Characterization of metastable crystal structure for Co-Pt alloy thin film by x-ray diffraction

2014 ◽  
Vol 115 (17) ◽  
pp. 17C116 ◽  
Keyword(s):  
Thin Film ◽  
Crystal Structure ◽  
Alloy Thin Film ◽  
X Ray Diffraction ◽  
X Ray ◽  
Pt Alloy

scholarly journals Deep learning for visualization and novelty detection in large X-ray diffraction datasets

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Lars Banko ◽  
Phillip M. Maffettone ◽  
Dennis Naujoks ◽  
Daniel Olds ◽  
Alfred Ludwig
Keyword(s):  
Thin Film ◽  
Crystal Structure ◽  
Artificial Intelligence ◽  
Deep Learning ◽  
Novelty Detection ◽  
Structural Similarity ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffraction Patterns ◽  
Post Hoc

AbstractWe apply variational autoencoders (VAE) to X-ray diffraction (XRD) data analysis on both simulated and experimental thin-film data. We show that crystal structure representations learned by a VAE reveal latent information, such as the structural similarity of textured diffraction patterns. While other artificial intelligence (AI) agents are effective at classifying XRD data into known phases, a similarly conditioned VAE is uniquely effective at knowing what it doesn’t know: it can rapidly identify data outside the distribution it was trained on, such as novel phases and mixtures. These capabilities demonstrate that a VAE is a valuable AI agent for aiding materials discovery and understanding XRD measurements both ‘on-the-fly’ and during post hoc analysis.

scholarly journals Serendipitous formation and characterization of K2[Pd(NO3)4]·2HNO3

2019 ◽  
Vol 74 (4) ◽  
pp. 381-387
Author(s):  
Michael Zoller ◽  
Jörn Bruns ◽  
Gunter Heymann ◽  
Klaus Wurst ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Monoclinic Space Group ◽  
Solvothermal Process ◽  
X Ray Diffraction ◽  
Glass Ampoule ◽  
Space Group ◽  
X Ray ◽  
Complex Anions

AbstractA potassium tetranitratopalladate(II) with the composition K2[Pd(NO3)4] · 2HNO3 was synthesized by a simple solvothermal process in a glass ampoule. The new compound crystallizes in the monoclinic space group P21/c (no. 14) with the lattice parameters a = 1017.15(4), b = 892.94(3), c = 880.55(3) Å, and β = 98.13(1)° (Z = 2). The crystal structure of K2[Pd(NO3)4] · 2HNO3 reveals isolated complex [Pd(NO3)4]2− anions, which are surrounded by eight potassium cations and four HNO3 molecules. The complex anions and the cations are associated in layers which are separated by HNO3 molecules. K2[Pd(NO3)4] · 2HNO3 can thus be regarded as a HNO3 intercalation variant of β-K2[Pd(NO3)4]. The characterization is based on single-crystal X-ray and powder X-ray diffraction.

Crystal structure, thermodynamic properties and detonation characterization of bis(5-amino-1,2,4-triazol-3-yl)methane

2020 ◽  
Vol 76 (1) ◽  
pp. 64-68 ◽  
Author(s):  
Hongya Li ◽  
Biao Yan ◽  
Haixia Ma ◽  
Zhiyong Sun ◽  
Yajun Ma ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Detonation Velocity ◽  
Theoretical Calculations ◽  
Detonation Pressure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Equivalent Equation ◽  
Experimental Values ◽  
Experimental Density

Bis(5-amino-1,2,4-triazol-3-yl)methane (BATZM, C5H8N8) was synthesized and its crystal structure characterized by single-crystal X-ray diffraction; it belongs to the space group Fdd2 (orthorhombic) with Z = 8. The structure of BATZM can be described as a V-shaped molecule with reasonable chemical geometry and no disorder. The specific molar heat capacity (Cp,m ) of BATZM was determined using the continuous Cp mode of a microcalorimeter and theoretical calculations, and the Cp,m value is 211.19 J K−1 mol−1 at 298.15 K. The relative deviations between the theoretical and experimental values of Cp,m , HT – H 298.15K and ST – S 298.15K of BATZM are almost equivalent at each temperature. The detonation velocity (D) and detonation pressure (P) of BATZM were estimated using the nitrogen equivalent equation according to the experimental density; BATZM has a higher detonation velocity (7954.87 ± 3.29 m s−1) and detonation pressure (25.72 ± 0.03 GPa) than TNT.

Structural and magnetic characterization of Ho3SbO7 and Dy3SbO7

2001 ◽  
Vol 79 (11-12) ◽  
pp. 1415-1419 ◽  
Author(s):  
T Fennell ◽  
S T Bramwell ◽  
M A Green
Keyword(s):  
Crystal Structure ◽  
Experimental Investigation ◽  
Rare Earth Ions ◽  
X Ray Diffraction ◽  
Magnetic Characterization ◽  
X Ray ◽  
Structural And Magnetic Properties ◽  
Ice Model ◽  
Magnetic Rare Earth

We present an experimental investigation of the structural and magnetic properties of Ho3SbO7 and Dy3SbO7. These compounds adopt the Y3TaO7 structure, space group C2221. The magnetic rare-earth ions occupy an intricate lattice related to the pyrochlore lattice that occurs in Ho2Ti2O7 and Dy2Ti2O7. The crystal structure of Ho3SbO7 is determined by Rietveld refinement of the powder X-ray diffraction pattern at ambient temperature, and that of the Dy analogue is inferred to be similar. Magnetic susceptibility measurements show that Ho3SbO7 and Dy3SbO7 have negative Curie–Weiss temperatures: –8.4 K (Ho) and –9.2 K (Dy). Magnetic transitions have been detected at 2.0 K (Ho) and 3.0 K (Dy). We discuss the results in terms of the ``dipolar spin ice model'' that has been used to describe Ho2Ti2O7 and Dy2Ti2O7. PACS Nos.: 75.25+z, 75.50Ee, 61.10Nz

Electrical Properties of Multilayer Synthesized CuInSi Thin Film

2011 ◽  
Vol 383-390 ◽  
pp. 822-825
Author(s):  
Ping Luan ◽  
Jian Sheng Xie ◽  
Jin Hua Li
Keyword(s):  
Thin Film ◽  
Crystal Structure ◽  
Thin Films ◽  
Electrical Properties ◽  
Annealing Temperature ◽  
Time Effect ◽  
X Ray Diffraction ◽  
Testing Instrument ◽  
X Ray ◽  
Conductivity Type

Using magnetron sputtering technology, the CuInSi thin films were prepared by multilayer synthesized method. The structure of CuInSi films were detected by X-ray diffraction(XRD), the main crystal phase peak is at 2θ=42.458°; The resistivity of films were measured by SDY-4 four-probe meter; The conductive type of the films were tested by DLY-2 conductivity type testing instrument. The results show that the annealing temperature and time effect on the crystal resistivity and crystal structure greatly.

Structural and IR-spectroscopic characterization of magnesium acesulfamate

2016 ◽  
Vol 71 (1) ◽  
pp. 51-55 ◽  
Author(s):  
Oscar E. Piro ◽  
Gustavo A. Echeverría ◽  
Beatriz S. Parajón-Costa ◽  
Enrique J. Baran
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Elemental Analysis ◽  
Spectroscopic Characterization ◽  
Magnesium Carbonate ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Ir Spectroscopic

AbstractMagnesium acesulfamate, Mg(C4H4NO4S)2·6H2O, was prepared by the reaction of acesulfamic acid and magnesium carbonate in aqueous solution, and characterized by elemental analysis. Its crystal structure was determined by single crystal X-ray diffraction methods. The substance crystallizes in the triclinic space group P1̅ with one molecule per unit cell. The FTIR spectrum of the compound was also recorded and is briefly discussed. Some comparisons with other simple acesulfamate and saccharinate salts are also made.

Synthesis and Characterization of a New Copper(II) Complex with Nadolol, an Aminoalcoholic Beta-blocker. Crystal Structure of Na[Cu(nadololate)(CO3)] · H2O

2008 ◽  
Vol 63 (5) ◽  
pp. 543-547 ◽  
Author(s):  
Inés Viera ◽  
Laura Domínguez ◽  
Javier Ellena ◽  
María H. Torre
Keyword(s):  
Crystal Structure ◽  
Vibrational Spectroscopy ◽  
Copper Complex ◽  
Beta Blocker ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
Spectroscopy Analysis ◽  
X Ray

This work reports the synthesis and characterization of a new copper complex with nadolol, a betablocker aminoalcohol. The stoichiometry found was Na[Cu(nadololate)(CO3)] · H2O. Electronic and vibrational spectroscopy analysis was performed, and the crystal structure of Na[Cu(nadololate)-(CO3)] · H2O was determined by X-ray diffraction.

Synthesis and Characterization of Co Nanoparticles by Solventless Thermal Decomposition

2007 ◽  
Vol 119 ◽  
pp. 71-74 ◽  
Author(s):  
Yan Li ◽  
Xiao Li Zhang ◽  
Young Hwan Kim ◽  
Young Soo Kang
Keyword(s):  
Crystal Structure ◽  
Thermal Decomposition ◽  
Synthesis And Characterization ◽  
Vibrating Sample Magnetometer ◽  
X Ray Diffraction ◽  
X Ray ◽  
Transmission Electron ◽  
Structure Of Nanoparticles ◽  
Co Nanoparticles

Co nanoparticles were synthesized via a solventless thermal decomposition of Co2+-oleate2. The crystalline structure is strongly affected by the thermal treatment of the Co nanoparticles. Further, the annealing also results in the decomposition of surfactant around Co particles. The size of nanoparticles was confirmed by transmission electron microscopy (TEM). The crystal structure of nanoparticles was characterized by X-ray diffraction pattern (XRD). The magnetic properties were characterized by vibrating sample magnetometer (VSM).

Synthesis and Characterization of ALaFeNi0.5W0.5O6 (A= Sr or Ca), a New Structure Distorted Double Perovskite

2013 ◽  
Vol 717 ◽  
pp. 133-138
Author(s):  
A. Awad Allah ◽  
M. Elhadi ◽  
O.A. Yassien
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Double Perovskite ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
Absorption Bands ◽  
X Ray ◽  
Perovskite Materials ◽  
Ftir Spectrometer

The crystal structure of both samples has been solved by powder X-ray diffraction, data in the tetragonal space group I4/m (a= b= 5.55182 Å, c =7.86955 A0) for SrLaFeNi0.5W0.5O6sample and (a=b= 5.49129Å, c= 7.82233Å) for CaLaFeNi0.5W0.5O6 sample, and shows an almost perfect ordering between Ni2+ and W5+ cations at the B-site of the perovskite structure. The FTIR spectrometer used of the powders showed that the spectra of both are very similar, showing two strong and well-defined absorption bands, typical of perovskite materials.

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