nano-porosities and leads to enhance the ductility during the crack propagation. (author)

Optical excitation and electron relaxation dynamics at semiconductor surfaces: a combined approach of density functional and density matrix theory applied to the silicon (001) surface

Energy Technology Data Exchange (ETDEWEB)

Buecking, N

2007-11-05

In this work a new theoretical formalism is introduced in order to simulate the phononinduced relaxation of a non-equilibrium distribution to equilibrium at a semiconductor surface numerically. The non-equilibrium distribution is effected by an optical excitation. The approach in this thesis is to link two conventional, but approved methods to a new, more global description: while semiconductor surfaces can be investigated accurately by density-functional theory, the dynamical processes in semiconductor heterostructures are successfully described by density matrix theory. In this work, the parameters for density-matrix theory are determined from the results of density-functional calculations. This work is organized in two parts. In Part I, the general fundamentals of the theory are elaborated, covering the fundamentals of canonical quantizations as well as the theory of density-functional and density-matrix theory in 2{sup nd} order Born approximation. While the formalism of density functional theory for structure investigation has been established for a long time and many different codes exist, the requirements for density matrix formalism concerning the geometry and the number of implemented bands exceed the usual possibilities of the existing code in this field. A special attention is therefore attributed to the development of extensions to existing formulations of this theory, where geometrical and fundamental symmetries of the structure and the equations are used. In Part II, the newly developed formalism is applied to a silicon (001)surface in a 2 x 1 reconstruction. As first step, density-functional calculations using the LDA functional are completed, from which the Kohn-Sham-wave functions and eigenvalues are used to calculate interaction matrix elements for the electron-phonon-coupling an the optical excitation. These matrix elements are determined for the optical transitions from valence to conduction bands and for electron-phonon processes inside the

Sputtering of amorphous carbon layers studied by laser induced fluorescence

International Nuclear Information System (INIS)

Pasch, E.

1992-07-01

In order to minimize the radiation losses, it is desirable to keep the plasmas in nuclear fusion devices free of high-Z-impurities. Therefore, the walls of TEXTOR and other tokamaks are covered with thin layers of amorphous carbon layers (a-C:H) or amorphous carbon/boron layers (a-C/B:H). The sputtering behaviour of these layers has been studied under bombardment by Ar + ions with energies of 1.5 keV and current densities of a few mA/cm 2 . Investigations of these coatings were carried out with the object to measure the velocity distribution of the sputtered atoms and the sputtered yields by laser induced fluorescence in the vacuum ultraviolet. (orig.)

Study of low energy Si5- and Cs- implantation induced amorphization effects in Si(1 0 0)

International Nuclear Information System (INIS)

Lenka, H P; Joseph, B; Kuiri, P K; Sahu, G; Mahapatra, D P; Mishra, P; Ghose, D

2008-01-01

The damage growth and surface modifications in Si(1 0 0), induced by 25 keV Si 5 - cluster ions, as a function of fluence, φ, has been studied using atomic force microscopy (AFM) and channelling Rutherford backscattering spectrometry (RBS/C). RBS/C results indicate a nonlinear growth in damage from which it has been possible to get a threshold fluence, φ 0 , for amorphization as 2.5 x 10 13 ions cm -2 . For φ below φ 0 , a growth in damage as well as surface roughness has been observed. At a φ of 1 x 10 14 ions cm -2 , damage saturation coupled with a much reduced surface roughness has been found. In this case a power spectrum analysis of AFM data showed a significant drop in spectral density, as compared with the same obtained for a fluence, φ 0 . This drop, together with damage saturation, can be correlated with a transition to a stress relaxed amorphous phase. Irradiation with similar mass Cs - ions, at the same energy and fluence, has been found to result in a reduced accumulation of defects in the near surface region leading to reduced surface features.

A comparative study on the direct deposition of μc-Si:H and plasma-induced recrystallization of a-Si:H: Insight into Si crystallization in a high-density plasma

Science.gov (United States)

Zhou, H. P.; Xu, M.; Xu, S.; Feng, Y. Y.; Xu, L. X.; Wei, D. Y.; Xiao, S. Q.

2018-03-01

Deep insight into the crystallization mechanism of amorphous silicon is of theoretical and technological significance for the preparation of high-quality microcrystalline/polycrystalline silicon. In this work, we intensively compare the present two plasma-involved routes, i.e., the direct deposition and recrystallization of precursor amorphous silicon (a-Si) films, to fabricate microcrystalline silicon. Both the directly deposited and recrystallized samples show multi-layered structures as revealed by electronic microscopy. High-density hydrogen plasma involved recrystallization process, which is mediated by the hydrogen diffusion into the deep region of the precursor a-Si film, displays significantly different nucleation configuration, interface properties, and crystallite shape. The underlying mechanisms are analyzed in combination with the interplay of high-density plasma and growing or treated surface.

High-temperature mechanical relaxation in glass-like B2O3

International Nuclear Information System (INIS)

Lomovskoj, V.A.

1987-01-01

The study of high-temperature mechanical relaxation in glass-like B 2 O 3 was carried out at the temperatures from 470 to 620 K using the method of internal friction at freely damped tortional vibrations (frequency range is 0.05 - 10 Hz) and forced torsional vibrations (frequency range is 0.1 -0.00001 Hz). Possible mechanisms of high-temperature mechanical relaxation are considered. It is shown that several possible mechanisms of high-temperature mechanical relaxation in glass-like B 2 O 3 can be singled out. Switching of B-O bridge bond between two boroxol cycles of boroxol grouping for oxygen vacancy in spatial structure of glass-like B 2 O 3 , formed as a result of thermal breaking of one out of three B-O bonds, according to diffusion theory of glass viscosity. The slip of one layer boroxol groupings as to another one in the presence of only tricoordinated boron atoms in the structure of glass-like B 2 O 3

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.

Stabilized amorphous glibenclamide nanoparticles by high-gravity technique

International Nuclear Information System (INIS)

Yu Lei; Li Caixia; Le Yuan; Chen Jianfeng; Zou Haikui

2011-01-01

Highlights: · Amorphous glibenclamide nanoparticles of 220 nm are obtained using the high-gravity technique. · The dissolution rate of these nanoparticles achieves 85% in 5 min, while those of the raw glibenclamide and the commercial glibenclamide tablet only reach 35% and 55% respectively during the same period. · The morphology, particle size, crystalline form and dissolution rate of these nanoparticles almost remain constant after keeping more than 70 days. - Abstract: The stable amorphous glibenclamide nanoparticles was obtained via anti-solvent precipitation using the high-gravity technique in this study. The effects of operating variables on the particle size were investigated. The properties of glibenclamide nanoparticles were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy, differential scanning calorimetry (DSC) and dissolution test. The prepared glibenclamide nanoparticles had a mean size of 220 nm within a narrow distribution. The dissolution rate of glibenclamide nanoparticles was obviously faster than that of the raw glibenclamide or the commercial glibenclamide tablet. It achieved 85% in 5 min, while those of the raw glibenclamide and the commercial glibenclamide tablet achieved 35% and 55% respectively during the same period. The physical stability of the nanoparticles was tested after storing for more than 70 days at room conditions. Their morphology, particle size, crystalline form and dissolution rate almost remained constant during storage.

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.

Facile fabrication of CNTs@C@MoSe2@Se hybrids with amorphous structure for high performance anode in lithium-ion batteries.

Science.gov (United States)

Jin, Rencheng; Cui, Yuming; Wang, Qingyao; Li, Guihua

2017-12-15

Amorphous MoSe 2 and Se anchored on amorphous carbon coated multiwalled carbon nanotubes (CNTs@C@MoSe 2 @Se) have been synthesized by a facile solvothermal strategy. The one dimensional CNTs@C@MoSe 2 @Se can effectively buffer the volume variation, prohibit the aggregation and facilitate electron and ion transport throughout the electrode. Furthermore, the combination of MoSe 2 and Se also provides buffer spaces for the volumetric change during cycling. Thus, the obtained CNTs@C@MoSe 2 @Se hybrids display the enhanced cycle stability and excellent high rate capacity. The reversible capacity of 1010mAhg -1 can be achieved after 100 cycles at the current density of 0.1Ag -1 . Even after 500 cycles, a reversible capacity of 508mAhg -1 is still retained at 5Ag -1 . Copyright © 2017 Elsevier Inc. All rights reserved.

Conversion of nuclear waste to molten glass: Formation of porous amorphous alumina in a high-Al melter feed

Energy Technology Data Exchange (ETDEWEB)

Xu, Kai, E-mail: kaixu@whut.edu.cn [Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Hrma, Pavel, E-mail: pavel.hrma@pnnl.gov [Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Washton, Nancy; Schweiger, Michael J. [Pacific Northwest National Laboratory, Richland, WA 99352 (United States); Kruger, Albert A. [U.S. Department of Energy, Office of River Protection, Richland, WA 99352 (United States)

2017-01-15

The transition of Al phases in a simulated high-Al high-level nuclear waste melter feed heated at 5 K min{sup −1} to 700 °C was investigated with transmission electron microscopy, {sup 27}Al nuclear magnetic resonance spectroscopy, the Brunauer-Emmett-Teller method, and X-ray diffraction. At temperatures between 300 and 500 °C, porous amorphous alumina formed from the dehydration of gibbsite, resulting in increased specific surface area of the feed (∼8 m{sup 2} g{sup −1}). The high-surface-area amorphous alumina formed in this manner could potentially stop salt migration in the cold cap during nuclear waste vitrification. - Highlights: • Porous amorphous alumina formed in a simulated high-Al HLW melter feed during heating. • The feed had a high specific surface area at 300 °C ≤ T ≤ 500 °C. • Porous amorphous alumina induced increased specific surface area.

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

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.

Interface Study on Amorphous Indium Gallium Zinc Oxide Thin Film Transistors Using High-k Gate Dielectric Materials

Directory of Open Access Journals (Sweden)

Yu-Hsien Lin

2015-01-01

Full Text Available We investigated amorphous indium gallium zinc oxide (a-IGZO thin film transistors (TFTs using different high-k gate dielectric materials such as silicon nitride (Si3N4 and aluminum oxide (Al2O3 at low temperature process (<300°C and compared them with low temperature silicon dioxide (SiO2. The IGZO device with high-k gate dielectric material will expect to get high gate capacitance density to induce large amount of channel carrier and generate the higher drive current. In addition, for the integrating process of integrating IGZO device, postannealing treatment is an essential process for completing the process. The chemical reaction of the high-k/IGZO interface due to heat formation in high-k/IGZO materials results in reliability issue. We also used the voltage stress for testing the reliability for the device with different high-k gate dielectric materials and explained the interface effect by charge band diagram.

Interface Study on Amorphous Indium Gallium Zinc Oxide Thin Film Transistors Using High-k Gate Dielectric Materials

International Nuclear Information System (INIS)

Lin, Y. H.; Chou, J. C.

2015-01-01

We investigated amorphous indium gallium zinc oxide (a-IGZO) thin film transistors (TFT_s) using different high-Κ gate dielectric materials such as silicon nitride (Si_3N_4) and aluminum oxide (Al_2O_3) at low temperature process (<300 degree) and compared them with low temperature silicon dioxide (SiO_2). The IGZO device with high-Κ gate dielectric material will expect to get high gate capacitance density to induce large amount of channel carrier and generate the higher drive current. In addition, for the integrating process of integrating IGZO device, post annealing treatment is an essential process for completing the process. The chemical reaction of the high-κ/IGZO interface due to heat formation in high-Κ/IGZO materials results in reliability issue. We also used the voltage stress for testing the reliability for the device with different high-Κ gate dielectric materials and explained the interface effect by charge band diagram.

Relaxation approximations to second-order traffic flow models by high-resolution schemes

International Nuclear Information System (INIS)

Nikolos, I.K.; Delis, A.I.; Papageorgiou, M.

2015-01-01

A relaxation-type approximation of second-order non-equilibrium traffic models, written in conservation or balance law form, is considered. Using the relaxation approximation, the nonlinear equations are transformed to a semi-linear diagonilizable problem with linear characteristic variables and stiff source terms with the attractive feature that neither Riemann solvers nor characteristic decompositions are in need. In particular, it is only necessary to provide the flux and source term functions and an estimate of the characteristic speeds. To discretize the resulting relaxation system, high-resolution reconstructions in space are considered. Emphasis is given on a fifth-order WENO scheme and its performance. The computations reported demonstrate the simplicity and versatility of relaxation schemes as numerical solvers

Nuclear magnetic relaxation of methyl group in liquids

International Nuclear Information System (INIS)

Blicharska, B.

1986-01-01

The theoretical description of the relaxation process of methyl group in liquids and some results of the measurements of relaxation function and relaxation times for cryoprotective solutions are presented. Starting from the application of the operator formalism the general equation for spin operators e.g. components of the nuclear spin and magnetization is founded. Next, the spin Hamiltonian is presented as contraction of the symmetry adapted spherical tensors as well as the correlation functions and spectral densities. On the basis of extended and modified Woessner model of motion the correlation functions and spectral densities are calculated for methyl group in liquids. Using these functions the relaxation matrix elements, the spin-spin and spin-lattice relaxation times can be expressed. The prediction of the theory agrees with author's previous experiments on cryoprotective solutions. The observed dependence on temperature, frequency and isotopic dilution in methanol-water, methanol-dimethyl sulfoxide (DMSO) and DMSO-water solutions is in a satisfactory agreement with theoretical equations. 34 refs. (author)

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

Rational design of coaxial mesoporous birnessite manganese dioxide/amorphous-carbon nanotubes arrays for advanced asymmetric supercapacitors

KAUST Repository

Zhu, Shijin; Zhang, Jie; Ma, Junjun; Zhang, Yuxin; Yao, Kexin

2015-01-01

Coaxial mesoporous MnO2/amorphous-carbon nanotubes have been synthesized via a facile and cost-effective strategy at room temperature. The coaxial double nanotubes of inner (outer) MnO2 and outer (inner) amorphous carbon can be obtained via fine tuning the preparative factors (e.g., deposition order and processing temperature). Furthermore, the electrochemical properties of the coaxial nanotubes were evaluated by cycle voltammetric (CV) and galvanostatic charge-discharge (GC) measurements. The as-prepared coaxial double nanotubes of outer MnO2 and inner amorphous carbon exhibit the optimized pseudocapacitance performance (362 F g-1) with good cycling stability, and ideal rate capability owning to the unique nanostructures. When assembled into two-electrode asymmetric supercapacitor, an energy density of 22.56 W h kg-1 at a power density of 224.9 W kg-1 is obtained. These findings provide a new and facile approach to fabricate high-performance electrode for supercapacitors.

Rational design of coaxial mesoporous birnessite manganese dioxide/amorphous-carbon nanotubes arrays for advanced asymmetric supercapacitors

KAUST Repository

Zhu, Shijin

2015-03-01

Coaxial mesoporous MnO2/amorphous-carbon nanotubes have been synthesized via a facile and cost-effective strategy at room temperature. The coaxial double nanotubes of inner (outer) MnO2 and outer (inner) amorphous carbon can be obtained via fine tuning the preparative factors (e.g., deposition order and processing temperature). Furthermore, the electrochemical properties of the coaxial nanotubes were evaluated by cycle voltammetric (CV) and galvanostatic charge-discharge (GC) measurements. The as-prepared coaxial double nanotubes of outer MnO2 and inner amorphous carbon exhibit the optimized pseudocapacitance performance (362 F g-1) with good cycling stability, and ideal rate capability owning to the unique nanostructures. When assembled into two-electrode asymmetric supercapacitor, an energy density of 22.56 W h kg-1 at a power density of 224.9 W kg-1 is obtained. These findings provide a new and facile approach to fabricate high-performance electrode for supercapacitors.

Applications in the Nuclear Industry for Thermal Spray Amorphous Metal and Ceramic Coatings

Science.gov (United States)

Blink, J.; Farmer, J.; Choi, J.; Saw, C.

2009-06-01

Amorphous metal and ceramic thermal spray coatings have been developed with excellent corrosion resistance and neutron absorption. These coatings, with further development, could be cost-effective options to enhance the corrosion resistance of drip shields and waste packages, and limit nuclear criticality in canisters for the transportation, aging, and disposal of spent nuclear fuel. Iron-based amorphous metal formulations with chromium, molybdenum, and tungsten have shown the corrosion resistance believed to be necessary for such applications. Rare earth additions enable very low critical cooling rates to be achieved. The boron content of these materials and their stability at high neutron doses enable them to serve as high efficiency neutron absorbers for criticality control. Ceramic coatings may provide even greater corrosion resistance for waste package and drip shield applications, although the boron-containing amorphous metals are still favored for criticality control applications. These amorphous metal and ceramic materials have been produced as gas-atomized powders and applied as near full density, nonporous coatings with the high-velocity oxy-fuel process. This article summarizes the performance of these coatings as corrosion-resistant barriers and as neutron absorbers. This article also presents a simple cost model to quantify the economic benefits possible with these new materials.

High-resolution electron microscopy study of electron-irradiation-induced crystalline-to-amorphous transition in α-SiC single crystals

International Nuclear Information System (INIS)

Inui, H.; Mori, H.; Sakata, T.

1992-01-01

An electron-irradiation-induced crystalline-to-amorphous (CA) transition in α-SiC has been studied by high-resolution electron microscopy (HREM). The irradiation-produced damage structure was examined as a function of dose of electrons by taking high-resolution maps extending from the unirradiated crystalline region to the completely amorphized region. In the intermediate region between those two regions, that is in the CA transition region, the damage structure was essentially a mixture of crystalline and amorphous phases. The volume fraction of the amorphous phase was found to increase with increasing dose of electrons and no discrete crystalline-amorphous interface was observed in the CA transition region. These facts indicate the heterogeneous and gradual nature of the CA transition. In the transition region close to the unirradiated crystalline region, a sort of fragmentation of the crystal lattice was observed to occur, crystallites with slightly different orientations with respect to the parent crystal were formed owing to the strain around the dispersed local amorphous regions. In the transition region close to the amorphized region, these crystallites were reduced in size and were embedded in an amorphous matrix. This damage structure is the result of the increased volume fraction of the amorphous phase. In the completely amorphized region, no lattice fringes were recognized in the HREM images. The atomistic process of the CA transition is discussed on the basis of the present results and those from previous studies. (Author)

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)

{sup 2}H-NMR study of amorphous and crystalline high pressure ice phases; {sup 2}H-NMR-Untersuchungen an amorphen und kristallinen Hochdruckeisphasen

Energy Technology Data Exchange (ETDEWEB)

Scheuermann, Marco

2008-10-27

The objective of this work was to produce different high pressure ice phases and measure them at ambient pressure. Temperature dependent relaxation measurements were performed for the first time. All three amorphous ices differ significantly in their temperature dependent T1-values. Applying a heating rate of 1 K/h the transformation of HDA into LDA takes place at a temperature of 105 K. By contrast, warming up VHDA to temperatures above 105 K leads to a relaxed form with relaxation times that resemble the values of HDA. This modification eventually transforms into LDA at 115 K. Our data analysis indicates that this intermediate state is not an inhomogeneous mixture of VHDA and LDA, suggesting that the VHDA/LDA transition is not of a simple first order type. In ice II relaxation measurements and stimulated echo experiments were performed for the first time. The observed temperature of the transition from ice II to cubic ice, 145 K, is consistent with literature data, considering our heating rate of about 1 K/day. The relaxation curves show a bimodal evolution. This is not due to structural heterogeneities, because additional X-ray diffraction measurements exclude a contamination of our samples with other ice phases. The slow relaxing component displays no temperature dependence. The time constant of the fast component reveals Arrhenius-like behaviour, although the activation energy is only 2 kJ/mol. Such a small value can not be attributed to reorientation dynamics as the origin of relaxation in ice II. The decay of the stimulated echo is only about one order of magnitude faster than the decay due to spin-lattice relaxation. The resulting correlation time is temperature independent. Hence, the loss of correlation can not be due to molecular dynamics. But it could stem from spin diffusion, which is known to induce frequency shifts of individual spins in deuteron systems. This interpretation is supported by the analysis of the geometry of the underlying process. The

Isothermal relaxation current and microstructure changes of thermally aged polyester films impregnated by epoxy resin

Science.gov (United States)

Jiang, Xiongwei; Sun, Potao; Peng, Qingjun; Sima, Wenxia

2018-01-01

In this study, to understand the effect of thermal aging on polymer films degradation, specimens of polyester films impregnated by epoxy resin with different thermal aging temperatures (80 and 130 °C) and aging times (500, 1600, 2400 and 3000 h) are prepared, then charge de-trapping properties of specimens are investigated via the isothermal relaxation current (IRC) measurement, the distributions of trap level and its corresponding density are obtained based on the modified IRC model. It is found that the deep trap density increases remarkably at the beginning of thermal aging (before 1600 h), but it decreases obviously as the aging degree increases. At elevated aging temperature and, in particular considering the presence of air gap between two-layer insulation, the peak densities of deep traps decrease more significant in the late period of aging. It can be concluded that it is the released energy from de-trapping process leads to the fast degradation of insulation. Moreover, after thermal aging, the microstructure changes of crystallinity and molecular structures are analyzed via the x-ray diffraction experiment and Fourier transform infrared spectrometer. The results indicate that the variation of the deep trap density is closely linked with the changes of microstructure, a larger interface of crystalline/amorphous phase, more defects and broken chains caused by thermal aging form higher deep trap density stored in the samples.

Determination of properties of high temperature superconductors and amorphous metallic alloys using positron annihilation techniques. Final report for the period 15 January 1992 - 15 July 1995

International Nuclear Information System (INIS)

Kristiak, J.

1995-11-01

The positron lifetime results obtained on amorphous thermally treated Ni 25 Zr 55 Al 20 alloy indicate that positrons annihilate at places with different properties. The observed shifts of positron lifetime distribution were analyzed in the terms of a relaxation of free-volume, i.e. chemical (CSRO) and topological (TSRO) short range ordering. The upper limit of the activation energy of CSRO and TSRO relaxation was determined to be 2.2eV and 2.6eV, respectively. Positron lifetime τ and Doppler broadening of the annihilation line measurements on very pure C 60 sample as a function of temperature between 120 and 300 K have been reported. A rapid change of τ was observed between 240 and 250 K. This results indicate that the lattice from C 60 molecules is undergoing a phase transition and the phases coexist over an ∼ 10K range. The annihilation of positrons in amorphous tetramethylpoly-carbonate has been investigated in the temperature range from 30 to 300 K. The observed dependences of the mean lifetime of oPs and its relative intensity 1 on temperature were interpreted within the framework of the microstructural free-volume concept. The man radius of free space (hole) was deduced to be around 3,1.10 -10 m. Refs, figs, tabs

First-principles study of the amorphous In3SbTe2 phase change compound

Science.gov (United States)

Los, Jan H.; Kühne, Thomas D.; Gabardi, Silvia; Bernasconi, Marco

2013-11-01

Ab initio molecular dynamics simulations based on density functional theory were performed to generate amorphous models of the phase change compound In3SbTe2 by quenching from the melt. In-Sb and In-Te are the most abundant bonds with only a minor fraction of Sb-Te bonds. The bonding geometry in the amorphous phase is, however, strongly dependent on the density in the range 6.448-5.75 g/cm3 that we investigated. While at high density the bonding geometry of In atoms is mostly octahedral-like as in the cubic crystalline phase of the ternary compound In3SbTe2, at low density we observed a sizable fraction of tetrahedral-like geometries similar to those present in the crystalline phase of the two binary compounds InTe and InSb that the ternary system can be thought to be made of. We show that the different ratio between octahedral-like and tetrahedral-like bonding geometries has fingerprints in the optical and vibrational spectra.

In-situ determination of electronic surface and volume defect density of amorphous silicon (a-Si:H) and silicon alloys

International Nuclear Information System (INIS)

Siebke, F.

1992-07-01

The density of localized gap states in the bulk and in the near-surface region of amorphous hydrogenated silicon (a-Si:H) was measured for non oxidized undoped, B-doped and P-doped samples as well as for films with low carbon (C) and germanium (Ge) content. Also the influence of light soaking on the bulk and surface density of states was investigated. The samples were prepared by rf glow discharge in an UHV-system at substrate temperatures between 100degC and 400degC and transferred to the analysis chamber by a vacuum lock. We combined the constant photocurrent method (CPM) and the total-yield photoelectron spectroscopy (TY) to obtain in-situ information about the defect densities. While the first method yields information about the density of states in the bulk, the other method obtains the density of occupied states in the near-surface region. The mean information depth of the TY-measurements is limited by the escape lenght of photoelectrons and can be estimated to 5 nm. In addition to the defect density the position of the Fermi energy was determined for the bulk by dark conductivity measurements and at the surface using a calibrated Kelvin probe. (orig.)

The influence of measurement and relaxation time on flux jumps in high temperature superconductors

International Nuclear Information System (INIS)

Yang Xiaobin; Zhou Youhe; Tu Shandong

2010-01-01

The influence of the magnetization and relaxation time on flux jumps in high temperature superconductors (HTSC) under varying magnetic field is studied using the fundamental electromagnetic field equations and the thermal diffusion equation; temperature variety corresponding to flux jump is also discussed. We find that for a low sweep rate of the applied magnetic field, the measurement and relaxation times can reduce flux jump and to constrain the number of flux jumps, even stabilizing the HTSC, since much heat produced by the motion of magnetic flux can transfer into coolant during the measurement and relaxation times. As high temperature superconductors are subjected to a high sweep rate or a strong pulsed magnetic field, magnetization undergoes from stability or oscillation to jump for different pause times. And the period of temperature oscillation is equal to the measurement and relaxation time.

Fluxing purification and its effect on magnetic properties of high-B{sub s} FeBPSiC amorphous alloy

Energy Technology Data Exchange (ETDEWEB)

Pang, Jing [School of Materials Science and Engineering, Shenyang University of Technology, Shenyang, Liaoning 110870 (China); Wang, Anding, E-mail: anding@nimte.ac.cn [Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China); Center for Advanced Structural Materials, Department of Mechanical and Biomedical Engineering, College of Science and Engineering, City University of Hong Kong, Kowloon, Hong Kong (China); Yue, Shiqiang [Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China); Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Kong, Fengyu [School of Materials and Chemical Engineering, Ningbo University of Technology, Ningbo 315016 (China); Qiu, Keqiang, E-mail: kqqiu@163.com [School of Materials Science and Engineering, Shenyang University of Technology, Shenyang, Liaoning 110870 (China); Chang, Chuntao; Wang, Xinmin [Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang 315201 (China); Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201 (China); Liu, Chain-Tsuan, E-mail: chainliu@cityu.edu.hk [Center for Advanced Structural Materials, Department of Mechanical and Biomedical Engineering, College of Science and Engineering, City University of Hong Kong, Kowloon, Hong Kong (China)

2017-07-01

Highlights: • Surface crystallization in Fe{sub 83}B{sub 11}P{sub 3}Si{sub 2}C{sub 1} ribbon was inhibited by flux purification. • Amorphous Fe{sub 83}B{sub 11}P{sub 3}Si{sub 2}C{sub 1} ribbon was made with industrial process and materials. • The ribbons exhibit high B{sub s} of 1.65 T, low H{sub c} of 2 A/m, and high μ{sub e} of 9.7 × 10{sup 3}. • High melting point inclusions trigger the surface crystallization as nuclei. - Abstract: A high-B{sub s} amorphous alloy with the base composition Fe{sub 83}B{sub 11}P{sub 3}Si{sub 2}C{sub 1} was used to study the effects of fluxing purification on amorphous forming ability and magnetic properties of the alloy prepared with raw materials in industrialization. By using fluxing purification, the surface crystallization was suppressed and fully amorphous Fe{sub 83}B{sub 11}P{sub 3}Si{sub 2}C{sub 1} ribbons with a maximum thickness of 48 μm were successfully achieved by using an industrial process and materials. The amorphous ribbons made with industrial-purified alloys exhibit excellent magnetic properties, containing high-B{sub s} of 1.65 T, low H{sub c} of 2.0 A/m, and high μ{sub e} of 9.7 × 10{sup 3} at 1 kHz. Impurities in the melting alloys exist in three forms and have different effluences on magnetic properties. The surface crystallization was triggered by the impurities which exist as high melting point inclusions serving as nuclei. Thus, fluxing purification is a feasible way for industrialization of high-B{sub s} FeBPSiC amorphous alloys.

Study on Relaxation Damage Properties of High Viscosity Asphalt Sand under Uniaxial Compression

Directory of Open Access Journals (Sweden)

Yazhen Sun

2018-01-01

Full Text Available Laboratory investigations of relaxation damage properties of high viscosity asphalt sand (HVAS by uniaxial compression tests and modified generalized Maxwell model (GMM to simulate viscoelastic characteristics coupling damage were carried out. A series of uniaxial compression relaxation tests were performed on HVAS specimens at different temperatures, loading rates, and constant levels of input strain. The results of the tests show that the peak point of relaxation modulus is highly influenced by the loading rate in the first half of an L-shaped curve, while the relaxation modulus is almost constant in the second half of the curve. It is suggested that for the HVAS relaxation tests, the temperature should be no less than −15°C. The GMM is used to determine the viscoelastic responses, the Weibull distribution function is used to characterize the damage of the HVAS and its evolution, and the modified GMM is a coupling of the two models. In this paper, the modified GMM is implemented through a secondary development with the USDFLD subroutine to analyze the relaxation damage process and improve the linear viscoelastic model in ABAQUS. Results show that the numerical method of coupling damage provides a better approximation of the test curve over almost the whole range. The results also show that the USDFLD subroutine can effectively predict the relaxation damage process of HVAS and can provide a theoretical support for crack control of asphalt pavements.

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.

The energy landscape of glassy dynamics on the amorphous hafnium diboride surface

International Nuclear Information System (INIS)

Nguyen, Duc; Girolami, Gregory S.; Mallek, Justin; Cloud, Andrew N.; Abelson, John R.; Lyding, Joseph; Gruebele, Martin

2014-01-01

Direct visualization of the dynamics of structural glasses and amorphous solids on the sub-nanometer scale provides rich information unavailable from bulk or conventional single molecule techniques. We study the surface of hafnium diboride, a conductive ultrahigh temperature ceramic material that can be grown in amorphous films. Our scanning tunneling movies have a second-to-hour dynamic range and single-point current measurements extend that to the millisecond-to-minute time scale. On the a-HfB 2 glass surface, two-state hopping of 1–2 nm diameter cooperatively rearranging regions or “clusters” occurs from sub-milliseconds to hours. We characterize individual clusters in detail through high-resolution (<0.5 nm) imaging, scanning tunneling spectroscopy and voltage modulation, ruling out individual atoms, diffusing adsorbates, or pinned charges as the origin of the observed two-state hopping. Smaller clusters are more likely to hop, larger ones are more likely to be immobile. HfB 2 has a very high bulk glass transition temperature T g , and we observe no three-state hopping or sequential two-state hopping previously seen on lower T g glass surfaces. The electronic density of states of clusters does not change when they hop up or down, allowing us to calibrate an accurate relative z-axis scale. By directly measuring and histogramming single cluster vertical displacements, we can reconstruct the local free energy landscape of individual clusters, complete with activation barrier height, a reaction coordinate in nanometers, and the shape of the free energy landscape basins between which hopping occurs. The experimental images are consistent with the compact shape of α-relaxors predicted by random first order transition theory, whereas the rapid hopping rate, even taking less confined motion at the surface into account, is consistent with β-relaxations. We make a proposal of how “mixed” features can show up in surface dynamics of glasses

Amorphous intergranular films in silicon nitride ceramics quenched from high temperatures

International Nuclear Information System (INIS)

Cinibulk, M.K.; Kleebe, H.; Schneider, G.A.; Ruehle, M.

1993-01-01

High-temperature microstructure of an MgO-hot-pressed Si 3 N 4 and a Yb 2 O 3 + Al 2 O 3 -sintered/annealed Si 3 N 4 were obtained by quenching thin specimens from temperatures between 1,350 and 1,550 C. Quenching materials from 1,350 C produced no observable exchanges in the secondary phases at triple-grain junctions or along grain boundaries. Although quenching from temperatures of ∼1,450 C also showed no significant changes in the general microstructure or morphology of the Si 3 N 4 grains, the amorphous intergranular film thickness increased substantially from an initial ∼1 nm in the slowly cooled material to 1.5--9 nm in the quenched materials. The variability of film thickness in a given material suggests a nonequilibrium state. Specimens quenched from 1,550 C revealed once again thin (1-nm) intergranular films at all high-angle grain boundaries, indicating an equilibrium condition. The changes observed in intergranular-film thickness by high-resolution electron microscopy can be related to the eutectic temperature of the system and to diffusional and viscous processes occurring in the amorphous intergranular film during the high-temperature anneal prior to quenching

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.

Effect of gamma irradiation on density and thermal expansion changes of uniaxial oriented LLDPE

International Nuclear Information System (INIS)

Kacarevic-Popovic, Z.; Kostoski, D.; Novakovic, Lj.

1998-01-01

Complete text of publication follows. It is well known that gamma irradiation induces cross-linking in the amorphous phase of isotropic polyethylene, or chain scission in highly oriented fibers and films. Thermomechanical behavior and values of density are the reflection of the changes induced by gamma irradiation. Namely, scission of macromolecules, in general, increases thermal expansion coefficient and decreases density and vice versa. On the other hand, as it is well known, the thermal expansion behavior of oriented polymers shows marked anisotropy. It was found that many highly oriented polymers show a negative coefficient of thermal expansion in the draw direction and a positive coefficient in the transverse direction. It has been suggested that, apart from any intrinsic crystalline contribution, a significant part of the negative thermal expansion coefficients obtained for highly oriented polymers arises from the effect of entropy internal stresses in the amorphous regions. From our previous work, the thermal coefficients in draw direction of irradiated samples rise in the glass transition temperature range and it was related to the effects of cross-linking in the amorphous phase of LDPE. In our present work we observed initial decrease in density with absorbed dose, up to 35 kGy, and subsequent increase up to a dose of 500 kGy. The observed increase in thermal expansion coefficient followed the changes in density and is related to the parallel processes of chain scission and net cross-linking in the amorphous phase of LLDPE, induced by gamma irradiation

Grid Cell Relaxation Effects on the High Frequency Vibration Characteristics

International Nuclear Information System (INIS)

Ryu, Joo-Young; Eom, Kyong-Bo; Jeon, Sang-Youn; Kim, Jae-Ik

2015-01-01

The plate structure of the grid of fuel assembly is always exposed to serious vortex induced vibration. Also, High Frequency flow induced Vibration (HFV) is primarily generated by vortex-shedding effect. When it comes to grid design as a fuel assembly component, HFV should be considered in advance since it is one of the critical factors. Excessive HFV has a possibility of making degradation of the fuel reliability that is directly related to the fuel robustness and operating performance. KEPCO NF (KNF) has performed HFV tests with various grid designs. While studying the HFV characteristics through the HFV tests, it has been observed that HFV amplitudes show different levels according to grid cell relaxation. It means that the testing could give different interpretations due to the condition of grid cell. Since the amount of relaxation is different under operating conditions and environments in a reactor, test specimens should be modified as much as possible to the real state of the fuel. Therefore, in order to consider the grid cell relaxation effects on the HFV tests, it is important to use cell sized or non-cell sized grids. The main focus of this study is to find out how the HFV characteristics such as amplitude and frequency are affected by grid cell relaxation. Three cases of the grid cell sized specimen which is nickel alloy were prepared and tested. Through the comparison of the test results, it could be concluded that HFV amplitudes show decreasing trend according to the grid cell relaxation in the case of nickel alloy grid. It is also possible to expect the tendency of grid cell relaxation of a zirconium alloy grid based on test results

Study of a decaying helium plasma having a high neutral particle density; Etude d'un plasma d'helium, a forte densite de neutres, en regime de relaxation

Energy Technology Data Exchange (ETDEWEB)

Deloche, R [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1968-07-01

We have shown theoretically, in a high pressure, decaying helium plasma, the effect at low energy of inelastic collisions between neutral particles on the population densities of excited molecules and electron-ion recombination coefficient. The formalism of Bates (1962) has been used, taking into account simultaneously collisional mechanisms with electrons, collisional mechanisms with neutrals and radiative processes. The variation of the population densities and electron-ion recombination coefficient with respect to the pressure is given for different values of electron density and temperature. These theoretical results indicate an effect of pressure large enough to be measured and allow us to define the most favorable experimental conditions. (author) [French] L'effet des collisions inelastiques entre particules neutres dans un plasma d'helium, en regime de relaxation, a basse temperature electronique et forte densite de neutres, a ete mis en evidence, theoriquement, aussi bien dans le calcul des densites de population des molecules excitees que dans la determination du coefficient de recombinaison electron-ion. Nous avons utilise le formalisme de Bates (1962) en tenant compte simultanement des mecanismes collisionnels avec les electrons, des mecanismes collisionnels avec les neutres et des phenomenes radiatifs. La variation des densites de population et du coefficient de recombinaison electron-ion en fonction de la pression est donnee pour differentes valeurs de la densite electronique et de la temperature. Ces resultats theoriques laissent prevoir un effet de la pression suffisamment important pour qu'il puisse etre mesure et permettent de definir les conditions experimentales les plus favorables. (auteur)

Industrialization of nanocrystalline Fe–Si–B–P–Cu alloys for high magnetic flux density cores

International Nuclear Information System (INIS)

Takenaka, Kana; Setyawan, Albertus D.; Sharma, Parmanand; Nishiyama, Nobuyuki; Makino, Akihiro

2016-01-01

Nanocrystalline Fe–Si–B–P–Cu alloys exhibit high saturation magnetic flux density (B s ) and extremely low magnetic core loss (W), simultaneously. Low amorphous-forming ability of these alloys hinders their application potential in power transformers and motors. Here we report a solution to this problem. Minor addition of C is found to be effective in increasing the amorphous-forming ability of Fe–Si–B–P–Cu alloys. It allows fabrication of 120 mm wide ribbons (which was limited to less than 40 mm) without noticeable degradation in magnetic properties. The nanocrystalline (Fe 85.7 Si 0.5 B 9.5 P 3.5 Cu 0.8 ) 99 C 1 ribbons exhibit low coercivity (H c )~4.5 A/m, high B s ~1.83 T and low W~0.27 W/kg (@ 1.5 T and 50 Hz). Success in fabrication of long (60–100 m) and wide (~120 mm) ribbons, which are made up of low cost elements is promising for mass production of energy efficient high power transformers and motors - Highlights: • Minor addition of C in FeSiBPCu alloy increases amorphous-forming ability. • The FeSiBPCuC alloy exhibits B s close to Si-steel and Core loss lower than it. • Excellent soft magnetic properties were obtained for 120 mm wide ribbons. • Nanocrystalline FeSiBPCuC alloy can be produced at industrial scale with low cost. • The alloy is suitable for making low energy loss power transformers and motors.

Structure-property relations in amorphous carbon for photovoltaics

International Nuclear Information System (INIS)

Risplendi, Francesca; Cicero, Giancarlo; Bernardi, Marco; Grossman, Jeffrey C.

2014-01-01

Carbon is emerging as a material with great potential for photovoltaics (PV). However, the amorphous form (a-C) has not been studied in detail as a PV material, even though it holds similarities with amorphous Silicon (a-Si) that is widely employed in efficient solar cells. In this work, we correlate the structure, bonding, stoichiometry, and hydrogen content of a-C with properties linked to PV performance such as the electronic structure and optical absorption. We employ first-principles molecular dynamics and density functional theory calculations to generate and analyze a set of a-C structures with a range of densities and hydrogen concentrations. We demonstrate that optical and electronic properties of interest in PV can be widely tuned by varying the density and hydrogen content. For example, sunlight absorption in a-C films can significantly exceed that of a same thickness of a-Si for a range of densities and H contents in a-C. Our results highlight promising features of a-C as the active layer material of thin-film solar cells.

Structure-property relations in amorphous carbon for photovoltaics

Energy Technology Data Exchange (ETDEWEB)

Risplendi, Francesca; Cicero, Giancarlo [Dipartimento di Scienza Applicata e Tecnologia, Politecnico di Torino, 10129 Torino (Italy); Bernardi, Marco [Department of Physics, University of California, Berkeley, California 94720 (United States); Grossman, Jeffrey C., E-mail: jcg@mit.edu [Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)

2014-07-28

Carbon is emerging as a material with great potential for photovoltaics (PV). However, the amorphous form (a-C) has not been studied in detail as a PV material, even though it holds similarities with amorphous Silicon (a-Si) that is widely employed in efficient solar cells. In this work, we correlate the structure, bonding, stoichiometry, and hydrogen content of a-C with properties linked to PV performance such as the electronic structure and optical absorption. We employ first-principles molecular dynamics and density functional theory calculations to generate and analyze a set of a-C structures with a range of densities and hydrogen concentrations. We demonstrate that optical and electronic properties of interest in PV can be widely tuned by varying the density and hydrogen content. For example, sunlight absorption in a-C films can significantly exceed that of a same thickness of a-Si for a range of densities and H contents in a-C. Our results highlight promising features of a-C as the active layer material of thin-film solar cells.

A zero density change phase change memory material: GeTe-O structural characteristics upon crystallisation.

Science.gov (United States)

Zhou, Xilin; Dong, Weiling; Zhang, Hao; Simpson, Robert E

2015-06-11

Oxygen-doped germanium telluride phase change materials are proposed for high temperature applications. Up to 8 at.% oxygen is readily incorporated into GeTe, causing an increased crystallisation temperature and activation energy. The rhombohedral structure of the GeTe crystal is preserved in the oxygen doped films. For higher oxygen concentrations the material is found to phase separate into GeO2 and TeO2, which inhibits the technologically useful abrupt change in properties. Increasing the oxygen content in GeTe-O reduces the difference in film thickness and mass density between the amorphous and crystalline states. For oxygen concentrations between 5 and 6 at.%, the amorphous material and the crystalline material have the same density. Above 6 at.% O doping, crystallisation exhibits an anomalous density change, where the volume of the crystalline state is larger than that of the amorphous. The high thermal stability and zero-density change characteristic of Oxygen-incorporated GeTe, is recommended for efficient and low stress phase change memory devices that may operate at elevated temperatures.

Properties of p-type amorphous silicon carbide window layers prepared using boron trifluoride

Energy Technology Data Exchange (ETDEWEB)

Gandia, J J [Inst. de Energias Renovables, CIEMAT, Madrid (Spain); Gutierrez, M T [Inst. de Energias Renovables, CIEMAT, Madrid (Spain); Carabe, J [Inst. de Energias Renovables, CIEMAT, Madrid (Spain)

1993-03-01

One set (A) of undoped and three sets (B, C and D) of doped hydrogenated amorphous silicon carbide samples have been made in the framework of a research plan for obtaining high quality p-type window layers by radiofrequency glow discharge of silane-based gas mixtures. The samples of sets A and B were made using different RF-power-density to mass-flow ratios for various methane percentages in the gas mixture. The best carbon incorporation in the amorphous silicon lattice was obtained at the highest RF-power density. The properties of sets C and D, prepared using different RF-power densities and silane and methane proportions have been analysed as functions of the concentration of boron trifluoride with respect to silane. In both cases, the optical gap E[sub G], after a slight initial decrease, remains at a value of approximately 2.1 eV without quenching in the doping ranges covered. The best conductivity obtained is 2x10[sup -7] ([Omega] cm)[sup -1]. IR spectra allow to associate these features with the structural quality of the films. (orig.)

High strength nanostructured Al-based alloys through optimized processing of rapidly quenched amorphous precursors.

Science.gov (United States)

Kim, Song-Yi; Lee, Gwang-Yeob; Park, Gyu-Hyeon; Kim, Hyeon-Ah; Lee, A-Young; Scudino, Sergio; Prashanth, Konda Gokuldoss; Kim, Do-Hyang; Eckert, Jürgen; Lee, Min-Ha

2018-01-18

We report the methods increasing both strength and ductility of aluminum alloys transformed from amorphous precursor. The mechanical properties of bulk samples produced by spark-plasma sintering (SPS) of amorphous Al-Ni-Co-Dy powders at temperatures above 673 K are significantly enhanced by in-situ crystallization of nano-scale intermetallic compounds during the SPS process. The spark plasma sintered Al 84 Ni 7 Co 3 Dy 6 bulk specimens exhibit 1433 MPa compressive yield strength and 1773 MPa maximum strength together with 5.6% plastic strain, respectively. The addition of Dy enhances the thermal stability of primary fcc Al in the amorphous Al-TM -RE alloy. The precipitation of intermetallic phases by crystallization of the remaining amorphous matrix plays important role to restrict the growth of the fcc Al phase and contributes to the improvement of the mechanical properties. Such fully crystalline nano- or ultrafine-scale Al-Ni-Co-Dy systems are considered promising for industrial application because their superior mechanical properties in terms of a combination of very high room temperature strength combined with good ductility.

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

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

Synthesis of nano-sized amorphous boron powders through active dilution self-propagating high-temperature synthesis method

Energy Technology Data Exchange (ETDEWEB)

Wang, Jilin [The State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Gu, Yunle [School of Material Science and Engineering, Wuhan Institute of Technology, Wuhan 430073 (China); Li, Zili [The State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Wang, Weimin, E-mail: wangwm@hotmail.com [The State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China); Fu, Zhengyi [The State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070 (China)

2013-06-01

Graphical abstract: Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis (SHS) method. The effects of endothermic reaction rate, the possible chemical reaction mechanism and active dilution model for synthesis of the product were also discussed. Highlights: ► Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis method. ► The morphology, particle size and purity of the samples could be effectively controlled via changing the endothermic rate. ► The diluter KBH{sub 4} played an important role in active dilution synthesis of amorphous nano-sized boron powders. ► The active dilution method could be further popularized and become a common approach to prepare various inorganic materials. - Abstract: Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis (SHS) method at temperatures ranging from 700 °C to 850 °C in a SHS furnace using Mg, B{sub 2}O{sub 3} and KBH{sub 4} as raw materials. Samples were characterized by X-ray powder diffraction (XRD), Laser particle size analyzer, Fourier transform infrared spectra (FTIR), X-ray energy dispersive spectroscopy (EDX), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high-resolution transmission TEM (HRTEM). The boron powders demonstrated an average particle size of 50 nm with a purity of 95.64 wt.%. The diluter KBH{sub 4} played an important role in the active dilution synthesis of amorphous nano-sized boron powders. The effects of endothermic reaction rate, the possible chemical reaction mechanism and active dilution model for synthesis of the product were also discussed.

Synthesis of nano-sized amorphous boron powders through active dilution self-propagating high-temperature synthesis method

International Nuclear Information System (INIS)

Wang, Jilin; Gu, Yunle; Li, Zili; Wang, Weimin; Fu, Zhengyi

2013-01-01

Graphical abstract: Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis (SHS) method. The effects of endothermic reaction rate, the possible chemical reaction mechanism and active dilution model for synthesis of the product were also discussed. Highlights: ► Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis method. ► The morphology, particle size and purity of the samples could be effectively controlled via changing the endothermic rate. ► The diluter KBH 4 played an important role in active dilution synthesis of amorphous nano-sized boron powders. ► The active dilution method could be further popularized and become a common approach to prepare various inorganic materials. - Abstract: Nano-sized amorphous boron powders were synthesized by active dilution self-propagating high-temperature synthesis (SHS) method at temperatures ranging from 700 °C to 850 °C in a SHS furnace using Mg, B 2 O 3 and KBH 4 as raw materials. Samples were characterized by X-ray powder diffraction (XRD), Laser particle size analyzer, Fourier transform infrared spectra (FTIR), X-ray energy dispersive spectroscopy (EDX), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high-resolution transmission TEM (HRTEM). The boron powders demonstrated an average particle size of 50 nm with a purity of 95.64 wt.%. The diluter KBH 4 played an important role in the active dilution synthesis of amorphous nano-sized boron powders. The effects of endothermic reaction rate, the possible chemical reaction mechanism and active dilution model for synthesis of the product were also discussed

Modeling the Coupled Chemo-Thermo-Mechanical Behavior of Amorphous Polymer Networks.

Energy Technology Data Exchange (ETDEWEB)

Zimmerman, Jonathan A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Nguyen, Thao D. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Xiao, Rui [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

2015-02-01

Amorphous polymers exhibit a rich landscape of time-dependent behavior including viscoelasticity, structural relaxation, and viscoplasticity. These time-dependent mechanisms can be exploited to achieve shape-memory behavior, which allows the material to store a programmed deformed shape indefinitely and to recover entirely the undeformed shape in response to specific environmental stimulus. The shape-memory performance of amorphous polymers depends on the coordination of multiple physical mechanisms, and considerable opportunities exist to tailor the polymer structure and shape-memory programming procedure to achieve the desired performance. The goal of this project was to use a combination of theoretical, numerical and experimental methods to investigate the effect of shape memory programming, thermo-mechanical properties, and physical and environmental aging on the shape memory performance. Physical and environmental aging occurs during storage and through exposure to solvents, such as water, and can significantly alter the viscoelastic behavior and shape memory behavior of amorphous polymers. This project – executed primarily by Professor Thao Nguyen and Graduate Student Rui Xiao at Johns Hopkins University in support of a DOE/NNSA Presidential Early Career Award in Science and Engineering (PECASE) – developed a theoretical framework for chemothermo- mechanical behavior of amorphous polymers to model the effects of physical aging and solvent-induced environmental factors on their thermoviscoelastic behavior.

Classical molecular dynamics and quantum ab-initio studies on lithium-intercalation in interconnected hollow spherical nano-spheres of amorphous silicon

Energy Technology Data Exchange (ETDEWEB)

Bhowmik, A. [Atomic Scale Modelling and Materials, Department of Energy Conversion and Storage, Technical University of Denmark, Rios Campus, Frederiksborgvej 399, DK-4000 Roskilde (Denmark); Malik, R. [Department of Metallurgical and Materials Engineering, Indian Institute of Technology Kharagpur, 721302 (India); Prakash, S. [Defense Metallurgical Research Laboratory, Hyderabad (India); Sarkar, T.; Bharadwaj, M.D. [Center for Study of Science Technology and Policy, Bangalore 560094 (India); Aich, S. [Department of Metallurgical and Materials Engineering, Indian Institute of Technology Kharagpur, 721302 (India); Ghosh, S., E-mail: sudipto@metal.iitkgp.ernet.in [Department of Metallurgical and Materials Engineering, Indian Institute of Technology Kharagpur, 721302 (India)

2016-04-25

A high concentration of lithium, corresponding to charge capacity of ∼4200 mAh/g, can be intercalated in silicon. Unfortunately, due to high intercalation strain leading to fracture and consequent poor cyclability, silicon cannot be used as anode in lithium ion batteries. But recently interconnected hollow nano-spheres of amorphous silicon have been found to exhibit high cyclability. The absence of fracture upon lithiation and the high cyclability has been attributed to reduction in intercalation stress due to hollow spherical geometry of the silicon nano-particles. The present work argues that the hollow spherical geometry alone cannot ensure the absence of fracture. Using classical molecular dynamics and density functional theory based simulations; satisfactory explanation to the absence of fracture has been explored at the atomic scale. - Highlights: • Interconnected nanoshells of amorphous Si: best available lithium ion cell anode. • High cycle life not understood in the light of poor K{sub IC} of amorphous Si. • MD reveals: atomic density of interconnected structure is ∼16% less than bulk Si. • Leads to drastic reduction (DFT) in lithiation σ & metal like e{sup −} structure (high K{sub IC}). • Lowering of lithiation σ and increase in K{sub IC} result in high cycle life.

Microplastic relaxations of single and polycrystalline molybdenum

Energy Technology Data Exchange (ETDEWEB)

Pichl, W.; Weiss, B. [Wien Univ. (Austria). Inst. fuer Materialphysik; Chen, D.L.

1998-05-01

The microplasticity of high-purity molybdenum single crystals and of Mo polycrystals of technical purity has been investigated by relaxation step tests in uniaxial compression. A new model for the evaluation of relaxation tests in the microplastic range of b.c.c metals is presented which takes into account the decrease of the mobile dislocation density due to exhaustion of non-screw dislocations. The model allows an independent determination of the activation volume and of the microstructure parameters controlling dislocation exhaustion. The results indicate that in the high-purity single crystals the deformation rate is controlled by interactions of non-screw dislocations with the grown-in network. In the polycrystals additional interactions with impurity atoms seem to occur. In the single crystals the activity and subsequent exhaustion of two different glide systems was observed, followed by a gradual onset of screw dislocation motion. (orig.) 26 refs.

Amorphous-tetrahedral diamondlike carbon layered structures resulting from film growth energetics

Science.gov (United States)

Siegal, M. P.; Barbour, J. C.; Provencio, P. N.; Tallant, D. R.; Friedmann, T. A.

1998-08-01

High-resolution transmission electron microscopy (HRTEM) shows that amorphous-tetrahedral diamondlike carbon (a-tC) films grown by pulsed-laser deposition on Si(100) consist of three-to-four layers, depending on the growth energetics. We estimate the density of each layer using both HRTEM image contrast and Rutherford backscattering spectrometry. The first carbon layer and final surface layer have relatively low density. The bulk of the film between these two layers has higher density. For films grown under the most energetic conditions, there exists a superdense a-tC layer between the interface and bulk layers. The density of all four layers, and the thickness of the surface and interfacial layers, correlate well with the energetics of the depositing carbon species.

Relaxation Dynamics of Nanoparticle-Tethered Polymer Chains

KAUST Repository

Kim, Sung A

2015-09-08

© 2015 American Chemical Society. Relaxation dynamics of nanoparticle-tethered cis-1,4-polyisoprene (PI) are investigated using dielectric spectroscopy and rheometry. A model system composed of polymer chains densely grafted to spherical SiO2 nanoparticles to form self-suspended suspensions facilitates detailed studies of slow global chain and fast segmental mode dynamics under surface and geometrical confinement-from experiments performed in bulk materials. We report that unentangled polymer molecules tethered to nanoparticles relax far more slowly than their tethered entangled counterparts. Specifically, at fixed grafting density we find, counterintuitively, that increasing the tethered polymer molecular weight up to values close to the entanglement molecular weight speeds up chain relaxation dynamics. Decreasing the polymer grafting density for a fixed molecular weight has the opposite effect: it dramatically slows down chain relaxation, increases interchain coupling, and leads to a transition in rheological response from simple fluid behavior to viscoelastic fluid behavior for tethered PI chains that are unentangled by conventional measures. Increasing the measurement temperature produces an even stronger elastic response and speeds up molecular relaxation at a rate that decreases with grafting density and molecular weight. These observations are discussed in terms of chain confinement driven by crowding between particles and by the existence of an entropic attractive force produced by the space-filling constraint on individual chains in a self-suspended material. Our results indicate that the entropic force between densely grafted polymer molecules couples motions of individual chains in an analogous manner to reversible cross-links in associating polymers.

Amorphous-polycrystal transition induced by laser pulse in self-ion implanted silicon

International Nuclear Information System (INIS)

Foti, G.; Rimini, E.; Vitali, G.; Bertolotti, M.

1977-01-01

Reflection high energy electron diffraction has been used to investigate the amorphous to polycrystalline structure transition in silicon induced by laser pulse. The power density of the ruby laser pulse, in the free generation mode, has been maintained below the threshold to induce surface damage. Depth analysis has been carried out in silicon crystal using the channeling effect technique. (orig.) [de

Vibrational relaxation in liquids: Comparisons between gas phase and liquid phase theories

International Nuclear Information System (INIS)

Russell, D.J.

1990-12-01

The vibrational relaxation of iodine in liquid xenon was studied to understand what processes are important in determining the density dependence of the vibrational relaxation. This examination will be accomplished by taking simple models and comparing the results to both experimental outcomes and the predictions of molecular dynamics simulations. The vibration relaxation of iodine is extremely sensitive to the iodine potential. The anharmonicity of iodine causes vibrational relaxation to be much faster at the top of the iodine well compared to the vibrational relaxation at the bottom. A number of models are used in order to test the ability of the Isolated Binary Collision theory's ability to predict the density dependence of the vibrational relaxation of iodine in liquid xenon. The models tested vary from the simplest incorporating only the fact that the solvent occupies volume to models that incorporate the short range structure of the liquid in the radial distribution function. None of the models tested do a good job of predicting the actual relaxation rate for a given density. This may be due to a possible error in the choice of potentials to model the system

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...

Electrodeposition of amorphous Ni-P coatings onto Nd-Fe-B permanent magnet substrates

Energy Technology Data Exchange (ETDEWEB)

Ma, C.B [Department of Chemistry, Yuquan campus, Zhejiang University, Hangzhou 310027 (China); Cao, F.H [Department of Chemistry, Yuquan campus, Zhejiang University, Hangzhou 310027 (China); Zhang, Z. [Department of Chemistry, Yuquan campus, Zhejiang University, Hangzhou 310027 (China)]. E-mail: eaglezzy@zjuem.zju.edu.cn; Zhang, J.Q [Department of Chemistry, Yuquan campus, Zhejiang University, Hangzhou 310027 (China); State Key Laboratory for Corrosion and Protection of Metals, Institute of Metal Research, The Chinese Academy of Sciences, Shenyang 110016 (China)

2006-12-15

Decorative and protective Ni-P amorphous coatings were electroplated onto NdFeB permanent magnet from an ortho-phosphorous acid contained bath. The influences of the main electroplating technological parameters including current density, bath pH, bath temperature and H{sub 3}PO{sub 3} on the structure and chemical composition of Ni-P coatings were investigated by potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techniques in conjunction with X-ray diffraction (XRD), scanning transmission electron microscopy (SEM) and X-ray energy-dispersive spectrometry (EDX). The optimized amorphous Ni-P coated NdFeB can stand for ca. 180 h against neutral 3.0 wt.% NaCl salt spray without any pitting corrosion. Meanwhile, the results also showed that large phosphorous content is the precondition for Ni-P coatings to possess the amorphous structure, but too much high phosphorous content can damage the amorphous structure due to the separation of superfluous P from Ni{sub 2}P/Ni{sub 3}P and the resultant formation of multi-phase coatings (such as Ni{sub 2}P-P)

FDTD simulation of amorphous silicon waveguides for microphotonics applications

Science.gov (United States)

Fantoni, A.; Lourenço, P.; Pinho, P.; Vieira, M.,

2017-05-01

In this work we correlate the dimension of the waveguide with small variations of the refractive index of the material used for the waveguide core. We calculate the effective modal refractive index for different dimensions of the waveguide and with slightly variation of the refractive index of the core material. These results are used as an input for a set of Finite Difference Time Domain simulation, directed to study the characteristics of amorphous silicon waveguides embedded in a SiO2 cladding. The study considers simple linear waveguides with rectangular section for studying the modal attenuation expected at different wavelengths. Transmission efficiency is determined analyzing the decay of the light power along the waveguides. As far as near infrared wavelengths are considered, a-Si:H shows a behavior highly dependent on the light wavelength and its extinction coefficient rapidly increases as operating frequency goes into visible spectrum range. The simulation results show that amorphous silicon can be considered a good candidate for waveguide material core whenever the waveguide length is as short as a few centimeters. The maximum transmission length is highly affected by the a-Si:H defect density, the mid-gap density of states and by the waveguide section area. The simulation results address a minimum requirement of 300nm×400nm waveguide section in order to keep attenuation below 1 dB cm-1.

Influence of the anodic etching current density on the morphology of the porous SiC layer

Directory of Open Access Journals (Sweden)

Anh Tuan Cao

2014-03-01

Full Text Available In this report, we fabricated a porous layer in amorphous SiC thin films by using constant-current anodic etching in an electrolyte of aqueous diluted hydrofluoric acid. The morphology of the porous amorphous SiC layer changed as the anodic current density changed: At low current density, the porous layer had a low pore density and consisted of small pores that branched downward. At moderate current density, the pore size and depth increased, and the pores grew perpendicular to the surface, creating a columnar pore structure. At high current density, the porous structure remained perpendicular, the pore size increased, and the pore depth decreased. We explained the changes in pore size and depth at high current density by the growth of a silicon oxide layer during etching at the tips of the pores.

Directional and short-range ordering kinetics in metallic alloys, crystalline and amorphous

International Nuclear Information System (INIS)

Hillairet, J.

1985-01-01

This presentation describes the methods (resistometric and anelastic) based on analysis of stress-induced directional ordering and short-range ordering and their application to the study of metallic alloys, crystalline and amorphous. It focuses on the determination of the atomic mobility and point defect properties. It discusses also the structural information which can be gained by Zener relaxation studies about the order-disorder transition and self-induced directional ordering phenomena

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...

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.

Materials modeling by design: applications to amorphous solids

International Nuclear Information System (INIS)

Biswas, Parthapratim; Tafen, D N; Inam, F; Cai Bin; Drabold, D A

2009-01-01

In this paper, we review a host of methods used to model amorphous materials. We particularly describe methods which impose constraints on the models to ensure that the final model meets a priori requirements (on structure, topology, chemical order, etc). In particular, we review work based on quench from the melt simulations, the 'decorate and relax' method, which is shown to be a reliable scheme for forming models of certain binary glasses. A 'building block' approach is also suggested and yields a pleading model for GeSe 1.5 . We also report on the nature of vulcanization in an Se network cross-linked by As, and indicate how introducing H into an a-Si network develops into a-Si:H. We also discuss explicitly constrained methods including reverse Monte Carlo (RMC) and a novel method called 'Experimentally Constrained Molecular Relaxation'. The latter merges the power of ab initio simulation with the ability to impose external information associated with RMC.

Diffusion of Lithium Ions in Amorphous and Crystalline Poly(ethylene oxide)_3:LiCF_3SO_3 Polymer Electrolytes

International Nuclear Information System (INIS)

Xue, Sha; Liu, Yingdi; Li, Yaping; Teeters, Dale; Crunkleton, Daniel W.; Wang, Sanwu

2017-01-01

The PEO_3:LiCF_3SO_3 polymer electrolyte has attracted significant research due to high conductivity and enhanced stability in lithium polymer batteries. Most experimental studies have shown that amorphous PEO lithium salt electrolytes have higher conductivity than the crystalline ones. Other studies, however, have shown that crystalline PEO salt complexes can conduct ions. As a result, further theoretical investigations are warranted to help clarify the issue. In this work, we use density functional theory with the climbing image nudged elastic band method to investigate the atomic-scale mechanism of lithium ion transport in the polymer electrolytes. We also use density functional theory and ab initio molecular dynamics simulations to obtain the amorphous structure of PEO_3:LiCF_3SO_3. The diffusion pathways and activation energies of lithium ions in both crystalline and amorphous PEO_3:LiCF_3SO_3 are determined. In crystalline PEO_3:LiCF_3SO_3, the activation energy for the low-barrier diffusion pathway is approximately 1.0 eV. In the amorphous phase, the value is 0.6 eV. This result would support the experimental observation that amorphous PEO_3:LiCF_3SO_3 has higher ionic conductivity than the crystalline phase.

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....

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/

Hydrogen bond network relaxation in aqueous polyelectrolyte solutions: the effect of temperature

International Nuclear Information System (INIS)

Sarti, S; Bordi, F; Truzzolillo, D

2012-01-01

Dielectric spectroscopy data over the range 100 MHz-40 GHz allow for a reliable analysis of two of the major relaxation phenomena for polyelectrolytes (PE) in water. Within this range, the dielectric relaxation of pure water is dominated by a near-Debye process at ν = 18.5 GHz corresponding to a relaxation time of τ = 8.4 ps at 25 °C. This mode is commonly attributed to the cooperative relaxation specific to liquids forming a hydrogen bond network (HBN) and arising from long range H-bond-mediated dipole-dipole interactions. The presence of charged polymers in water partially modifies the dielectric characteristics of the orientational water molecule relaxation due to a change of the dielectric constant of water surrounding the charges on the polyion chain. We report experimental results on the effect of the presence of a standard flexible polyelectrolyte (sodium polyacrylate) on the HBN relaxation in water for different temperatures, showing that the HBN relaxation time does not change by increasing the polyelectrolyte density in water, even if relatively high concentrations are reached (0.02 monomol l -1 ≤ C ≤ 0.4 monomol l -1 ). We also find that the effect of PE addition on the HBN relaxation is not even a broadening of its distribution, rather a decrease of the spectral weight that goes beyond the pure volume fraction effect. This extra decrease is larger at low T and less evident at high T, supporting the idea that the correlation length of the water is less affected by the presence of charged flexible chains at high temperatures. (paper)

Effect of preparation conditions on the properties of glow-discharge intrinsic amorphous silicon

Energy Technology Data Exchange (ETDEWEB)

Gutierrez, M T; Carabe, J; Gandia, J J [Inst. de Energias Renovables, CIEMAT, Madrid (Spain); Solonko, A [Inst. of High Temperatures of the USSR (IVTAN), Academy of Sciences, Moscow (USSR)

1992-04-01

The influence of the preparation conditions (process pressure, substrate temperature, RF-power density and deposition time/thickness) on the optical and electrical properties of intrinsic hydrogenated amorphous silicon (a-Si:H) has been investigated with the aim of optimising such films to be used as absorbent layers of a-Si:H-based p-i-n solar cells. Highly photosensitive films have been obtained at high growth rates (6.2 A s{sup -1}) in the depletion regime using a high process pressure (1000 mTorr), a moderate substrate temperature (250deg C) and a relatively high RF-power density (35.2 mW cm{sup -2}). These films have excellent properties for the application in question. (orig.).

Stress relaxation under cyclic electron irradiation

International Nuclear Information System (INIS)

Bystrov, L.N.; Reznitskij, M.E.

1990-01-01

The kinetics of deformation process in a relaxating sample under 2 MeV electron cyclic irradiation was studied experimentally. The Al-Mg alloys with controllable and different (in dislocation density precipitate presence and their character) structure were used in experiments. It was established that after the beam was switched on the deformation rate increased sharply and then, during prolonged irradiation, in a gradual manner. After the switching-off the relaxation rate decreases by jumps up to values close to extrapolated rates of pre-radiation relaxation. The exhibition of these effects with radiation switching-off and switchin-on is dependent on the initial rate of thermal relaxation, the test temperature, the preliminary cold deformation and the dominating deformation dislocation mechanism. The preliminary cold deformation and test temperature elevation slightly decrease the effect of instantaneous relaxation acceleration with the irradiation switch-on. 17 refs., 5 figs

Mechanical Spectroscopy: Some Applications On Structural Changes And Relaxation Dynamics In Soft Matter

Directory of Open Access Journals (Sweden)

Wu Xuebang

2015-09-01

Full Text Available The general trend in soft matter is to study systems of increasing complexity covering a wide range in time and frequency. Mechanical spectroscopy is a powerful tool for understanding the structure and relaxation dynamics of these materials over a large temperature range and frequency scale. In this work, we collect a few recent applications using low-frequency mechanical spectroscopy for elucidating the structural changes and relaxation dynamics in soft matter, largely based on the author’s group. We illustrate the potential of mechanical spectroscopy with three kinds of soft materials: colloids, polymers and granular systems. Examples include structural changes in colloids, segmental relaxations in amorphous polymers, and resonant dissipation of grain chains in three-dimensional media. The present work shows that mechanical spectroscopy has been applied as a necessary and complementary tool to study the dynamics of such complex systems.

Atomistic study of two-level systems in amorphous silica

Science.gov (United States)

Damart, T.; Rodney, D.

2018-01-01

Internal friction is analyzed in an atomic-scale model of amorphous silica. The potential energy landscape of more than 100 glasses is explored to identify a sample of about 700 two-level systems (TLSs). We discuss the properties of TLSs, particularly their energy asymmetry and barrier as well as their deformation potential, computed as longitudinal and transverse averages of the full deformation potential tensors. The discrete sampling is used to predict dissipation in the classical regime. Comparison with experimental data shows a better agreement with poorly relaxed thin films than well relaxed vitreous silica, as expected from the large quench rates used to produce numerical glasses. The TLSs are categorized in three types that are shown to affect dissipation in different temperature ranges. The sampling is also used to discuss critically the usual approximations employed in the literature to represent the statistical properties of TLSs.

Preparation of Ta(C)N films by pulsed high energy density plasma

Energy Technology Data Exchange (ETDEWEB)

Feng Wenran [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Chen Guangliang [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Zhang Yan [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Gu Weichao [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Zhang Guling [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Niu Erwu [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Liu Chizi [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China); Yang Size [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100080 Beijing (China)

2007-04-07

The pulsed high energy density plasma (PHEDP) is generated in the working gas due to a high-voltage high-current discharge, within a coaxial gun. In PHEDP surface modification, discharge is applied for preparing the amorphous and nanostructured high-melting materials as thin films deposited on various substrates. In this investigation, Ta(C)N films were deposited using PHEDP on stainless steel. Pure tantalum and graphite were used as the inner and outer electrodes of the PHEDP coaxial gun, respectively. Nitrogen was used as the working gas and also one of the reactants. Preliminary study on the films prepared under different conditions shows that the formation of Ta(C)N is drastically voltage dependent. At lower gun voltage, no Ta(C)N was detected in the films; when the gun voltage reaches or exceeds 3.0 kV, Ta(C)N occurred. The films are composed of densely stacked nanocrystallines with diameter less than 30 nm, and some grains are within 10 nm in diameter.

Relaxation characteristics of hastelloy X

International Nuclear Information System (INIS)

Suzuki, Kazuhiko

1980-02-01

Relaxation diagrams of Hastelloy X (relaxation curves, relaxation design diagrams, etc.) were generated from the creep constitutive equation of Hastelloy X, using inelastic stress analysis code TEPICC-J. These data are in good agreement with experimental relaxation data of ORNL-5479. Three typical inelastic stress analyses were performed for various relaxation behaviors of the high-temperature structures. An attempt was also made to predict these relaxation behaviors by the relaxation curves. (author)

The influence of secondary processing on the structural relaxation dynamics of fluticasone propionate.

Science.gov (United States)

Depasquale, Roberto; Lee, Sau L; Saluja, Bhawana; Shur, Jagdeep; Price, Robert

2015-06-01

This study investigated the structural relaxation of micronized fluticasone propionate (FP) under different lagering conditions and its influence on aerodynamic particle size distribution (APSD) of binary and tertiary carrier-based dry powder inhaler (DPI) formulations. Micronized FP was lagered under low humidity (LH 25 C, 33% RH [relative humidity]), high humidity (HH 25°C, 75% RH) for 30, 60, and 90 days, respectively, and high temperature (HT 60°C, 44% RH) for 14 days. Physicochemical, surface interfacial properties via cohesive-adhesive balance (CAB) measurements and amorphous disorder levels of the FP samples were characterized. Particle size, surface area, and rugosity suggested minimal morphological changes of the lagered FP samples, with the exception of the 90-day HH (HH90) sample. HH90 FP samples appeared to undergo surface reconstruction with a reduction in surface rugosity. LH and HH lagering reduced the levels of amorphous content over 90-day exposure, which influenced the CAB measurements with lactose monohydrate and salmeterol xinafoate (SX). CAB analysis suggested that LH and HH lagering led to different interfacial interactions with lactose monohydrate but an increasing adhesive affinity with SX. HT lagering led to no detectable levels of the amorphous disorder, resulting in an increase in the adhesive interaction with lactose monohydrate. APSD analysis suggested that the fine particle mass of FP and SX was affected by the lagering of the FP. In conclusion, environmental conditions during the lagering of FP may have a profound effect on physicochemical and interfacial properties as well as product performance of binary and tertiary carrier-based DPI formulations.

High mobility amorphous InGaZnO{sub 4} thin film transistors formed by CO{sub 2} laser spike annealing

Energy Technology Data Exchange (ETDEWEB)

Chung, Chen-Yang; Zhu, Bin; Ast, Dieter G.; Thompson, Michael O. [Department of Materials Science and Engineering, Cornell University, Ithaca, New York 14853 (United States); Greene, Raymond G. [Corning Incorporated, Corning, New York 14831 (United States)

2015-03-23

Amorphous InGaZnO{sub 4} (a-IGZO) thin film transistors (TFTs) hold great potential for large area and flexible electronics with current research focused on improving the mobility and stability. In this work, we report on properties of IGZO TFTs fabricated using laser spike annealing (LSA) with a scanned continuous wave CO{sub 2} laser. For peak annealing temperatures near 430 °C and a 1 ms dwell, TFTs exhibit saturation field-effect mobilities above 70 cm{sup 2}/V-s (V{sub on} ∼ −3 V), a value over 4 times higher than furnace-annealed control samples (∼16 cm{sup 2}/V-s). A model linking oxygen deficient defect structures with limited structural relaxation after the LSA anneal is proposed to explain the observed high mobility. This mobility is also shown to be comparable to the estimated trap-free mobility in oxide semiconductors and suggests that shallow traps can be removed by transient thermal annealing under optimized conditions.

The advantage of high relaxivity contrast agents in brain perfusion

International Nuclear Information System (INIS)

Cotton, F.; Hermier, M.

2006-01-01

Accurate MRI characterization of brain lesions is critical for planning therapeutic strategy, assessing prognosis and monitoring response to therapy. Conventional MRI with gadolinium-based contrast agents is useful for the evaluation of brain lesions, but this approach primarily depicts areas of disruption of the blood-brain barrier (BBB) rather than tissue perfusion. Advanced MR imaging techniques such as dynamic contrast agent-enhanced perfusion MRI provide physiological information that complements the anatomic data available from conventional MRI. We evaluated brain perfusion imaging with gadobenate dimeglumine (Gd-BOPTA, MultiHance; Bracco Imaging, Milan, Italy). The contrast-enhanced perfusion technique was performed on a Philips Intera 1.5-T MR system. The technique used to obtain perfusion images was dynamic susceptibility contrast-enhanced MRI, which is highly sensitive to T2* changes. Combined with PRESTO perfusion imaging, SENSE is applied to double the temporal resolution, thereby improving the signal intensity curve fit and, accordingly, the accuracy of the derived parametric images. MultiHance is the first gadolinium MR contrast agent with significantly higher T1 and T2 relaxivities than conventional MR contrast agents. The higher T1 relaxivity, and therefore better contrast-enhanced T1-weighted imaging, leads to significantly improved detection of BBB breakdown and hence improved brain tumor conspicuity and delineation. The higher T2 relaxivity allows high-quality T2*-weighted perfusion MRI and the derivation of good quality relative cerebral blood volume (rCBV) maps. We determined the value of MultiHance for enhanced T2*-weighted perfusion imaging of histologically proven (by surgery or stereotaxic biopsy) intraaxial brain tumors (n=80), multiple sclerosis lesions (n=10), abscesses (n=4), neurolupus (n=15) and stroke (n=16). All the procedures carried out were safe and no adverse events occurred. The acquired perfusion images were of good quality in

Integrating a relaxation response-based curriculum into a public high school in Massachusetts.

Science.gov (United States)

Foret, Megan M; Scult, Matthew; Wilcher, Marilyn; Chudnofsky, Rana; Malloy, Laura; Hasheminejad, Nicole; Park, Elyse R

2012-04-01

Academic and societal pressures result in U.S. high school students feeling stressed. Stress management and relaxation interventions may help students increase resiliency to stress and overall well-being. The objectives of this study were to examine the feasibility (enrollment, participation and acceptability) and potential effectiveness (changes in perceived stress, anxiety, self-esteem, health-promoting behaviors, and locus of control) of a relaxation response (RR)-based curriculum integrated into the school day for high school students. The curriculum included didactic instruction, relaxation exercises, positive psychology, and cognitive restructuring. The intervention group showed significantly greater improvements in levels of perceived stress, state anxiety, and health-promoting behaviors when compared to the wait list control group. The intervention appeared most useful for girls in the intervention group. The results suggest that several modifications may increase the feasibility of using this potentially effective intervention in high schools. Copyright © 2011 The Foundation for Professionals in Services for Adolescents. Published by Elsevier Ltd. All rights reserved.

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.

Kinetic boundaries and phase transformations of ice i at high pressure

Science.gov (United States)

Wang, Yu; Zhang, Huichao; Yang, Xue; Jiang, Shuqing; Goncharov, Alexander F.

2018-01-01

Raman spectroscopy in diamond anvil cells has been employed to study phase boundaries and transformation kinetics of H2O ice at high pressures up to 16 GPa and temperatures down to 15 K. Ice i formed at nearly isobaric cooling of liquid water transforms on compression to high-density amorphous (HDA) ice at 1.1-3 GPa at 15-100 K and then crystallizes in ice vii with the frozen-in disorder (ice vii') which remains stable up to 14.1 GPa at 80 K and 15.9 GPa at 100 K. Unexpectedly, on decompression of ice vii', it transforms to ice viii in its domain of metastability, and then it relaxes into low-density amorphous (LDA) ice on a subsequent pressure release and warming up. On compression of ice i at 150-170 K, ice ix is crystallized and no HDA ice is found; further compression of ice ix results in the sequential phase transitions to stable ices vi and viii. Cooling ice i to 210 K at 0.3 GPa transforms it to a stable ice ii. Our extensive investigations provide previously missing information on the phase diagram of water, especially on the kinetic paths that result in formation of phases which otherwise are not accessible; these results are keys for understanding the phase relations including the formation of metastable phases. Our observations inform on the ice modifications that can occur naturally in planetary environments and are not accessible for direct observations.

Analysis of Helical Stainless Steel 08X18H10 Spring Relaxation at High Temperature

Directory of Open Access Journals (Sweden)

H. Sun

2015-01-01

Full Text Available The object of this paper is to study a cylindrical helical spring to be applied at high temperatures. The aim of this work is to study the regularity of relaxation stresses in spring and evaluate its long-term stresses.The work allowed us to establish relaxation dependencies of springs under high temperatures. According to the results of creep tests at 600°, the theoretical equation of steel creep was defined concretely. It was then used for the analysis at 350°.The paper presents a created finite element model of spring relaxation. It is the stainless steel 08Х18Н10 spring to be used at the temperature of 350°.In this paper describes the basic theory of creep, considers the relationship between the creep speed and parameters. The changing compression force of springs is analyzed under fixed compression amount.The paper also analyzes the changing length of springs in the free state after various stages of high-temperature relaxation test. It determines the results of compression forces and free length under different amount of compression.The analysis to compare the theoretical calculation of the compression forces with the experimental results is conducted. Computer modeling is created in Abaqus for calculation. Spring relaxation experiments are carried out under fixed compression amount and at the temperature of 350°. It is shown that the simulation results, which are carried out in Abaqus coincide with experimental results. The study shows that it is possible to use the creep equation parameters, based on the experimental results at high temperatures, to predict creep and relaxation properties of springs, which work at less high temperatures. The work results can be used as a basis in designing the springs working at high temperatures.

Amorphous Silicon-Germanium Films with Embedded Nanocrystals for Thermal Detectors with Very High Sensitivity

Directory of Open Access Journals (Sweden)

Cesar Calleja

2016-01-01

Full Text Available We have optimized the deposition conditions of amorphous silicon-germanium films with embedded nanocrystals in a plasma enhanced chemical vapor deposition (PECVD reactor, working at a standard frequency of 13.56 MHz. The objective was to produce films with very large Temperature Coefficient of Resistance (TCR, which is a signature of the sensitivity in thermal detectors (microbolometers. Morphological, electrical, and optical characterization were performed in the films, and we found optimal conditions for obtaining films with very high values of thermal coefficient of resistance (TCR = 7.9% K−1. Our results show that amorphous silicon-germanium films with embedded nanocrystals can be used as thermosensitive films in high performance infrared focal plane arrays (IRFPAs used in commercial thermal cameras.

Electronic structure of the amorphous-crystalline Silicon heterostructure contact; Die elektronische Struktur des amorph-kristallinen Silizium-Heterostruktur-Kontakts

Energy Technology Data Exchange (ETDEWEB)

Korte, L.

2006-07-01

deposition temperature series of the undoped layers and the doping series with a substrate-temperature of 230 C, measurements of the transient surface-photovoltage (SPV) were carried out. These measurements yield through their decay behavior over time (which is an image of the bands relaxing to their dark equilibrium position) a measurement for the recombination velocity at the a-Si:H/c-Si interface. Furthermore, if high-injection conditions can be reached, i.e. a concentration of photogenerated excess charge-carriers in the c-Si that exceeds significantly both the minority as well as the majority charge-carrier density in the dark (high-injection case), then the maximum photovoltage is a measurement for the band bending in the c-Si in dark equilibrium (without illumination). In this thesis, it was shown that the measured spectrum can be described as the sum of the spectra of a hydrogen terminated c-Si surface and a thick ({proportional_to}100 nm) a-Si:H layer. (orig.)

Size dependence of 13C nuclear spin-lattice relaxation in micro- and nanodiamonds

Science.gov (United States)

Panich, A. M.; Sergeev, N. A.; Shames, A. I.; Osipov, V. Yu; Boudou, J.-P.; Goren, S. D.

2015-02-01

Size dependence of physical properties of nanodiamond particles is of crucial importance for various applications in which defect density and location as well as relaxation processes play a significant role. In this work, the impact of defects induced by milling of micron-sized synthetic diamonds was studied by magnetic resonance techniques as a function of the particle size. EPR and 13C NMR studies of highly purified commercial synthetic micro- and nanodiamonds were done for various fractions separated by sizes. Noticeable acceleration of 13C nuclear spin-lattice relaxation with decreasing particle size was found. We showed that this effect is caused by the contribution to relaxation coming from the surface paramagnetic centers induced by sample milling. The developed theory of the spin-lattice relaxation for such a case shows good compliance with the experiment.

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.

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.

Annealing effect on spin density of broken bonds and on the structure of amorphous germanium

International Nuclear Information System (INIS)

Bukhan'ko, F.N.; Okunev, V.D.; Samojlenko, Z.A.

1989-01-01

Dependence of volumetric spin density of broken bonds in a-Ge films, produced by cathode sputtering in argon, on the annealing temperature is investigated by ESR method. The film structure is controlled by the X-ray method. Two ESR lines with g=2.019 and g=2.003, their intensities changing non-monotonously with annealing temperature are observed. The line with g=2.019 is typical of only amorphous germanium state, and the line with g=2.003 is preserved after film crystallization. Under comparison of results with structural data a conclusion is made that the observed lines in ESR spectra are linked with broken bonds in peripheral regions of two types of clusters. The line with g=2.003 is conditioned by broken bonds in the peripheral cluster regions with standard cubic atom packing and the line with g=2.019 is linked with clusters of hexagonal type which is not typical of crystalline germanium standard structure

Structural relaxation in the magnetically treated glass ceramic Bi1.8Pb0.2Sr2CaCu2Ox

International Nuclear Information System (INIS)

Alekseenko, V.I.; Volkova, G.K.; Konstanminova, T.E.; Nosolev, I.K.; Popova, I.B.

1994-01-01

Structure relaxation in Bi 1.8 Pb 0.2 Sr 2 CaCu 2 O x amorphous glass ceramics after the treatment using weak pulse magnetic field is studied using microindentation, X-ray structure analysis and inner friction techniques. Structure relaxation after substance treatment using pulse magnetic field is detected to occur at room temperature and to result in its strengthening (increase of microhardness-H v ) and in reduction of inner microstress level.9 refs., 4 figs

Stress dependence of the domain wall potential in amorphous CoFeSiB glass-coated microwires

International Nuclear Information System (INIS)

Varga, R.; Zhukov, A.; Blanco, J.M.; Gonzalez, J.; Zhukova, V.; Vojtanik, P.

2006-01-01

We present a method to study the domain wall potential through the thermal activation of the domain wall across the energy barrier. Two contributions to the domain wall potential in amorphous microwires are recognized: magnetoelastic and relaxation. The role of each contribution is studied by measuring the switching field distribution at different frequencies and under applied stress

Microwave Amplitude Modulation Technique to Measure Spin-Lattice (T 1) and Spin-Spin (T 2) Relaxation Times

Science.gov (United States)

Misra, Sushil K.

The measurement of very short spin-lattice, or longitudinal, relaxation (SLR) times (i.e., 10-10 Misra, 1998), and polymer resins doped with rare-earth ions (Pescia et al., 1999a; Pescia et al. 1999b). The ability to measure such fast SLR data on amorphous Si and copper-chromium-tin spinel led to an understanding of the role of exchange interaction in affecting spin-lattice relaxation, while the data on polymer resins doped with rare-earth ions provided evidence of spin-fracton relaxation (Pescia et al., 1999a, b). But such fast SLR times are not measurable by the most commonly used techniques of saturation- and inversion-recovery (Poole, 1982; Alger, 1968), which only measure spin-lattice relaxation times longer than 10-6 s. A summary of relevant experimental data is presented in Table 1.

Density functional study of graphene antidot lattices: Roles of geometrical relaxation and spin

DEFF Research Database (Denmark)

Fürst, Joachim Alexander; Pedersen, Thomas Garm; Brandbyge, Mads

2009-01-01

thereof. We find from DFT that all structures investigated have band gaps ranging from 0.2 to 1.5 eV. Band gap sizes and general trends are well captured by DFTB with band gaps agreeing within about 0.2 eV even for very small structures. A combination of the two methods is found to offer a good trade...... properties. In this work, we perform calculations of the band structure for various hydrogen-passivated hole geometries using both spin-polarized density functional theory (DFT) and DFT based tight-binding (DFTB) and address the importance of relaxation of the structures using either method or a combination......-off between computational cost and accuracy. Both methods predict nondegenerate midgap states for certain antidot hole symmetries. The inclusion of spin results in a spin-splitting of these states as well as magnetic moments obeying the Lieb theorem. The local-spin texture of both magnetic and nonmagnetic...

High-Power-Density, High-Energy-Density Fluorinated Graphene for Primary Lithium Batteries

Directory of Open Access Journals (Sweden)

Guiming Zhong

2018-03-01

Full Text Available Li/CFx is one of the highest-energy-density primary batteries; however, poor rate capability hinders its practical applications in high-power devices. Here we report a preparation of fluorinated graphene (GFx with superior performance through a direct gas fluorination method. We find that the so-called “semi-ionic” C-F bond content in all C-F bonds presents a more critical impact on rate performance of the GFx in comparison with sp2 C content in the GFx, morphology, structure, and specific surface area of the materials. The rate capability remains excellent before the semi-ionic C-F bond proportion in the GFx decreases. Thus, by optimizing semi-ionic C-F content in our GFx, we obtain the optimal x of 0.8, with which the GF0.8 exhibits a very high energy density of 1,073 Wh kg−1 and an excellent power density of 21,460 W kg−1 at a high current density of 10 A g−1. More importantly, our approach opens a new avenue to obtain fluorinated carbon with high energy densities without compromising high power densities.

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.

Infrared Spectra and Band Strengths of Amorphous and Crystalline N2O

Science.gov (United States)

Hudson, R. L.; Loeffler, M. J.; Gerakines, P. A.

2017-01-01

Infrared transmission spectra from 4000 to 400 cm (exp -1), and associated band strengths and absorption coefficients, are presented for the first time for both amorphous and crystalline N2O. Changes in the spectra as a function of ice thickness and ice temperature are shown. New measurements of density, refractive index, and specific refraction are reported for amorphous and crystalline N2O. Comparisons are made to published results, and the most-likely reason for some recent disagreements in the literature is discussed. As with CO2, its isoelectronic congener, the formation of amorphous N2O is found to require greater care than the formation of amorphous solids from more-polar molecules.

A Density Functional Tight Binding Study of Acetic Acid Adsorption on Crystalline and Amorphous Surfaces of Titania

Directory of Open Access Journals (Sweden)

Sergei Manzhos

2015-02-01

Full Text Available We present a comparative density functional tight binding study of an organic molecule attachment to TiO2 via a carboxylic group, with the example of acetic acid. For the first time, binding to low-energy surfaces of crystalline anatase (101, rutile (110 and (B-TiO2 (001, as well as to the surface of amorphous (a- TiO2 is compared with the same computational setup. On all surfaces, bidentate configurations are identified as providing the strongest adsorption energy, Eads = −1.93, −2.49 and −1.09 eV for anatase, rutile and (B-TiO2, respectively. For monodentate configurations, the strongest Eads = −1.06, −1.11 and −0.86 eV for anatase, rutile and (B-TiO2, respectively. Multiple monodentate and bidentate configurations are identified on a-TiO2 with a distribution of adsorption energies and with the lowest energy configuration having stronger bonding than that of the crystalline counterparts, with Eads up to −4.92 eV for bidentate and −1.83 eV for monodentate adsorption. Amorphous TiO2 can therefore be used to achieve strong anchoring of organic molecules, such as dyes, that bind via a -COOH group. While the presence of the surface leads to a contraction of the band gap vs. the bulk, molecular adsorption caused no appreciable effect on the band structure around the gap in any of the systems.

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

A new Ti-Zr-Hf-Cu-Ni-Si-Sn bulk amorphous alloy with high glass-forming ability

International Nuclear Information System (INIS)

Huang, Y.J.; Shen, J.; Sun, J.F.; Yu, X.B.

2007-01-01

The effect of Sn substitution for Cu on the glass-forming ability was investigated in Ti 41.5 Zr 2.5 Hf 5 Cu 42.5-x Ni 7.5 Si 1 Sn x (x = 0, 1, 3, 5, 7) alloys by using differential scanning calorimetry (DSC) and X-ray diffractometry. The alloy containing 5% Sn shows the highest glass-forming ability (GFA) among the Ti-Zr-Hf-Cu-Ni-Si-Sn system. Fully amorphous rod sample with diameters up to 6 mm could be successfully fabricated by the copper mold casting Ti 41.5 Zr 2.5 Hf 5 Cu 37.5 Ni 7.5 Si 1 Sn 5 alloy. The activation energies for glass transition and crystallization for Ti 41.5 Zr 2.5 Hf 5 Cu 37.5 Ni 7.5 Si 1 Sn 5 amorphous alloy are both larger than those values for the Sn-free alloy. The enhancement in GFA and thermal stability after the partial replacement of Cu by Sn may be contributed to the strong atomic bonding nature between Ti and Sn and the increasing of atomic packing density. The amorphous Ti 41.5 Zr 2.5 Hf 5 Cu 37.5 Ni 7.5 Si 1 Sn 5 alloy also possesses superior mechanical properties

High-Relaxivity MRI Contrast Agents: Where Coordination Chemistry Meets Medical Imaging

Energy Technology Data Exchange (ETDEWEB)

Werner, Eric J.; Datta, Ankona; Jocher, Christoph J.; Raymond, Kenneth N.

2008-01-15

The desire to improve and expand the scope of clinical magnetic resonance imaging (MRI) has prompted the search for contrast agents of higher efficiency. The development of better agents requires consideration of the fundamental coordination chemistry of the gadolinium(III) ion and the parameters that affect its efficacy as a proton relaxation agent. In optimizing each parameter, other practical issues such as solubility and in vivo toxicity must also be addressed, making the attainment of safe, high-relaxivity agents a challenging goal. Here we present recent advances in the field, with an emphasis on the hydroxypyridinone family of Gd{sup III} chelates.

Characterisation of the glass transition of an amorphous drug using modulated DSC.

Science.gov (United States)

Royall, P G; Craig, D Q; Doherty, C

1998-07-01

The use of modulated differential scanning calorimetry (MDSC) as a novel means of characterising the glass transition of amorphous drugs has been investigated, using the protease inhibitor saquinavir as a model compound. In particular, the effects of measuring variables (temperature cycling, scanning period, heating mode) have been examined. Saquinavir samples of known moisture content were examined using a TA Instruments 2920 MDSC at a heating rate of 2 degrees C/min and an amplitude of +/-0.159 degrees C with a period of 30 seconds. These conditions were used to examine the effects of cycling between - 50 degrees C and 150 degrees C. A range of periods between 20 and 50 seconds were then studied. Isothermal measurements were carried out between 85 degrees C and 120 degrees C using an amplitude of +/-0.159 degrees C with a period of 30 seconds. MDSC showed the glass transition of saquinavir (0.98 +/- 0.05%w/w moisture content) in isolation from the relaxation endotherm to give an apparent glass transition temperature of 107.0 degrees C +/- 0.4 degrees C. Subsequent temperature cycling gave reproducible glass transition temperatures of approximately 105 degrees C for both cooling and heating cycles. The enthalpic relaxation peak observed in the initial heating cycle had an additional contribution from a Tg "shift" effect brought about by the difference in response to the glass transition of the total and reversing heat flow signals. Isothermal studies yield a glass transition at 105.9 degrees C +/- 0.1 degrees C. MDSC has been shown to be capable of separating the glass transition of saquinavir from the relaxation endotherm, thereby facilitating measurement of this parameter without the need for temperature cycling. However, the Tg "shift" effect and the number of modulations through the transition should be taken into account to avoid drawing erroneous conclusions from the experimental data. MDSC has been shown to be an effective method of characterising the glass

Proceedings of the frontiers of hydrogen complexity

International Nuclear Information System (INIS)

Yamamuro, Osamu

2000-05-01

The discussion meeting on complex systems containing hydrogen and/or hydrogen bondings were held at High Energy Accelerator Research Organization (KEK), Japan, in December, 1999, and the proceedings of the papers presented, 18 oral and 20 poster presentations, are included in the present report. Study on water structure using neutron scattering in these 50 years is activated by appearance of new research techniques: Pulsed neutron sources and easy preparation method of amorphous ices, high density amorphous (HDA) and low density amorphous (LDA) one. Both techniques may bring about possibility of elucidation of the dynamics of water structure. Pulsed neutron sources make possible to carry out measurements in a wider Q-w space, thus extending excitations to higher levels. HDA state can be kept in lower temperatures while maintaining the same density as that of liquid water. Research fields relevant to the present discussion include super-cooled liquid, glassy state, supercritical liquid, polymers, gels and micro-emulsions. Other research techniques for this study include X-ray and photon scattering, NMR, dielectric relaxation phenomena, calorimetric measurement, and computer simulations. (S.Ohno)

CdZnTe quantum dots study: energy and phase relaxation process

International Nuclear Information System (INIS)

Viale, Yannick

2004-01-01

We present a study of the electron-hole pair energy and phase relaxation processes in a CdTe/ZnTe heterostructure, in which quantum dots are embedded. CdZnTe quantum wells with a high Zinc concentration, separated by ZnTe barriers, contain islands with a high cadmium concentration. In photoluminescence excitation spectroscopy experiments, we evidence two types of electron hole pair relaxation processes. After being excited in the CdZnTe quantum well, the pairs relax their energy by emitting a cascade of longitudinal optical phonons until they are trapped in the quantum dots. Before their radiative recombination follows an intra-dot relaxation, which is attributed to a lattice polarization mechanism of the quantum dots. It is related to the coupling between the electronic and the vibrational states. Both relaxation mechanisms are reinforced by the strong polar character of the chemical bond in II-VI compounds. Time resolved measurements of transmission variations in a pump-probe configuration allowed us to investigate the population dynamics of the electron-hole pairs during the relaxation process. We observe a relaxation time of about 2 ps for the longitudinal phonon emission cascade in the quantum well before a saturation of the quantum dot transition. We also measured an intra-box relaxation time of 25 ps. The comparison of various cascades allows us to estimate the emission time of a longitudinal optical phonon in the quantum well to be about 100 fs. In four waves mixing experiments, we observe oscillations that we attribute to quantum beats between excitonic and bi-excitonic transitions. The dephasing times that we measure as function of the density of photons shows that excitons are strongly localized in the quantum dots. The excitonic dephasing time is much shorter than the radiative lifetime and is thus controlled by the intra-dot relaxation time. (author) [fr

Effect of γ-(Fe,Ni) crystal-size stabilization in Fe-Ni-B amorphous ribbon

Science.gov (United States)

Gorshenkov, M. V.; Glezer, A. M.; Korchuganova, O. A.; Aleev, A. A.; Shurygina, N. A.

2017-02-01

The effect of stabilizing crystal size in a melt-quenched amorphous Fe50Ni33B17 ribbon is described upon crystallization in a temperature range of 360-400°C. The shape, size, volume fraction, and volume density have been investigated by transmission electron microscopy and X-ray diffraction methods. The formation of an amorphous layer of the Fe50Ni29B21 compound was found by means of atomic-probe tomography at the boundary of the crystallite-amorphous phase. The stabilization of crystal sizes during annealing is due to the formation of a barrier amorphous layer that has a crystallization temperature that exceeds the crystallization temperature of the matrix amorphous alloy.

Morphological features of the copper surface layer under sliding with high density electric current

Energy Technology Data Exchange (ETDEWEB)

Fadin, V. V., E-mail: fvv@ispms.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); Aleutdinova, M. I., E-mail: aleut@ispms.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); Seversk Technological Institute, Branch of State Autonomous Educational Institution of Higher Professional Education “National Research Nuclear University “MEPhI”, Seversk, 636036 (Russian Federation); Rubtsov, V. Ye., E-mail: rvy@ispms.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 634055 (Russian Federation); National Research Tomsk Polytechnic University, Tomsk, 634050 (Russian Federation); Aleutdinova, V. A., E-mail: valery-aleut@yandex.ru [National Research St. Petersburg State Polytechnical University, St. Petersburg, 195251 (Russian Federation)

2015-10-27

Conductivity and wear intensity of copper under the influence of dry friction and electric current with contact density higher 100 A/cm{sup 2} are presented. It is shown that an increase in hardness and heat outflow from a friction zone leads to the reduction of wear intensity and current contact density increase corresponding to the beginning of catastrophic wear. Structural changes, such as the formation of FeO oxide and α-Fe particles in the copper surface layer, have also been found. It is observed that a worn surface is deformed according to a viscous liquid mechanism. Such singularity is explained in terms of appearance of high-excited atomic states in deforming micro-volumes near contact spots that lead to easy stress relaxation by local plastic shears in the vicinity of stress concentrators. In common this effect allows to achieve high wear resistance.

A New Approach to the Computer Modeling of Amorphous Nanoporous Structures of Semiconducting and Metallic Materials: A Review

Science.gov (United States)

Romero, Cristina; Noyola, Juan C.; Santiago, Ulises; Valladares, Renela M.; Valladares, Alexander; Valladares, Ariel A.

2010-01-01

We review our approach to the generation of nanoporous materials, both semiconducting and metallic, which leads to the existence of nanopores within the bulk structure. This method, which we have named as the expanding lattice method, is a novel transferable approach which consists first of constructing crystalline supercells with a large number of atoms and a density close to the real value and then lowering the density by increasing the volume. The resulting supercells are subjected to either ab initio or parameterized—Tersoff-based—molecular dynamics processes at various temperatures, all below the corresponding bulk melting points, followed by geometry relaxations. The resulting samples are essentially amorphous and display pores along some of the “crystallographic” directions without the need of incorporating ad hoc semiconducting atomic structural elements such as graphene-like sheets and/or chain-like patterns (reconstructive simulations) or of reproducing the experimental processes (mimetic simulations). We report radial (pair) distribution functions, nanoporous structures of C and Si, and some computational predictions for their vibrational density of states. We present numerical estimates and discuss possible applications of semiconducting materials for hydrogen storage in potential fuel tanks. Nanopore structures for metallic elements like Al and Au also obtained through the expanding lattice method are reported.

Gd-HOPO Based High Relaxivity MRI Contrast Agents

Energy Technology Data Exchange (ETDEWEB)

Datta, Ankona; Raymond, Kenneth

2008-11-06

Tris-bidentate HOPO-based ligands developed in our laboratory were designed to complement the coordination preferences of Gd{sup 3+}, especially its oxophilicity. The HOPO ligands provide a hexadentate coordination environment for Gd{sup 3+} in which all he donor atoms are oxygen. Because Gd{sup 3+} favors eight or nine coordination, this design provides two to three open sites for inner-sphere water molecules. These water molecules rapidly exchange with bulk solution, hence affecting the relaxation rates of bulk water olecules. The parameters affecting the efficiency of these contrast agents have been tuned to improve contrast while still maintaining a high thermodynamic stability for Gd{sup 3+} binding. The Gd- HOPO-based contrast agents surpass current commercially available agents ecause of a higher number of inner-sphere water molecules, rapid exchange of inner-sphere water molecules via an associative mechanism, and a long electronic relaxation time. The contrast enhancement provided by these agents is at least twice that of commercial contrast gents, which are based on polyaminocarboxylate ligands.

FY 1999 report on the results of the development of technology of super metal. Development of nano/amorphous structure control materials; 1999 nendo super metal no gijutsu kaihatsu seika hokokusho. Nano amorphous kozo seigyo gijutsu no kaihatsu

Energy Technology Data Exchange (ETDEWEB)

NONE

2000-03-01

For the purpose of reducing the amount of energy consumption of transportation equipment such as automobiles, the development is made of innovative metal materials enabling the weight reduction of members relatively on the basis of simple chemical components and by making more substantial improvement of characteristics such as strength and toughness than in the existing metals. For it, the following R and D are conducted in which nano crystal structure and non-equilibrium phase structure such as amorphous are controlled to the limits: 1) particle micro-dispersion technology; 2) high speed super plastic formation technology; 3) high density energy utilization control technology; 4) control cooling technology. In 1), study was made of alloy components and effects of the creation process which are needed for achievement of the nano level of crystal grain. In 2), conditions of vapor deposition and production in high speed particle deposition method are optimally selected, and amorphous and nano crystal structures can easily be produced. In 3), high corrosion-resistant amorphous alloy bulk materials with 5mm thickness and 10mm diameter were successfully trially manufactured. In 4), a bulk amorphous specimen with 10mm outer diameter, 6mm inner diameter and 1mm thickness which was fabricated in the forging method indicated favorable magnetic properties. A method to make a specimen which is more stable is being studied. (NEDO)

Electronic structure of xenon implanted with low energy in amorphous silicon

International Nuclear Information System (INIS)

Barbieri, P.F.; Landers, R.; Oliveira, M.H. de; Alvarez, F.; Marques, F.C.

2007-01-01

Electronic structure of Xe implanted in amorphous silicon (a-Si) films are investigated. Xe atoms were implanted with low energy by ion beam assisted deposition (IBAD) technique during growth of the a-Si films. The Xe implantation energy varied in the 0-300 eV energy range. X-ray photoelectron spectroscopy (XPS), X-ray Auger excited spectroscopy (XAES) and X-ray absorption spectroscopy (XAS) were used for investigating the Xe electronic structure. The Xe M 4 N 45 N 45 transitions were measured to extract the Auger parameter and to analyze the initial state and relaxation contributions. It was found that the binding energy variation is mainly due to initial state contribution. The relaxation energy variation also shows that the Xe trapped environment depends on the implantation energy. XAS measurements reveals that Xe atoms are dispersed in the a-Si matrix

As-grown vertically aligned amorphous TiO2 nanotube arrays as high-rate Li-based micro-battery anodes with improved long-term performance

International Nuclear Information System (INIS)

Lamberti, Andrea; Garino, Nadia; Sacco, Adriano; Bianco, Stefano; Chiodoni, Angelica; Gerbaldi, Claudio

2015-01-01

Highlights: • Amorphous TiO 2 nanotube (NT) arrays are fabricated by fast and facile anodic oxidation. • Near-theoretical initial specific capacity and remarkable rate capability. • Very long-term cycling stability (>2000 cycles) at a very high C-rate. • High surface area and improved interfacial characteristics for fast diffusion kinetics. • NTs show promising prospects in storage devices conceived for high power applications. - Abstract: Vertically oriented arrays of high surface area TiO 2 nanotubes (NTs) are fabricated by the fast and facile anodic oxidation of a titanium foil. The formation of well-defined one-dimensional nanotubular carpets is assessed by means of morphological Field Emission Scanning Electron Microscopy characterisation, while X-ray diffraction analysis and Transmission Electron Microscopy imaging confirm the amorphous nature of the samples. The electrochemical response evaluated in lab-scale lithium cells is highly satisfying with near-theoretical initial specific capacity and remarkable rate capability, noteworthy in the absence of binders and conductive agents, which would affect the overall energy density. A specific capacity exceeding 200 mAh g −1 is observed at very high 24 C and approx. 80 mAh g −1 are retained even at very high 96 C rate, thus accounting for the promising prospects in storage devices conceived for high power applications. Moreover, the NTs can perform with good cycling stability and capacity retention approaching 50% of the initial value after very long-term operation along with improved durability (> 2000 cycles)

Dielectric relaxation of guest molecules in a clathrate structure of syndiotactic polystyrene.

Science.gov (United States)

Urakawa, Osamu; Kaneko, Fumitoshi; Kobayashi, Hideo

2012-12-13

Structure and dynamics of semicrystalline polymer films composed of syndiotactic polystyrene (sPS) and 2-butanone were examined through X-ray diffraction, polarized FTIR, and dielectric relaxation measurements. The X-ray and FTIR measurements revealed its crystal structure to be δ-clathrate containing 2-butanone molecules inside. The carbonyl group of 2-butanone in the crystal was found to orient preferentially parallel to the ac plane of the crystal through the polarized ATR FTIR measurements. Dielectric measurements were also conducted on these film samples to see only the relaxation dynamics of 2-butanone thanks to the high dielectric intensity of 2-butanone compared to sPS. Two relaxation modes denoted by slow and fast modes appeared. The former was assigned to the motion of 2-butanone molecules entrapped in the cavities of the crystalline (δ-form) and the latter to those in the amorphous region. We focused on the slow mode in order to elucidate the specific dynamics of the guest molecule confined in the crystalline region. The relaxation time of the slow mode was about 4 orders of magnitude longer than that of liquid 2-butanone. This suggests that the dynamics of guest molecules is highly restricted due to the high barrier to conformational and/or orientational change of the guest molecule in the cavity of δ-crystal. Furthermore, the dielectric intensity Δε of the slow mode was much smaller than the one calculated from that of bulk liquid 2-butanone and the guest concentration in the crystalline region (the intensity was only 10% of the estimated value from the bulk liquid data). This result also indicates that the free rotational motion of 2-butanone molecules is restricted inside the crystal. This will be consistently related to the weak uniplanar orientation of the carbonyl group of 2-butanone parallel to the ac plane revealed by the X-ray and polarized ATR FTIR measurements.

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.

Room-Temperature-Synthesized High-Mobility Transparent Amorphous CdO-Ga2O3 Alloys with Widely Tunable Electronic Bands.

Science.gov (United States)

Liu, Chao Ping; Ho, Chun Yuen; Dos Reis, Roberto; Foo, Yishu; Guo, Peng Fei; Zapien, Juan Antonio; Walukiewicz, Wladek; Yu, Kin Man

2018-02-28

In this work, we have synthesized Cd 1-x Ga x O 1+δ alloy thin films at room temperature over the entire composition range by radio frequency magnetron sputtering. We found that alloy films with high Ga contents of x > 0.3 are amorphous. Amorphous Cd 1-x Ga x O 1+δ alloys in the composition range of 0.3 < x < 0.5 exhibit a high electron mobility of 10-20 cm 2 V -1 s -1 with a resistivity in the range of 10 -2 to high 10 -4 Ω cm range. The resistivity of the amorphous alloys can also be controlled over 5 orders of magnitude from 7 × 10 -4 to 77 Ω cm by controlling the oxygen stoichiometry. Over the entire composition range, these crystalline and amorphous alloys have a large tunable intrinsic band gap range of 2.2-4.8 eV as well as a conduction band minimum range of 5.8-4.5 eV below the vacuum level. Our results suggest that amorphous Cd 1-x Ga x O 1+δ alloy films with 0.3 < x < 0.4 have favorable optoelectronic properties as transparent conductors on flexible and/or organic substrates, whereas the band edges and electrical conductivity of films with 0.3 < x < 0.7 can be manipulated for transparent thin-film transistors as well as electron transport layers.

Simulations of vibrational relaxation in dense molecular fluids

International Nuclear Information System (INIS)

Holian, B.L.

1985-07-01

In the understanding of high-temperatre and -pressure chemistry in explosives, first step is the study of the transfer of energy from translational degrees of freedom into internal vibrations of the molecules. We present new methods using nonequilibrium molecular dynamics (NEMD) for measuring vibrational relaxation in a diatomic fluid, where we expect a classical treatment of many-body collisions to be relevant because of the high densities (2 to 3 times compressed compared to the normal fluid) and high temperatures (2000 to 4000 K) involved behind detonation waves. NEMD techniques are discussed, including their limitations, and qualitative results presented

Evolution with Composition of the d-Band Density of States at the Fermi Level in Highly Spin Polarized Co1-xFexS2

Science.gov (United States)

Kuhns, P. L.; Hoch, M. J. R.; Reyes, A. P.; Moulton, W. G.; Wang, L.; Leighton, C.

2006-04-01

Highly spin polarized (SP) and half-metallic ferromagnetic systems are of considerable current interest and of potential importance for spintronic applications. Recent work has demonstrated that Co1-xFexS2 is a highly polarized ferromagnet (FM) where the spin polarization can be tuned by alloy composition. Using Co59 FM-NMR as a probe, we have measured the low-temperature spin relaxation in this system in magnetic fields from 0 to 1.0 T for 0≤x≤0.3. The Co59 spin-lattice relaxation rates follow a linear T dependence. Analysis of the data, using expressions for a FM system, permits information to be obtained on the d-band density of states at the Fermi level. The results are compared with independent density of states values inferred from electronic specific heat measurements and band structure calculations. It is shown that FM-NMR can be an important method for investigating highly SP systems.

Investigation of structural relaxation, crystallization process and magnetic properties of the Fe-Ni-Si-B-C amorphous alloy

International Nuclear Information System (INIS)

Kalezic-Glisovic, A.; Novakovic, L.; Maricic, A.; Minic, D.; Mitrovic, N.

2006-01-01

The differential scanning calorimetry method was used for investigating the crystallization process of the Fe 89.8 Ni 1.5 Si 5.2 B 3 C 0.5 amorphous alloy. It was shown that the examined alloy crystallizes in three stages. The first crystallization stage occurs at 799 K, the second at 820 K and the third at 888 K. Temperature dependence of the magnetic susceptibility relative change was investigated by the modified Faraday method in the temperature region from room temperature up to 900 K. It has been established that the Curie temperature is about 700 K for amorphous state. The magnetic susceptibility increases by 30% after the first heating up to 710 K. During the second heating up to 840 K the alloy loses its ferromagnetic features in the temperature region from 710 to 750 K, upon which it again regains the same. After the second heating magnetic susceptibility decreases by 23% as compared to the amorphous starting value and by 53% as compared to the value before the second heating. The crystallized alloy maintains ferromagnetic features in the whole temperature region during the heating up to 900 K

Investigation of structural relaxation, crystallization process and magnetic properties of the Fe-Ni-Si-B-C amorphous alloy

Energy Technology Data Exchange (ETDEWEB)

Kalezic-Glisovic, A. [Joint Laboratory for Advanced Materials of SASA, Section for Amorphous Systems, Technical Faculty Cacak, Svetog Save 65, 32000 Cacak (Serbia and Montenegro)]. E-mail: aleksandrakalezic@eunet.yu; Novakovic, L. [Faculty of Physics, Studentski trg 16, 11000 Belgrade (Serbia and Montenegro); Maricic, A. [Joint Laboratory for Advanced Materials of SASA, Section for Amorphous Systems, Technical Faculty Cacak, Svetog Save 65, 32000 Cacak (Serbia and Montenegro); Minic, D. [Faculty of Physical Chemistry, Studentski trg 16, 11000 Belgrade (Serbia and Montenegro); Mitrovic, N. [Joint Laboratory for Advanced Materials of SASA, Section for Amorphous Systems, Technical Faculty Cacak, Svetog Save 65, 32000 Cacak (Serbia and Montenegro)]. E-mail: nmitrov@tfc.kg.ac.yu

2006-07-15

The differential scanning calorimetry method was used for investigating the crystallization process of the Fe{sub 89.8}Ni{sub 1.5}Si{sub 5.2}B{sub 3}C{sub 0.5} amorphous alloy. It was shown that the examined alloy crystallizes in three stages. The first crystallization stage occurs at 799 K, the second at 820 K and the third at 888 K. Temperature dependence of the magnetic susceptibility relative change was investigated by the modified Faraday method in the temperature region from room temperature up to 900 K. It has been established that the Curie temperature is about 700 K for amorphous state. The magnetic susceptibility increases by 30% after the first heating up to 710 K. During the second heating up to 840 K the alloy loses its ferromagnetic features in the temperature region from 710 to 750 K, upon which it again regains the same. After the second heating magnetic susceptibility decreases by 23% as compared to the amorphous starting value and by 53% as compared to the value before the second heating. The crystallized alloy maintains ferromagnetic features in the whole temperature region during the heating up to 900 K.

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

Viscoelastic sliding and diffusive relaxation along grain boundaries in polycrystalline boron nitride

International Nuclear Information System (INIS)

Pezzotti, G.; Nishida, Toshihiko; Kleebe, H.J.; Ota, Kenichi

1997-01-01

Dense hexagonal boron nitride (BN) materials were prepared via two different processing routes: (1) hot-pressing with the addition of a Ca/B-containing glass and (2) chemical vapor deposition (CVD). The resulting microstructure of both materials was studied by scanning and transmission electron microscopy. While the hot-pressed BN material shows, apart from large BN matrix grains, an inhomogeneous distribution of residual glass at room temperature, the CVD deposition yields a homogeneous fine grained microstructure with no amorphous residue detectable. Internal-friction experiments were performed to study the micromechanical response of the materials when exposed to high temperatures. The CVD material revealed no relaxation peak during testing up to 2,300 C, while the glass-doped sample showed a pronounced relaxation peak at a peak-top temperature of about 600 C. This temperature corresponds to the softening temperature known for bulk Ca/B-glasses and it is, therefore, concluded that the glass homogeneously wets the BN grains at elevated temperatures. The results presented are seen as the first clear evidence that the internal friction peak monitored for various glass-containing ceramics is indeed related to a viscous sliding process along grain boundaries

Electrical and optical properties of amorphous indium zinc oxide films

International Nuclear Information System (INIS)

Ito, N.; Sato, Y.; Song, P.K.; Kaijio, A.; Inoue, K.; Shigesato, Y.

2006-01-01

Valence electron control and electron transport mechanisms on the amorphous indium zinc oxide (IZO) films were investigated. The amorphous IZO films were deposited by dc magnetron sputtering using an oxide ceramic IZO target (89.3 wt.% In 2 O 3 and 10.7 wt.% ZnO). N-type impurity dopings, such as Sn, Al or F, could not lead to the increase in carrier density in the IZO. Whereas, H 2 introduction into the IZO deposition process was confirmed to be effective to increase carrier density. By 30% H 2 introduction into the deposition process, carrier density increased from 3.08 x 10 2 to 7.65 x 10 2 cm -3 , which must be originated in generations of oxygen vacancies or interstitial Zn 2+ ions. Decrease in the transmittance in the near infrared region and increase in the optical band gap were observed with the H 2 introduction, which corresponded to the increase in carrier density. The lowest resistivity of 3.39 x 10 -4 Ω cm was obtained by 10% H 2 introduction without substrate heating during the deposition

Drift mobility of thermalized and highly energetic holes in thin layers of amorphous dielectric SiC

International Nuclear Information System (INIS)

Sielski, Jan; Jeszka, Jeremiasz K.

2012-01-01

The development of new technology in the electronics industry requires new dielectric materials. It is also important to understand the charge-carrier transport mechanism in these materials. We examined the hole drift mobility in amorphous SiC dielectric thin films using the time-of-flight (TOF) method. Charge carriers were generated using an electron gun. The generated holes gave a dispersive TOF signal and the mobility was low. For electric field strengths above 4 x 10 5 V cm -1 the drift mobility shows a very strong dependence on the electric field and a weak temperature dependence (transport of ''high-energy'' charge carriers). At lower electric fields and for thermalized charge carriers the mobility is practically field independent and thermally activated. The observed phenomenon was attributed to the changes in the effective energy of the generated carriers moving in the high electric fields and consequently in the density of localized states taking part in the transport. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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.

Relaxation model for extended magnetohydrodynamics: Comparison to magnetohydrodynamics for dense Z-pinches

International Nuclear Information System (INIS)

Seyler, C. E.; Martin, M. R.

2011-01-01

It is shown that the two-fluid model under a generalized Ohm's law formulation and the resistive magnetohydrodynamics (MHD) can both be described as relaxation systems. In the relaxation model, the under-resolved stiff source terms constrain the dynamics of a set of hyperbolic equations to give the correct asymptotic solution. When applied to the collisional two-fluid model, the relaxation of fast time scales associated with displacement current and finite electron mass allows for a natural transition from a system where Ohm's law determines the current density to a system where Ohm's law determines the electric field. This result is used to derive novel algorithms, which allow for multiscale simulation of low and high frequency extended-MHD physics. This relaxation formulation offers an efficient way to implicitly advance the Hall term and naturally simulate a plasma-vacuum interface without invoking phenomenological models. The relaxation model is implemented as an extended-MHD code, which is used to analyze pulsed power loads such as wire arrays and ablating foils. Two-dimensional simulations of pulsed power loads are compared for extended-MHD and MHD. For these simulations, it is also shown that the relaxation model properly recovers the resistive-MHD limit.

Over-relaxation phenomena during the set-up of RFP plasmas

International Nuclear Information System (INIS)

Nordlund, P.; Mazur, S.

1995-03-01

Experiments on the Extrap T1 reversed field pinch have shown that the formation of the RFP configuration is quite sensitive to the relative programming of the toroidal field and ohmic heating circuits. In this paper, new measurements of the evolution of the current density profile and of the spectral structure of the fluctuations during the set-up phase of RFP plasmas in the T1 experiment are presented. These measurements improve the understanding of the role of different spectral components in the dynamics of RFP formation. Under unfavourable (slow) set-up conditions, comparatively high energy is accumulated in m = 1 internal kinks prior to reversal of the edge toroidal fields. At reversal, nonlinearly driven m = 0 modes trigger a rapid broadening of the m = 1 spectrum. This behaviour is associated with a violent suppression of the current density in the core leading to an over-relaxation of the discharge involving a hollowing of the parallel current density profile. The over-relaxation phenomenon increases the volt-second consumption and plasma/wall interaction during RFP set-up, and degrades the flat-top discharge performance. 15 refs, 5 figs, 1 tab

Over-relaxation phenomena during the set-up of RFP plasmas

Energy Technology Data Exchange (ETDEWEB)

Nordlund, P.; Mazur, S.

1995-03-01

Experiments on the Extrap T1 reversed field pinch have shown that the formation of the RFP configuration is quite sensitive to the relative programming of the toroidal field and ohmic heating circuits. In this paper, new measurements of the evolution of the current density profile and of the spectral structure of the fluctuations during the set-up phase of RFP plasmas in the T1 experiment are presented. These measurements improve the understanding of the role of different spectral components in the dynamics of RFP formation. Under unfavourable (slow) set-up conditions, comparatively high energy is accumulated in m = 1 internal kinks prior to reversal of the edge toroidal fields. At reversal, nonlinearly driven m = 0 modes trigger a rapid broadening of the m = 1 spectrum. This behaviour is associated with a violent suppression of the current density in the core leading to an over-relaxation of the discharge involving a hollowing of the parallel current density profile. The over-relaxation phenomenon increases the volt-second consumption and plasma/wall interaction during RFP set-up, and degrades the flat-top discharge performance. 15 refs, 5 figs, 1 tab.

Controllable film densification and interface flatness for high-performance amorphous indium oxide based thin film transistors

Energy Technology Data Exchange (ETDEWEB)

Ou-Yang, Wei, E-mail: OUYANG.Wei@nims.go.jp, E-mail: TSUKAGOSHI.Kazuhito@nims.go.jp; Mitoma, Nobuhiko; Kizu, Takio; Gao, Xu; Lin, Meng-Fang; Tsukagoshi, Kazuhito, E-mail: OUYANG.Wei@nims.go.jp, E-mail: TSUKAGOSHI.Kazuhito@nims.go.jp [International Center for Materials Nanoarchitectronics (WPI-MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Nabatame, Toshihide [MANA Foundry and MANA Advanced Device Materials Group, National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan)

2014-10-20

To avoid the problem of air sensitive and wet-etched Zn and/or Ga contained amorphous oxide transistors, we propose an alternative amorphous semiconductor of indium silicon tungsten oxide as the channel material for thin film transistors. In this study, we employ the material to reveal the relation between the active thin film and the transistor performance with aid of x-ray reflectivity study. By adjusting the pre-annealing temperature, we find that the film densification and interface flatness between the film and gate insulator are crucial for achieving controllable high-performance transistors. The material and findings in the study are believed helpful for realizing controllable high-performance stable transistors.

The energy landscape of glassy dynamics on the amorphous hafnium diboride surface

Science.gov (United States)

Nguyen, Duc; Mallek, Justin; Cloud, Andrew N.; Abelson, John R.; Girolami, Gregory S.; Lyding, Joseph; Gruebele, Martin

2014-11-01

Direct visualization of the dynamics of structural glasses and amorphous solids on the sub-nanometer scale provides rich information unavailable from bulk or conventional single molecule techniques. We study the surface of hafnium diboride, a conductive ultrahigh temperature ceramic material that can be grown in amorphous films. Our scanning tunneling movies have a second-to-hour dynamic range and single-point current measurements extend that to the millisecond-to-minute time scale. On the a-HfB2 glass surface, two-state hopping of 1-2 nm diameter cooperatively rearranging regions or "clusters" occurs from sub-milliseconds to hours. We characterize individual clusters in detail through high-resolution (single cluster vertical displacements, we can reconstruct the local free energy landscape of individual clusters, complete with activation barrier height, a reaction coordinate in nanometers, and the shape of the free energy landscape basins between which hopping occurs. The experimental images are consistent with the compact shape of α-relaxors predicted by random first order transition theory, whereas the rapid hopping rate, even taking less confined motion at the surface into account, is consistent with β-relaxations. We make a proposal of how "mixed" features can show up in surface dynamics of glasses.

Green--Kubo formula for collisional relaxation

International Nuclear Information System (INIS)

Visscher, P.B.

1988-01-01

In this paper we generalize the Green--Kubo method (usually used for obtaining formulas for transport coefficients involving conserved densities) to relaxation processes occurring during collisions, such as the transfer of energy from vibrational to translational modes in a molecular fluid. We show that the relaxation rate can be calculated without evaluating time correlation functions over long times, and can in fact be written as a sum over collisions which makes the relation between the Green--Kubo method and approximate independent-collision models much clearer

Neutron Scattering Analysis of Water's Glass Transition and Micropore Collapse in Amorphous Solid Water.

Science.gov (United States)

Hill, Catherine R; Mitterdorfer, Christian; Youngs, Tristan G A; Bowron, Daniel T; Fraser, Helen J; Loerting, Thomas

2016-05-27

The question of the nature of water's glass transition has continued to be disputed over many years. Here we use slow heating scans (0.4  K min^{-1}) of compact amorphous solid water deposited at 77 K and an analysis of the accompanying changes in the small-angle neutron scattering signal, to study mesoscale changes in the ice network topology. From the data we infer the onset of rotational diffusion at 115 K, a sudden switchover from nondiffusive motion and enthalpy relaxation of the network at 121  K, in excellent agreement with the glass transition onset deduced from heat capacity and dielectric measurements. This indicates that water's glass transition is linked with long-range transport of water molecules on the time scale of minutes and, thus, clarifies its nature. Furthermore, the slow heating rates combined with the high crystallization resistance of the amorphous sample allow us to identify the glass transition end point at 136 K, which is well separated from the crystallization onset at 144 K-in contrast to all earlier experiments in the field.

An IR investigation of solid amorphous ethanol - Spectra, properties, and phase changes

Science.gov (United States)

Hudson, Reggie L.

2017-12-01

Mid- and far-infrared spectra of condensed ethanol (CH3CH2OH) at 10-160 K are presented, with a special focus on amorphous ethanol, the form of greatest astrochemical interest, and with special attention given to changes at 155-160 K. Infrared spectra of amorphous and crystalline forms are shown. The refractive index at 670 nm of amorphous ethanol at 16 K is reported, along with three IR band strengths and a density. A comparison is made to recent work on the isoelectronic compound ethanethiol (CH3CH2SH), and several astrochemical applications are suggested for future study.

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.

Amorphous Silicon-Germanium Films with Embedded Nano crystals for Thermal Detectors with Very High Sensitivity

International Nuclear Information System (INIS)

Calleja, C.; Torres, A.; Rosales-Quintero, P.; Moreno, M.

2016-01-01

We have optimized the deposition conditions of amorphous silicon-germanium films with embedded nano crystals in a plasma enhanced chemical vapor deposition (PECVD) reactor, working at a standard frequency of 13.56 MHz. The objective was to produce films with very large Temperature Coefficient of Resistance (TCR), which is a signature of the sensitivity in thermal detectors (micro bolometers). Morphological, electrical, and optical characterization were performed in the films, and we found optimal conditions for obtaining films with very high values of thermal coefficient of resistance (TCR = 7.9%K -1 ). Our results show that amorphous silicon-germanium films with embedded nano crystals can be used as thermo sensitive films in high performance infrared focal plane arrays (IRFPAs) used in commercial thermal cameras.

One-Pot Synthesis of Tunable Crystalline Ni3 S4 @Amorphous MoS2 Core/Shell Nanospheres for High-Performance Supercapacitors.

Science.gov (United States)

Zhang, Yu; Sun, Wenping; Rui, Xianhong; Li, Bing; Tan, Hui Teng; Guo, Guilue; Madhavi, Srinivasan; Zong, Yun; Yan, Qingyu

2015-08-12

Transition metal sulfides gain much attention as electrode materials for supercapacitors due to their rich redox chemistry and high electrical conductivity. Designing hierarchical nanostructures is an efficient approach to fully utilize merits of each component. In this work, amorphous MoS(2) is firstly demonstrated to show specific capacitance 1.6 times as that of the crystalline counterpart. Then, crystalline core@amorphous shell (Ni(3)S(4)@MoS(2)) is prepared by a facile one-pot process. The diameter of the core and the thickness of the shell can be independently tuned. Taking advantages of flexible protection of amorphous shell and high capacitance of the conductive core, Ni(3)S(4) @amorphous MoS(2) nanospheres are tested as supercapacitor electrodes, which exhibit high specific capacitance of 1440.9 F g(-1) at 2 A g(-1) and a good capacitance retention of 90.7% after 3000 cycles at 10 A g(-1). This design of crystalline core@amorphous shell architecture may open up new strategies for synthesizing promising electrode materials for supercapacitors. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Differences between pressure-induced densification of LiCl-H{sub 2}O glass and polyamorphic transition of H{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Suzuki, Yoshiharu; Mishima, Osamu [Polyamorphism Group, Advanced Nano Materials Laboratory, National Institute for Materials Science, Namiki 1-1, Tsukuba, Ibaraki, 305-0044 (Japan)], E-mail: SUZUKI.Yoshiharu@nims.go.jp

2009-04-15

We perform volumetric measurements of LiCl aqueous solution up to 1.00 GPa in the 100-170 K range, examine the pressure-induced vitrification and densification, and draw the pressure-temperature-volume surface. The pressure-induced vitrification of the solution corresponds to the cooling-induced vitrification of the liquid. We found that the volumetric decrease of glassy solution during the densification is continuous and this behavior depends on the glassy state before the compression. Raman profiles of the glassy solutions before and after the densification are similar. In contrast, the polyamorphic transition from low-density amorphous ice (LDA) to high-density amorphous ice (HDA) is discontinuous and their Raman profile before and after the transition is distinct. These results suggest that the densification relates to the structural relaxation and differs intrinsically from the polyamorphic transition. Furthermore, the densification of HDA is observed under high pressure, suggesting that very high-density amorphous ice (VHDA) may be the densified HDA. In order to recognize a polyamorphic transition under a non-equilibrium condition correctly, evidence of not only large volume change but also some distinct structural changes in glassy state is necessary.

Differences between pressure-induced densification of LiCl-H2O glass and polyamorphic transition of H2O

International Nuclear Information System (INIS)

Suzuki, Yoshiharu; Mishima, Osamu

2009-01-01

We perform volumetric measurements of LiCl aqueous solution up to 1.00 GPa in the 100-170 K range, examine the pressure-induced vitrification and densification, and draw the pressure-temperature-volume surface. The pressure-induced vitrification of the solution corresponds to the cooling-induced vitrification of the liquid. We found that the volumetric decrease of glassy solution during the densification is continuous and this behavior depends on the glassy state before the compression. Raman profiles of the glassy solutions before and after the densification are similar. In contrast, the polyamorphic transition from low-density amorphous ice (LDA) to high-density amorphous ice (HDA) is discontinuous and their Raman profile before and after the transition is distinct. These results suggest that the densification relates to the structural relaxation and differs intrinsically from the polyamorphic transition. Furthermore, the densification of HDA is observed under high pressure, suggesting that very high-density amorphous ice (VHDA) may be the densified HDA. In order to recognize a polyamorphic transition under a non-equilibrium condition correctly, evidence of not only large volume change but also some distinct structural changes in glassy state is necessary.

Mn-Zn ferrite nanoparticles with silica and titania coatings: synthesis, transverse relaxivity and cytotoxicity

Czech Academy of Sciences Publication Activity Database

Kaman, Ondřej; Kuličková, Jarmila; Maryško, Miroslav; Veverka, Pavel; Herynek, V.; Havelek, R.; Královec, K.; Kubániová, D.; Kohout, J.; Dvořák, P.; Jirák, Zdeněk

2017-01-01

Roč. 53, č. 11 (2017), s. 1-8, č. článku 5300908. ISSN 0018-9464 R&D Projects: GA ČR GA16-04340S Institutional support: RVO:68378271 Keywords : amorphous titania * silica * magnetic nanoparticles * Mn-Zn ferrite * transverse relaxivity * cytotoxicity Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 1.243, year: 2016

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

Conversion of nuclear waste to molten glass: Formation of porous amorphous alumina in a high-Al melter feed

Science.gov (United States)

Xu, Kai; Hrma, Pavel; Washton, Nancy; Schweiger, Michael J.; Kruger, Albert A.

2017-01-01

The transition of Al phases in a simulated high-Al high-level nuclear waste melter feed heated at 5 K min-1 to 700 °C was investigated with transmission electron microscopy, 27Al nuclear magnetic resonance spectroscopy, the Brunauer-Emmett-Teller method, and X-ray diffraction. At temperatures between 300 and 500 °C, porous amorphous alumina formed from the dehydration of gibbsite, resulting in increased specific surface area of the feed (∼8 m2 g-1). The high-surface-area amorphous alumina formed in this manner could potentially stop salt migration in the cold cap during nuclear waste vitrification.

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

Enhanced thermoelectric performance of amorphous Nb based oxynitrides

Science.gov (United States)

Music, Denis; Geyer, Richard W.; Hans, Marcus

2015-12-01

Using density functional theory, amorphous Nb0.27Ru0.06O0.56N0.10 was designed to facilitate a combination of an enhanced Seebeck coefficient and low electrical resistivity. Based on a positive Cauchy pressure, ductile behavior is expected. To verify these predictions, the transport and mechanical properties of amorphous thin films were evaluated. Metallic electrical resistivity and the Seebeck coefficient of -94 μV K-1 are obtained, which is consistent with our predictions. As there is no crack formation, these samples can be perceived as ductile. We demonstrate that the power factor can be increased by an order of magnitude, while keeping the thermal fatigue low.

Superconducting fluctuations and characteristic time scales in amorphous WSi

Science.gov (United States)

Zhang, Xiaofu; Lita, Adriana E.; Sidorova, Mariia; Verma, Varun B.; Wang, Qiang; Nam, Sae Woo; Semenov, Alexei; Schilling, Andreas

2018-05-01

We study magnitudes and temperature dependencies of the electron-electron and electron-phonon interaction times which play the dominant role in the formation and relaxation of photon-induced hotspots in two-dimensional amorphous WSi films. The time constants are obtained through magnetoconductance measurements in a perpendicular magnetic field in the superconducting fluctuation regime and through time-resolved photoresponse to optical pulses. The excess magnetoconductivity is interpreted in terms of the weak-localization effect and superconducting fluctuations. Aslamazov-Larkin and Maki-Thompson superconducting fluctuations alone fail to reproduce the magnetic field dependence in the relatively high magnetic field range when the temperature is rather close to Tc because the suppression of the electronic density of states due to the formation of short-lifetime Cooper pairs needs to be considered. The time scale τi of inelastic scattering is ascribed to a combination of electron-electron (τe -e) and electron-phonon (τe -p h) interaction times, and a characteristic electron-fluctuation time (τe -f l) , which makes it possible to extract their magnitudes and temperature dependencies from the measured τi. The ratio of phonon-electron (τp h -e) and electron-phonon interaction times is obtained via measurements of the optical photoresponse of WSi microbridges. Relatively large τe -p h/τp h -e and τe -p h/τe -e ratios ensure that in WSi the photon energy is more efficiently confined in the electron subsystem than in other materials commonly used in the technology of superconducting nanowire single-photon detectors (SNSPDs). We discuss the impact of interaction times on the hotspot dynamics and compare relevant metrics of SNSPDs from different 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

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.).

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

Microstructure and mechanical properties of the NiNbZrTiAl amorphous alloys with 10 and 25 at.% Nb content.

Science.gov (United States)

Czeppe, T; Ochin, P; Sypień, A; Major, L

2010-03-01

The results of investigation of two different Ni-based glasses with compositions Ni(58)Nb(10)Zr(13)Ti(12)Al(7) and Ni(58)Nb(25)Zr(8)Ti(6)Al(3) are presented. The structure of the melt spun ribbons was amorphous. The supercooled liquid range decreased and primary crystallization temperature increased with increasing Nb content while the parameter T(g)/T(m) slightly increased. The crystallization process proceeded in a different way. The ribbon containing 10 at.% Nb showed typical primary crystallization of the 50 nm grains of the NiTi(Nb) cubic phase; the ribbon containing 25 at.% of Nb revealed high thermal stability of the amorphous phase, which crystallized only in a small amount in the range of primary crystallization, preserving large fraction of the amorphous phase even high above the end of the crystallization. The tensile load-displacement curves were also different. In both cases, the ribbons revealed quite a large range of the plastic elongation. The ribbon containing 10% Nb showed stress relaxation and was maximally elongated up to 0.6. The ribbon with 25 at.% Nb revealed a hardening effect and the slightly smaller maximal elongation following it. The microstructure of the deformed specimens showed deformation bands parallel to the tensile axis, microcracks formation along shear bands and river-like pattern at the fracture surfaces. In both cases, high resolution electron microscope did not reveal any crystallization after deformation.

Effect of Co content on structure and magnetic behaviors of high induction Fe-based amorphous alloys

Energy Technology Data Exchange (ETDEWEB)

Roy, Rajat K., E-mail: rajat@nmlindia.org; Panda, Ashis K.; Mitra, Amitava

2016-11-15

The replacement of Fe with Co is investigated in the (Fe{sub 1−x}Co{sub x}){sub 79}Si{sub 8.5}B{sub 8.5}Nb{sub 3}Cu{sub 1} (x=0, 0.05, 0.2, 0.35, 0.5) amorphous alloys. The alloys are synthesized in the forms of ribbons by single roller melt spinning technique, and the structural and magnetic properties of annealed ribbons are characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM) and vibrating sample magnetometer (VSM), B–H curve tracer, respectively. All as-cast alloys are structurally amorphous, however, their magnetic properties are varying with Co addition. The Co addition within 5–20 at% results in moderate thermal stability, saturation induction, Curie temperature and lowest coercivity, while 35 at% Co causes highest saturation induction, coercivity, Curie temperature and lowest thermal stability. On devitrification, the magnetic properties change with the generation of α-FeCo nanocrystallites and (FeCo){sub 23}B{sub 6}, Fe{sub 2}B phases during primary and secondary crystallization stages, respectively. A small amount Co is advantageous for maintaining finer nanocrystallites in amorphous matrix even after annealing at 600 °C, leading to high saturation magnetization (>1.5 T) and low coercivity (~35 A/m). The improved magnetic properties at elevated temperatures indicate these alloys have a potential for high frequency transformer core applications. - Highlights: • The structural and magnetic behaviors of Fe based amorphous alloys have been investigated with the effect of Co content. • The Co has no adverse effect on amorphization of alloys. • A small amount Co causes the superior improvement of magnetic properties at elevated temperatures. • Therefore, it is important not only for academic research but also for industrial applied research.

High-frequency permeability in double-layered structure of amorphous Co-Ta-Zr films

International Nuclear Information System (INIS)

Ochiai, Y.; Hayakawa, M.; Hayashi, K.; Aso, K.

1988-01-01

The high-frequency permeability of amorphous Co-Ta-Zr films was studied and the frequency dependence was described in terms of the eddy-current-loss formula. For the double-layered structure intervened with SiO 2 film, the degradation of the permeability became apparent with the decrease of SiO 2 thickness

Relaxation path of metastable nanoclusters in oxide dispersion strengthened materials

Energy Technology Data Exchange (ETDEWEB)

Ribis, J., E-mail: joel.ribis@cea.fr [DEN-Service de Recherches Métallurgiques Appliquées, CEA, Université Paris-Saclay, F-91191, Gif-sur-Yvette (France); Thual, M.A. [LLB, CEA, CNRS, Université Paris-Saclay, CEA Saclay, 91191, Gif-sur-Yvette (France); Guilbert, T.; Carlan, Y. de [DEN-Service de Recherches Métallurgiques Appliquées, CEA, Université Paris-Saclay, F-91191, Gif-sur-Yvette (France); Legris, A. [UMET, CNRS/UMR 8207, Bât. C6, Univ. Lille 1, 59655 Villeneuve d’Ascq (France)

2017-02-15

ODS steels are a promising class of structural materials for sodium cooled fast reactor application. The ultra-high density of the strengthening nanoclusters dispersed within the ferritic matrix is responsible of the excellent creep properties of the alloy. Fine characterization of the nanoclusters has been conducted on a Fe-14Cr-0.3Ti-0.3Y{sub 2}O{sub 3} ODS material using High Resolution and Energy Filtered Transmission Electron Microscopy. The nanoclusters exhibit a cubic symmetry possibly identified as f.c.c and display a non-equilibrium YTiCrO chemical composition thought to be stabilized by a vacancy supersaturation. These nanoclusters undergo relaxation towards the Y{sub 2}Ti{sub 2}O{sub 7}-like state as they grow. A Cr shell is observed around the relaxed nano-oxides, this size-dependent shell may form after the release of Cr by the particles. The relaxation energy barrier appears to be higher for the smaller particles probably owing to a volume/surface ratio effect in reason to the full coherency of the nanoclusters. - Highlights: • The nanoclusters display a f.c.c. cubic symmetry and a non-equilibrium YTiCrO chemical composition. • During thermal annealing the coherent nanocluster transform into semi-coherent pyrochlore particles. • A Cr ring is observed around the relaxed pyrochlore type particles.

Aging mechanisms in amorphous phase-change materials.

Science.gov (United States)

Raty, Jean Yves; Zhang, Wei; Luckas, Jennifer; Chen, Chao; Mazzarello, Riccardo; Bichara, Christophe; Wuttig, Matthias

2015-06-24

Aging is a ubiquitous phenomenon in glasses. In the case of phase-change materials, it leads to a drift in the electrical resistance, which hinders the development of ultrahigh density storage devices. Here we elucidate the aging process in amorphous GeTe, a prototypical phase-change material, by advanced numerical simulations, photothermal deflection spectroscopy and impedance spectroscopy experiments. We show that aging is accompanied by a progressive change of the local chemical order towards the crystalline one. Yet, the glass evolves towards a covalent amorphous network with increasing Peierls distortion, whose structural and electronic properties drift away from those of the resonantly bonded crystal. This behaviour sets phase-change materials apart from conventional glass-forming systems, which display the same local structure and bonding in both phases.

Influence of Weak External Magnetic Field on Amorphous and Nanocrystalline Fe-based Alloys

Science.gov (United States)

Degmová, J.; Sitek, J.

2010-07-01

Nanoperm, Hitperm and Finamet amorphous and nanocrystalline alloys were measured by Mössbauer spectrometry in a weak external magnetic field of 0.5 T. It was shown that the most sensitive parameters of Mössbauer spectra are the intensities of the 2nd and the 5th lines. Rather small changes were observed also in the case of internal magnetic field values. The spectrum of nanocrystalline Nanoperm showed the increase in A23 parameter (ratio of line intensities) from 2.4 to 3.7 and decrease of internal magnetic field from 20 to 19 T for amorphous subspectrum under the influence of magnetic field. Spectrum of nanocrystalline Finemet shown decrease in A23 parameter from 3.5 to 2.6 almost without a change in the internal magnetic field value. In the case of amorphous Nanoperm and Finemet samples, the changes are almost negligible. Hitperm alloy showed the highest sensitivity to the weak magnetic field, when the A23 parameter increased from 0.4 to 2.5 in the external magnetic fields. The A23 parameter of crystalline subspectrum increased from 2.7 to 3.8 and the value of internal magnetic field corresponding to amorphous subspectrum increased from 22 to 24 T. The behavior of nanocrystalline alloys under weak external magnetic field was analyzed within the three-level relaxation model of magnetic dynamics in an assembly of single-domain particles.

On Improving Convergence Rates for Nonnegative Kernel Density Estimators

OpenAIRE

Terrell, George R.; Scott, David W.

1980-01-01

To improve the rate of decrease of integrated mean square error for nonparametric kernel density estimators beyond $0(n^{-\\frac{4}{5}}),$ we must relax the constraint that the density estimate be a bonafide density function, that is, be nonnegative and integrate to one. All current methods for kernel (and orthogonal series) estimators relax the nonnegativity constraint. In this paper we show how to achieve similar improvement by relaxing the integral constraint only. This is important in appl...

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)

Amorphous and liquid samples structure and density measurements at high pressure - high temperature using diffraction and imaging techniques

Science.gov (United States)

Guignot, N.; King, A.; Clark, A. N.; Perrillat, J. P.; Boulard, E.; Morard, G.; Deslandes, J. P.; Itié, J. P.; Ritter, X.; Sanchez-Valle, C.

2016-12-01

Determination of the density and structure of liquids such as iron alloys, silicates and carbonates is a key to understand deep Earth structure and dynamics. X-ray diffraction provided by large synchrotron facilities gives excellent results as long as the signal scattered from the sample can be isolated from its environment. Different techniques already exist; we present here the implementation and the first results given by the combined angle- and energy-dispersive structural analysis and refinement (CAESAR) technique introduced by Wang et al. in 2004, that has never been used in this context. It has several advantages in the study of liquids: 1/ the standard energy-dispersive technique (EDX), fast and compatible with large multi-anvil presses frames, is used for fast analysis free of signal pollution from the sample environment 2/ some limitations of the EDX technique (homogeneity of the sample, low resolution) are irrelevant in the case of liquid signals, others (wrong intensities, escape peaks artifacts, background subtraction) are solved by the CAESAR technique 3/ high Q data (up to 15 A-1 and more) can be obtained in a few hours (usually less than 2). We present here the facilities available on the PSICHE beamline (SOLEIL synchrotron, France) and a few results obtained using a Paris-Edinburgh (PE) press and a 1200 tons load capacity multi-anvil press with a (100) DIA compression module. X-ray microtomography, used in conjunction with a PE press featuring rotating anvils (RotoPEc, Philippe et al., 2013) is also very effective, by simply measuring the 3D volume of glass or liquid spheres at HPHT, thus providing density. This can be done in conjunction with the CAESAR technique and we illustrate this point. Finally, absorption profiles can be obtained via imaging techniques, providing another independent way to measure the density of these materials. References Y. Wang et al., A new technique for angle-dispersive powder diffraction using an energy

High-efficiency amorphous silicon solar cell on a periodic nanocone back reflector

Energy Technology Data Exchange (ETDEWEB)

Hsu, Ching-Mei; Cui, Yi [Department of Materials Science and Engineering, Durand Building, 496 Lomita Mall, Stanford University, Stanford, CA 94305-4034 (United States); Battaglia, Corsin; Pahud, Celine; Haug, Franz-Josef; Ballif, Christophe [Ecole Polytechnique Federale de Lausanne (EPFL), Institute of Microengineering (IMT), Photovoltaics and Thin Film Electronics Laboratory, Rue Breguet 2, 2000 Neuchatel (Switzerland); Ruan, Zhichao; Fan, Shanhui [Department of Electrical Engineering, Stanford University (United States)

2012-06-15

An amorphous silicon solar cell on a periodic nanocone back reflector with a high 9.7% initial conversion efficiency is presented. The optimized back-reflector morphology provides powerful light trapping and enables excellent electrical cell performance. Up-scaling to industrial production of large-area modules should be possible using nanoimprint lithography. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Lattice Distortion Mediated Paramagnetic Relaxation in High-Spin High-Symmetry Molecular Magnets

Science.gov (United States)

Garg, Anupam

1998-08-01

Field-dependent maxima in the relaxation rate of the magnetic molecules Mn12-Ac and Fe8-tacn have commonly been ascribed to some resonant tunneling phenomena. We argue instead that the relaxation is purely due to phonons. The rate maxima arise because of a Jahn-Teller-like distortion caused by the coupling of phonons to degenerate Zeeman levels of the molecule at the top of the barrier. The binding energy of the distorted intermediate states lowers the barrier height and increases the relaxation rate. A nonperturbative calculation of this effect is carried out for a model system. An approximate result for the field variation near a maximum is found to agree reasonably with experiment.

Thermal effect on structural and magnetic properties of Fe78B13Si9 annealed amorphous ribbons

Science.gov (United States)

Soltani, Mohamed Larbi; Touares, Abdelhay; Aboki, Tiburce A. M.; Gasser, Jean-Georges

2017-08-01

In the present work, we study the influence of thermal treatments on the magnetic properties of as-quenched and pre-crystallized Fe78Si9B13 after stress relaxation. The crystallization behavior of amorphous and treated Fe78Si9B13 ribbons was revisited. The measurements were carried out by means of Differential Scanning Calorimetry, by X-ray diffraction and by Vibrating Sample Magnetometer, Susceptometer and fluxmeter. Relaxed samples were heated in the resistivity device up to 700°C and annealed near the onset temperature about 420°C for respectively 1, 3, 5, 8 hours. In as-quenched samples, two transition points occur at about 505°C and 564°C but in relaxed sample, the transition points have been found about 552°C and 568°C. Kinetics of crystallization was deduced for all studied samples. Annealing of the as-purchased ribbon shows the occurrence of α-Fe and tetragonal Fe3B resulting from the crystallization of the remaining amorphous phase. The effects on magnetic properties were pointed out by relating the structural evolution of the samples. The magnetic measurements show that annealing change the saturation magnetization and the coercive magnetic field values, hence destroying the good magnetic properties of the material. The heat treatment shows that the crystallization has greatly altered the shape of the cycles and moved the magnetic saturation point of the samples. The effect of treatment on the magneto-crystalline anisotropy is also demonstrated.

Density functional/molecular dynamics simulations of nucleus-driven crystallization of amorphous Ge2Sb2Te5

Energy Technology Data Exchange (ETDEWEB)

Akola, Jaakko [Department of Physics, Tampere University of Technology (Finland); COMP Centre of Excellence, Department of Applied Physics, Aalto University (Finland); GRSS and PGI-1, Forschungszentrum Juelich (Germany); Kalikka, Janne; Larrucea, Julen [Nanoscience Center, Department of Physics, University of Jyvaeskylae (Finland); Jones, Robert O. [GRSS and PGI-1, Forschungszentrum Juelich (Germany)

2013-07-01

Early stages of nucleus-driven crystallization of the prototype phase change material Ge{sub 2}Sb{sub 2}Te{sub 5} have been studied by massively-parallel density functional/molecular dynamics simulations for amorphous samples (460 and 648 atoms) at 500, 600, and 700 K. All systems assumed a fixed cubic seed of 58 atoms and 6 vacancies in order to achieve sub-nanosecond phase transition. Crystallization occurs within 600 ps for the 460-atom system at 600 and 700 K, and signs of crystallization (nucleus growth, percolation) are present in the others. Crystallization is accompanied by an increase in the number of ABAB squares (A: Ge,Sb, B: Te), and atoms of all elements move significantly. The evolution of cavities/vacancies is closely monitored. The existence of Te-Te, Ge-Ge, Ge-Sb, and Sb-Sb (wrong) bonds is an inevitable consequence of rapid crystallization.

Soft magnetic characteristics of laminated magnetic block cores assembled with a high Bs nanocrystalline alloy

Directory of Open Access Journals (Sweden)

Atsushi Yao

2018-05-01

Full Text Available This paper focuses on an evaluation of core losses in laminated magnetic block cores assembled with a high Bs nanocrystalline alloy in high magnetic flux density region. To discuss the soft magnetic properties of the high Bs block cores, the comparison with amorphous (SA1 block cores is also performed. In the high Bs block core, both low core losses and high saturation flux densities Bs are satisfied in the low frequency region. Furthermore, in the laminated block core made of the high Bs alloy, the rate of increase of iron losses as a function of the magnetic flux density remains small up to around 1.6 T, which cannot be realized in conventional laminated block cores based on amorphous alloy. The block core made of the high Bs alloy exhibits comparable core loss with that of amorphous alloy core in the high-frequency region. Thus, it is expected that this laminated high Bs block core can achieve low core losses and high saturation flux densities in the high-frequency region.

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.

Resonances in field-cycling NMR on molecular crystals. (reversible) Spin dynamics or (irreversible) relaxation?; Resonanzen in Field-Cycling-NMR an Molekuelkristallen. (reversible) Spindynamik oder (irreversible) Relaxation?

Energy Technology Data Exchange (ETDEWEB)

Tacke, Christian

2015-07-01

Multi spin systems with spin 1/2 nuclei and dipolar coupled quadrupolar nuclei can show so called ''quadrupolar dips''. There are two main reasons for this behavior: polarization transfer and relaxation. They look quite alike and without additional research cannot be differentiated easily in most cases. These two phenomena have quite different physical and theoretical backgrounds. For no or very slow dynamics, polarization transfer will take place, which is energy conserving inside the spin system. This effect can entirely be described using quantum mechanics on the spin system. Detailed knowledge about the crystallography is needed, because this affects the relevant hamiltonians directly. For systems with fast enough dynamics, relaxation takes over, and the energy flows from the spin system to the lattice; thus a more complex theoretical description is needed. This description has to include a dynamic model, usually in the form of a spectral density function. Both models should include detailed modelling of the complete spin system. A software library was developed to be able to model complex spin systems. It allows to simulate polarization transfer or relaxation effects. NMR measurements were performed on the protonic conductor K{sub 3}H(SO{sub 4}){sub 2}. A single crystal shows sharp quadrupolar dips at room temperature. Dynamics could be excluded using relaxation measurements and literature values. Thus, a polarization transfer analysis was used to describe those dips with good agreement. As a second system, imidazolium based molecular crystals were analyzed. The quadrupolar dips were expected to be caused by polarization transfer; this was carefully analyzed and found not to be true. A relaxation based analysis shows good agreement with the measured data in the high temperature area. It leverages a two step spectral density function, which indicates two distinct dynamic processes happening in this system.

Changes in electrical transport and density of states of phase change materials upon resistance drift

International Nuclear Information System (INIS)

Krebs, Daniel; Bachmann, Tobias; Jonnalagadda, Prasad; Dellmann, Laurent; Raoux, Simone

2014-01-01

Phase-change memory technology has become more mature in recent years. But some fundamental problems linked to the electrical transport properties in the amorphous phase of phase-change materials still need to be solved. The increase of resistance over time, called resistance drift, for example, poses a major challenge for the implementation of multilevel storage, which will eventually be necessary to remain competitive in terms of high storage densities. To link structural properties with electrical transport, a broader knowledge of (i) changes in the density of states (DoS) upon structural relaxation and (ii) the influence of defects on electrical transport is required. In this paper, we present temperature-dependent conductivity and photo-conductivity measurements on the archetype phase change material GeTe. It is shown that trap-limited band transport at high temperatures (above 165 K) and variable range hopping at low temperatures are the predominating transport mechanism. Based on measurements of the temperature dependence of the optical band gap, modulated photo-conductivity and photo-thermal deflection spectroscopy, a DoS model for GeTe was proposed. Using this DoS, the temperature dependence of conductivity and photo-conductivity has been simulated. Our work shows how changes in the DoS (band gap and defect distributions) will affect the electrical transport before and after temperature-accelerated drift. The decrease in conductivity upon annealing can be explained entirely by an increase of the band gap by about 12%. However, low-temperature photo-conductivity measurements revealed that a change in the defect density may also play a role

Radiation amorphization of materials

International Nuclear Information System (INIS)

Neklyudov, I.M.; Chernyaeva, T.P.

1993-01-01

The results of experimental and theoretical research on radiation amorphization are presented in this analytical review. Mechanism and driving forces of radiation amorphization are described, kinetic and thermodynamic conditions of amorphization are formulated. Compositional criteria of radiation amorphization are presented, that allow to predict irradiation behaviour of materials, their tendency to radiation amorphization. Mechanism of transition from crystalline state to amorphous state are considered depending on dose, temperature, structure of primary radiation damage and flux level. (author). 134 refs., 4 tab., 25 fig

The Soft-Confined Method for Creating Molecular Models of Amorphous Polymer Surfaces

KAUST Repository

Liu, Hongyi; Li, Yan; Krause, Wendy E.; Rojas, Orlando J.; Pasquinelli, Melissa A.

2012-01-01

The goal of this work was to use molecular dynamics (MD) simulations to build amorphous surface layers of polypropylene (PP) and cellulose and to inspect their physical and interfacial properties. A new method to produce molecular models for these surfaces was developed, which involved the use of a "soft" confining layer comprised of a xenon crystal. This method compacts the polymers into a density distribution and a degree of molecular surface roughness that corresponds well to experimental values. In addition, calculated properties such as density, cohesive energy density, coefficient of thermal expansion, and the surface energy agree with experimental values and thus validate the use of soft confining layers. The method can be applied to polymers with a linear backbone such as PP as well as those whose backbones contain rings, such as cellulose. The developed PP and cellulose surfaces were characterized by their interactions with water. It was found that a water nanodroplet spreads on the amorphous cellulose surfaces, but there was no significant change in the dimension of the droplet on the PP surface; the resulting MD water contact angles on PP and amorphous cellulose surfaces were determined to be 106 and 33°, respectively. © 2012 American Chemical Society.

The Soft-Confined Method for Creating Molecular Models of Amorphous Polymer Surfaces

KAUST Repository

Liu, Hongyi

2012-02-09

The goal of this work was to use molecular dynamics (MD) simulations to build amorphous surface layers of polypropylene (PP) and cellulose and to inspect their physical and interfacial properties. A new method to produce molecular models for these surfaces was developed, which involved the use of a "soft" confining layer comprised of a xenon crystal. This method compacts the polymers into a density distribution and a degree of molecular surface roughness that corresponds well to experimental values. In addition, calculated properties such as density, cohesive energy density, coefficient of thermal expansion, and the surface energy agree with experimental values and thus validate the use of soft confining layers. The method can be applied to polymers with a linear backbone such as PP as well as those whose backbones contain rings, such as cellulose. The developed PP and cellulose surfaces were characterized by their interactions with water. It was found that a water nanodroplet spreads on the amorphous cellulose surfaces, but there was no significant change in the dimension of the droplet on the PP surface; the resulting MD water contact angles on PP and amorphous cellulose surfaces were determined to be 106 and 33°, respectively. © 2012 American Chemical Society.

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.

The application of Car-Parrinello molecular dynamics to the study of tetrahedral amorphous carbon

International Nuclear Information System (INIS)

McKenzie, D.R.; McCulloch, D.G.; Goringe, C.M.

1998-01-01

The Car-Parrinello method for carrying out molecular dynamics enables the forces between atoms to be calculated by solving Schroedinger's equation for the valence electrons using Density Functional Theory. The method is capable of giving good structural predictions for amorphous network solids by quenching from the melt, even in situations where the bonding changes from one site to another. In amorphous carbon where, depending on its environment, carbon may show sp 2 or sp 3 bonds. The method is applied here to the study of network solids using the example of tetrahedral amorphous carbon

Methods of amorphization and investigation of the amorphous state

OpenAIRE

EINFALT, TOMAŽ; PLANINŠEK, ODON; HROVAT, KLEMEN

2013-01-01

The amorphous form of pharmaceutical materials represents the most energetic solid state of a material. It provides advantages in terms of dissolution rate and bioavailability. This review presents the methods of solid-state amorphization described in literature (supercooling of liquids, milling, lyophilization, spray drying, dehydration of crystalline hydrates), with the emphasis on milling. Furthermore, we describe how amorphous state of pharmaceuticals differ depending on method of prepara...

A transparent diode with high rectifying ratio using amorphous indium-gallium-zinc oxide/SiN{sub x} coupled junction

Energy Technology Data Exchange (ETDEWEB)

Choi, Myung-Jea; Kim, Myeong-Ho; Choi, Duck-Kyun, E-mail: duck@hanyang.ac.kr [Department of Materials Science and Engineering, Hanyang University, Seoul 133-791 (Korea, Republic of)

2015-08-03

We introduce a transparent diode that shows both high rectifying ratio and low leakage current at process temperature below 250 °C. This device is clearly distinguished from all previous transparent diodes in that the rectifying behavior results from the junction between a semiconductor (amorphous indium-gallium-zinc oxide (a-IGZO)) and insulator (SiN{sub x}). We systematically study the properties of each junction within the device structure and demonstrate that the a-IGZO/SiN{sub x} junction is the source of the outstanding rectification. The electrical characteristics of this transparent diode are: 2.8 A/cm{sup 2} on-current density measured at −7 V; lower than 7.3 × 10{sup −9} A/cm{sup 2} off-current density; 2.53 ideality factor; and high rectifying ratio of 10{sup 8}–10{sup 9}. Furthermore, the diode structure has a transmittance of over 80% across the visible light range. The operating principle of the indium-tin oxide (ITO)/a-IGZO/SiN{sub x}/ITO device was examined with an aid of the energy band diagram and we propose a preliminary model for the rectifying behavior. Finally, we suggest further directions for research on this transparent diode.

Nuclear spin relaxation due to chemical shift anisotropy of gas-phase 129Xe.

Science.gov (United States)

Hanni, Matti; Lantto, Perttu; Vaara, Juha

2011-08-14

Nuclear spin relaxation provides detailed dynamical information on molecular systems and materials. Here, first-principles modeling of the chemical shift anisotropy (CSA) relaxation time for the prototypic monoatomic (129)Xe gas is carried out, both complementing and predicting the results of NMR measurements. Our approach is based on molecular dynamics simulations combined with pre-parametrized ab initio binary nuclear shielding tensors, an "NMR force field". By using the Redfield relaxation formalism, the simulated CSA time correlation functions lead to spectral density functions that, for the first time, quantitatively determine the experimental spin-lattice relaxation times T(1). The quality requirements on both the Xe-Xe interaction potential and binary shielding tensor are investigated in the context of CSA T(1). Persistent dimers Xe(2) are found to be responsible for the CSA relaxation mechanism in the low-density limit of the gas, completely in line with the earlier experimental findings.

The effect of structural changes during sintering on the electric and magnetic traits of the Ni96.7Mo3.3 alloy nanostructured powder

Directory of Open Access Journals (Sweden)

Ribić-Zelenović L.

2009-01-01

Full Text Available Ni96.7Mo3.3 powder was electrochemically obtained. An X-ray diffraction analysis determined that the powder consisted of a 20% amorphous and 80% crystalline phase. The crystalline phase consisted of a nanocrystalline solid nickel and molybdenum solution with a face-centred cubic (FCC lattice with a high density of chaotically distributed dislocations and high microstrain value. The scanning electronic microscopy (SEM showed that two particle structures were formed: larger cauliflower-like particles and smaller dendriteshaped ones. The thermal stability of the alloy was examined by differential scanning calorimetry (DSC and by measuring the temperature dependence of the electrical resistivity and magnetic permeability. Structural powder relaxation was carried out in the temperature range of 450 K to 560 K causing considerable changes in the electrical resistivity and magnetic permeability. Upon structural relaxation, the magnetic permeability of the cooled alloy was about 80% higher than the magnetic permeability of the fresh powder. The crystallisation of the amorphous portion of the powder and crystalline grain increase occurred in the 630 K to 900 K temperature interval. Upon crystallisation of the amorphous phase and crystalline grain increase, the powder had about 50% lower magnetic permeability than the fresh powder and 3.6 times lower permeability than the powder where only structural relaxation took place.

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.

High-resolution transmission electron microscopy of grain-refining particles in amorphous aluminum alloys

International Nuclear Information System (INIS)

Schumacher, P.; Greer, A.L.

1996-01-01

The nucleation mechanism of Al-Ti-B grain refiners is studied in an Al-based amorphous alloy. The ability to limit growth of α-Al in the amorphous alloy permits the microscopical observation of nucleation events on boride particles. Earlier studies of this kind are extended by using high-resolution electron microscopy. This shows that the efficient nucleation α-Al depends on the TiB 2 particles being coated with a thin layer of Al 3 Ti, which can form only when there is some excess titanium in the melt. The aluminide layer, stabilized by adsorption effects, can be as little as a few monolayers thick, and is coherent with the boride. The nature of this layer, and its importance for the nucleation mechanism are discussed. The fading of the grain refinement action is also considered

Mechanisms of relaxation and spin decoherence in nanomagnets

Science.gov (United States)

van Tol, Johan

Relaxation in spin systems is of great interest with respect to various possible applications like quantum information processing and storage, spintronics, and dynamic nuclear polarization (DNP). The implementation of high frequencies and fields is crucial in the study of systems with large zero-field splitting or large interactions, as for example molecular magnets and low dimensional magnetic materials. Here we will focus on the implementation of pulsed Electron Paramagnetic Resonance (ERP) at multiple frequencies of 10, 95, 120, 240, and 336 GHz, and the relaxation and decoherence processes as a function of magnetic field and temperature. Firstly, at higher frequencies the direct single-phonon spin-lattice relaxation (SLR) is considerably enhanced, and will more often than not be the dominant relaxation mechanism at low temperatures, and can be much faster than at lower fields and frequencies. In principle the measurement of the SLR rates as a function of the frequency provides a means to map the phonon density of states. Secondly, the high electron spin polarization at high fields has a strong influence on the spin fluctuations in relatively concentrated spin systems, and the contribution of the electron-electron dipolar interactions to the coherence rate can be partially quenched at low temperatures. This not only allows the study of relatively concentrated spin systems by pulsed EPR (as for example magnetic nanoparticles and molecular magnets), it enables the separation of the contribution of the fluctuations of the electron spin system from other decoherence mechanisms. Besides choice of temperature and field, several strategies in sample design, pulse sequences, or clock transitions can be employed to extend the coherence time in nanomagnets. A review will be given of the decoherence mechanisms with an attempt at a quantitative comparison of experimental rates with theory.

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.

Influence of E-beam irradiation on dielectric relaxation of recycled polypropylene

International Nuclear Information System (INIS)

Fazilova, Z.; Gafurov, U.; Tolstov, A.

2004-01-01

Full text: The dielectric relaxation connected with molecular groups and polymer chain mobility for un-irradiated and e-beam irradiated recycled polypropylene was investigated. It was studied films of samples produced from virgin (initial) and e- beam irradiated of the polymer granules (E-beam source with 5 MeV energy). The dielectric losses were measured with temperature increasing and decreasing regime. The losses were measured with E8-4 bridge help (the frequency is 1kH). Heating velocity was 2 grad/min. The dielectric losses did not appeared in minus temperature region for the initial polypropylene samples. The measurement in temperature increasing and decreasing shows that the relaxation peak at ∼ 35 o C for un-irradiated and ∼70 o C for irradiated polymer samples connected with macromolecular segments mobility with water molecular groups participation. The main relaxation peak (higher 100 o C) shifts after e-beam irradiation is result of the cross-links formation. ) The peak connected with macromolecular segments mobility in polymer amorphous regions (β-relaxation process). In irradiated polypropylene on IR spectroscopy data oxygen molecular groups is increased. The molecular groupings form inter-molecular hydrogen bonds. The intermolecular bonds also hindered molecular groups and macromolecular mobility. The e-beam stimulated cross-links formation was confirmed by method of sol-gel analyses. The work was supported by STCU Fund (Project No 3009)

A comparative study on thermal, mechanical and dielectric characteristics of low density polyethylene crosslinked by radiation and chemical methods

International Nuclear Information System (INIS)

Kim, B.H.; Ling, D.Y.; Kim, J.S.

1976-01-01

A comparative study on thermal, static mechanical and dielectric characteristics were made over a temperature range of ca. 20 0 C to 320 0 C and a frequency range of KHZ band on low density polyethylene specimens crosslinked, respectively, by radiation and chemical method. The thermal property of both specimens shows that softening point appears to unchange by crosslinking however, melting and liquidizing temperatures attain rapid increase at the imitation of crosslinking. Mechanical properties show little difference to both specimens crosslinked by different method, further the behaviors were discussed in connection with the relaxation of molecular segments in amorphous phase. Dose dependent dielectric characteristics observed at ambient temperature under several fixed frequencies exhibit extremities at ca. 20 Mrad and the behaviors also were interpreted qualitatively by taking into consideration of dipole concentration change in amorphous phase together with the role of specimen geometry to the depth of oxidative layer. Observing frequency dependent dielectric characteristics, it was also proved that ionic conduction loss is appreciably greater in the specimen prepared by chemical method than that by radiation. (author)

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.