Simulation Study of Helium Effect on the Microstructure of Nanocrystalline Body-Centered Cubic Iron

Helium (He) effect on the microstructure of nanocrystalline body-centered cubic iron (BCC-Fe) was studied through Molecular Dynamics (MD) simulation and simulated X-ray Diffraction (XRD). The crack generation and the change of lattice constant were investigated under a uniaxial tensile strain at room temperature to explore the roles of He concentration and distribution played in the degradation of mechanical properties. The simulation results show that the expansion of the lattice constant decreases and the swelling rate increases while the He in the BCC region diffuses into the grain boundary (GB) region. The mechanical property of nanocrystalline BCC-Fe shows He concentration and distribution dependence, and the existence of He in GB is found to benefit the generation and growth of cracks and to affect the strength of GB during loading. It is observed that the reduction of tensile stress contributed by GB He is more obvious than that contributed by grain interior He.

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Nanoindentation and Adhesion Properties of Ta Thin Films

Journal of Nanomaterials ◽

10.1155/2013/154179 ◽

2013 ◽

Vol 2013 ◽

pp. 1-7 ◽

Cited By ~ 3

Author(s):

Yuan-Tsung Chen

Keyword(s):

Thin Films ◽

Room Temperature ◽

Protective Layer ◽

Body Centered Cubic ◽

X Ray Diffraction ◽

Adhesion Properties ◽

X Ray ◽

Mean Grain Size ◽

Bcc Structure ◽

Deposited Films

Ta films were sputtered onto a glass substrate with thicknesses from 500 Å to 1500 Å under the following conditions: (a) as-deposited films were maintained at room temperature (RT), (b) films were postannealed atTA=150°C for 1 h, and (c) films were postannealed atTA=250°C for 1 h. X-ray diffraction (XRD) results revealed that the Ta films had a body-centered cubic (BCC) structure. Postannealing conditions and thicker Ta films exhibited a stronger Ta (110) crystallization than as-deposited and thinner films. The nanoindention results revealed that Ta thin films are sensitive to mean grain size, including a valuable hardness (H) and Young’s modulus (E). High nanomechanical properties of as-deposited and thinner films can be investigated by grain refinement, which is consistent with the Hall-Petch effect. The surface energy of as-deposited Ta films was higher than that in postannealing treatments. The adhesion of as-deposited Ta films was stronger than postannealing treatments because of crystalline degree effect. The maximalHandEand the optimal adhesion of an as-deposited 500-Å-thick Ta film were 15.6 GPa, 180 GPa, and 51.56 mJ/mm2, respectively, suggesting that a 500-Å-thick Ta thin film can be used in seed and protective layer applications.

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Effect of Annealing on the Structural, Magnetic and Surface Energy of CoFeBY Films on Si (100) Substrate

Materials ◽

10.3390/ma14040987 ◽

2021 ◽

Vol 14 (4) ◽

pp. 987

Author(s):

Wen-Jen Liu ◽

Yung-Huang Chang ◽

Yuan-Tsung Chen ◽

Yi-Chen Chiang ◽

Yu-Chi Liu ◽

...

Keyword(s):

Thin Film ◽

Surface Energy ◽

Room Temperature ◽

Low Frequency ◽

Body Centered Cubic ◽

X Ray Diffraction ◽

Characteristic Peak ◽

X Ray ◽

Adhesion Efficiency ◽

Alternative Current

The structure, magnetic properties, optical properties and adhesion efficiency of CoFeBY films were studied. Co40Fe40B10Y10 alloy was sputtered onto Si (100) with a thickness of 10–50 nm, and then annealed at room temperature, 100 °C, 200 °C and 300 °C for 1 h. X-ray diffraction (XRD) showed that the CoFeBY films deposited at room temperature are amorphous. Annealing at 100 °C gave the films enough thermal energy to change the structure from amorphous to crystalline. After annealing, the CoFeBY thin film showed a body-centered cubic (BCC) CoFeB (110) characteristic peak at 44°. However, the low-frequency alternative-current magnetic susceptibility (χac) and saturation magnetization (MS) increased with the increase of thickness. CoFeBY thin films had the highest χac and MS after annealing at 300 °C compared to that at other temperatures. After annealing at 300 °C, the surface energy of CoFeBY film is the maximum at 50 nm. Higher surface energy indicated stronger adhesion.

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Lattice strain during compressive loading of AlCrFeNiTi multi-principal element alloys

Continuum Mechanics and Thermodynamics ◽

10.1007/s00161-021-00990-9 ◽

2021 ◽

Author(s):

M. Reiberg ◽

X. Li ◽

E. Maawad ◽

E. Werner

Keyword(s):

Room Temperature ◽

Elastic Moduli ◽

Electron Backscatter Diffraction ◽

Elastic Behavior ◽

Body Centered Cubic ◽

Compression Tests ◽

X Ray Diffraction ◽

Principal Element ◽

X Ray ◽

Full Heusler

AbstractIn this work, multi-principal element alloys (MPEAs) with the five base elements Al, Cr, Fe, Ni and Ti plus elements in minor amounts were produced by powder metallurgy and their microstructure and elastic behavior were analyzed via light and scanning electron microscopy, electron backscatter diffraction (EBSD) and synchrotron X-ray diffraction. The two studied compositions are an MPEA with Al, Cr, Fe, Ni and Ti in equimolar ratio as well as a similar composition with a concentration of Ti reduced to 10 mol%. The goal is to analyze the microstructural behavior of these compositions during macroscopic loading in dependence of chemical composition and phases present. Analysis via synchrotron X-ray diffraction predicts the presence of body-centered cubic phases, Full Heusler-phases and C14_Laves-phases in both compositions, MPEA5 and MPEA_Ti10. Synchrotron X-ray diffraction offers the possibility to monitor the deformation of these phases during macroscopic loading of specimens. Thermodynamic calculations of stable phases predicted a microstructure of MPEA5 consisting of body-centered cubic and Full Heusler-phases at room temperature. Further calculation and X-ray diffraction experiments showed the stabilization of minor amounts of C14_Laves-phase ($$\hbox {Fe}_2\hbox {Ti}$$ Fe 2 Ti ) at room temperature with a decreasing amount of Ti. MPEA5 showed the development of long and un-branched cracks during compressive testing, which resulted in a remarkable decrease in lattice-dependent elastic moduli. MPEA_Ti10 exhibited branched cracks during compression tests. Also, the lattice-dependent elastic moduli of MPEA_Ti10 did not change notably during the compression tests. In both compositions, the Full Heusler-phase showed the lowest lattice-dependent elastic moduli, hence taking the largest share of the overall deformation among all phases present in the materials under macroscopic loading.

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X Ray Topography Study of Deformed Crystal-Quasicrystal Composites of Al Cu Fe Alloy

Solid State Phenomena ◽

10.4028/www.scientific.net/ssp.163.278 ◽

2010 ◽

Vol 163 ◽

pp. 278-281 ◽

Cited By ~ 2

Author(s):

Włodzimierz Bogdanowicz ◽

Jacek Krawczyk

Keyword(s):

Optical Microscopy ◽

Phase Analysis ◽

Misorientation Angle ◽

Tensile Strain ◽

Room Temperature ◽

X Ray Diffraction ◽

X Ray ◽

Β Phase ◽

The Matrix ◽

Powder Phase

Crystal-quasicrystal columnar composites (CQ composites) of Al Cu Fe alloy subject to tensile strain at room temperature were studied by the reflective X ray topography. In those composites singlecrystalline β phase occurred as the matrix and rods consisting of quasicrystalline ψ phase and crystalline λ phase as the reinforcement. X-ray topograms of plate like composite specimens were obtained using reflexes of singlecrystalline matrix. It has been found that at strains ε up to 0.33% in a linear range of stress strain σ(ε) relationship the topograms remain unchanged. Instead, at ε higher than 0.33% significant contract changes have been observed in some areas of topograms. It has been determined that at ε higher than 0.33% the components of misorientation angle of those areas increase with increasing strain. Methods of powder phase analysis, metallographic examinations by means of optical microscopy methods and X-ray diffraction topography methods were used.

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Electron Microscopy of Human Gallstones

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100065523 ◽

1971 ◽

Vol 29 ◽

pp. 296-297

Author(s):

C. Wolpers ◽

R. Blaschke

Keyword(s):

Electron Microscopy ◽

Room Temperature ◽

Bile Pigment ◽

X Ray Diffraction ◽

Triclinic Crystal System ◽

X Ray ◽

Follow Up Study ◽

Infra Red ◽

Main Components

Scanning microscopy was used to study the surface of human gallstones and the surface of fractures. The specimens were obtained by operation, washed with water, dried at room temperature and shadowcasted with carbon and aluminum. Most of the specimens belong to patients from a series of X-ray follow-up study, examined during the last twenty years. So it was possible to evaluate approximately the age of these gallstones and to get information on the intensity of growing and solving.Cholesterol, a group of bile pigment substances and different salts of calcium, are the main components of human gallstones. By X-ray diffraction technique, infra-red spectroscopy and by chemical analysis it was demonstrated that all three components can be found in any gallstone. In the presence of water cholesterol crystallizes in pane-like plates of the triclinic crystal system.

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Electron Microscope study of commensurate-incommensurate phase transition in BaZnGeO4

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100173996 ◽

1990 ◽

Vol 48 (4) ◽

pp. 172-173

Author(s):

Naoki Yamamoto ◽

Makoto Kikuchi ◽

Tooru Atake ◽

Akihiro Hamano ◽

Yasutoshi Saito

Keyword(s):

Phase Transition ◽

Electron Microscope Study ◽

Room Temperature ◽

Hexagonal Lattice ◽

Ferroelectric Materials ◽

Temperature Phase ◽

X Ray Diffraction ◽

X Ray ◽

Periodic Arrays ◽

Modulation Wave Vector

BaZnGeO4 undergoes many phase transitions from I to V phase. The highest temperature phase I has a BaAl2O4 type structure with a hexagonal lattice. Recent X-ray diffraction study showed that the incommensurate (IC) lattice modulation appears along the c axis in the III and IV phases with a period of about 4c, and a commensurate (C) phase with a modulated period of 4c exists between the III and IV phases in the narrow temperature region (—58°C to —47°C on cooling), called the III' phase. The modulations in the IC phases are considered displacive type, but the detailed structures have not been studied. It is also not clear whether the modulation changes into periodic arrays of discommensurations (DC’s) near the III-III' and IV-V phase transition temperature as found in the ferroelectric materials such as Rb2ZnCl4.At room temperature (III phase) satellite reflections were seen around the fundamental reflections in a diffraction pattern (Fig.1) and they aligned along a certain direction deviated from the c* direction, which indicates that the modulation wave vector q tilts from the c* axis. The tilt angle is about 2 degree at room temperature and depends on temperature.

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Xenon Trioxide Adducts of O-Donor Ligands; [(CH3)2CO]3XeO3, [(CH3)2SO]3(XeO3)2, (C5H5NO)3(XeO3)2, and [(C6H5)3PO]2XeO3

10.26434/chemrxiv.7092263.v1 ◽

2018 ◽

Author(s):

Katherine Marczenko ◽

James Goettel ◽

Gary Schrobilgen

Keyword(s):

Room Temperature ◽

Triphenylphosphine Oxide ◽

Donor Ligands ◽

Mechanical Shock ◽

X Ray Diffraction ◽

X Ray ◽

Oxygen Coordination ◽

Xenon Trioxide ◽

Distorted Octahedra ◽

Coordination Spheres

Oxygen coordination to the Xe(VI) atom of XeO3 was observed in its adducts with triphenylphosphine oxide, dimethylsulfoxide, pyridine-N-oxide, and acetone. The crystalline adducts were characterized by low-temperature, single-crystal X-ray diffraction and Raman spectroscopy. Unlike solid XeO3, which detonates when mechanically or thermally shocked, the solid [(C6H5)3PO]2XeO3, [(CH3)2SO]3(XeO3)2, and (C5H5NO)3(XeO3)2 adducts are insensitive to mechanical shock, but undergo rapid deflagration when ignited by a flame. Both [(C6H5)3PO]2XeO3 and (C5H5NO)3(XeO3)2 are air-stable whereas [(CH3)2SO]3(XeO3)2 slowly decomposes over several days and [(CH3)2CO]3XeO3 undergoes adduct dissociation at room temperature. The xenon coordination sphere of [(C6H5)3PO]2XeO3 is a distorted square pyramid which provides the first example of a five-coordinate XeO3 adduct. The xenon coordination spheres of the remaining adducts are distorted octahedra comprised of three Xe---O secondary contacts that are approximately trans to the primary Xe–O bonds of XeO3. Quantum-chemical calculations were used to assess the Xe---O adduct bonds, which are predominantly electrostatic σ-hole bonds between the nucleophilic oxygen atoms of the bases and the σ-holes of the xenon atoms.

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Effect of trytophan as dopant on potassium acid phthalate single crystals

10.31221/osf.io/cn28k ◽

2019 ◽

Author(s):

Chem Int

Keyword(s):

Single Crystals ◽

Room Temperature ◽

Visible Region ◽

X Ray Diffraction ◽

X Ray ◽

Slow Evaporation Technique ◽

Absorption Studies ◽

Evaporation Technique ◽

Potassium Acid Phthalate ◽

Acid Phthalate

Optically transparent single crystals of potassium acid phthalate (KAP, 0.5 g) 0.05 g and 0.1 g (1 and 2 mol %) trytophan were grown in aqueous solution by slow evaporation technique at room temperature. Single crystal X- ray diffraction analysis confirmed the changes in the lattice parameters of the doped crystals. The presence of functional groups in the crystal lattice has been determined qualitatively by FTIR analysis. Optical absorption studies revealed that the doped crystals possess very low absorption in the entire visible region. The dielectric constant has been studied as a function of frequency for the doped crystals. The thermal stability was evaluated by TG-DSC analysis.

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Structural and Enhanced Optical Properties of Stabilized γ‒Bi2O3 Nanoparticles: Effect of Oxygen Ion Vacancies

Nanomaterials ◽

10.3390/nano10061023 ◽

2020 ◽

Vol 10 (6) ◽

pp. 1023 ◽

Cited By ~ 2

Author(s):

Ashish Chhaganlal Gandhi ◽

Chia-Liang Cheng ◽

Sheng Yun Wu

Keyword(s):

Room Temperature ◽

Excess Oxygen ◽

Ambient Atmosphere ◽

Photoluminescence Spectra ◽

X Ray Diffraction ◽

X Ray ◽

Band Emission ◽

Oxygen Ion ◽

Integrated Intensity ◽

Effect Of Oxygen

We report the synthesis of room temperature (RT) stabilized γ–Bi2O3 nanoparticles (NPs) at the expense of metallic Bi NPs through annealing in an ambient atmosphere. RT stability of the metastable γ–Bi2O3 NPs is confirmed using synchrotron radiation powder X-ray diffraction and Raman spectroscopy. γ–Bi2O3 NPs exhibited a strong red-band emission peaking at ~701 nm, covering 81% integrated intensity of photoluminescence spectra. Our findings suggest that the RT stabilization and enhanced red-band emission of γ‒Bi2O3 is mediated by excess oxygen ion vacancies generated at the octahedral O(2) sites during the annealing process.

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Mechanical Alloying Behavior in the Nb-Si, Ta-Si, and Nb-Ta-Si Systems

MRS Proceedings ◽

10.1557/proc-133-415 ◽

1988 ◽

Vol 133 ◽

Cited By ~ 3

Author(s):

K. S. Kumar ◽

S. K. Mannan

Keyword(s):

High Temperature ◽

Mechanical Alloying ◽

Mechanical Milling ◽

Room Temperature ◽

Crystalline Compound ◽

X Ray Diffraction ◽

X Ray ◽

Β Phase ◽

Α Phase

ABSTRACTThe mechanical alloying behavior of elemental powders in the Nb-Si, Ta-Si, and Nb-Ta-Si systems was examined via X-ray diffraction. The line compounds NbSi2 and TaSi2 form as crystalline compounds rather than amorphous products, but Nb5Si3 and Ta5Si3, although chemically analogous, respond very differently to mechanical milling. The Ta5Si3 composition goes directly from elemental powders to an amorphous product, whereas Nb5Si3 forms as a crystalline compound. The Nb5Si3 compound consists of both the tetragonal room-temperature α phase (c/a = 1.8) and the tetragonal high-temperature β phase (c/a = 0.5). Substituting increasing amounts of Ta for Nb in Nb5Si3 initially stabilizes the α-Nb5Si3 structure preferentially, and subsequently inhibits the formation of a crystalline compound.

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