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Showing 1 to 20 of 39 for “"short range order"”.
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Spin cluster expansion approach to the interplay between short-range order and interstitial atoms in austenitic stainless steels
… remains unclear. Recent studies have highlighted short-range order (SRO) as a key microstructural feature that significantly influences alloy properties. In particular, SRO is found to promote slip planarity, a deformation mode frequently associated with HE. Furthermore, interstitial solutes can …
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Atomic short-range order determination in gold-25 atomic percent iron and nickel-12.5 atomic percent silicon: A synchrotron x-ray diffuse scattering study
The short-range order (SRO) structure of a Gold-25 atomic percent Iron single crystal was studied using wide-angle diffuse synchrotron x-radiation scattering at room temperature. Two heat-treatments were investigated; a 400$\sp\circ$C aging treatment for two days and a second at 440$\sp\circ$C for …
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Molecular dynamics simulation : an investigation into the short range structure of metaphosphate glasses
… molecular dynamics simulations is presented. The short rage structure of the phosphate and metal networks were determined from pair, cumulative and bond angle distribution functions as well as identifying the types of oxygen ions found within the networks. The short range structure was validated …
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The influence of microstructure on electrical resistivity in palladium alloys
… The effect of dislocations and structural order on resistivity has been investigated in order to determine the mechanisms whereby changes in resistivity occur in these alloys. The electrical resistivity of palladium-tungsten and palladium-molybdenum alloys has been determined as a function …
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Atomistic modeling of mixed ion/electron conductors exhibiting configurational disorder: Application to iron-substituted strontium titanate
… instances where materials exhibit substantial disorder, obtaining accurate, quantitative descriptions of functional properties from modeling and simulation remains a longstanding challenge. While computational methods are more well-established for ordered, crystalline materials, it is not …
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Templated self-assembly of nanoporous alumina : pore formation and ordering mechanisms, methodologies, and applications
… (AAO), also known as porous alumina, is a self-ordered nanostructured material well-suited for use in electronic, magnetic, optical and biological applications due to its small pore size (4-200nm) and spacing (10-500nm). Under slightly acidic conditions, both oxidation and dissolution of …
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An Irreversible Thermodynamic Formalism of the Electronic Contribution to the Entropy in Metals
… entropy of phase transitions in metal-insulator, order-disorder, and allotropic transitions with current models of the vibrational and configurational entropy. Measurements of the electronic transport properties in Cu-Ni, Fe-Ni, and Fe-Cr alloys reveal the importance of considering multicarrier …
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Investigation of defect formation and control in poly-crystalline anatase titanium dioxide
… of lowering carrier concentration by about ½ an order of magnitude. Short range order in the form of subcritical nuclei was suggested as an explanation. The presence of such order had already been observed during surface diffusion experiments on amorphous titanium dioxide. Subcritical nuclei …
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The analysis of local structural effects in alloys using total scattering and reverse Monte Carlo techniques
Over the years `short-range order' (SRO), whereby the local atomic arrangement differs from that of a random distribution, has been used to explain physical phenomena such as thermodynamic discontinuities, increased strength, anomalous electrical resistivity and magnetic variations in a host of …
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Surface ordering of MBE grown 001 gallium(05) aluminum(05) arsenic: A theoretical study
… adsorption and surface migration. The surface ordering kinetics is studied as function of fluxes, flux ratio and substrate temperature. The growth parameters employed for the monatomic spices As are: fluxes 2{dollar}\sp\circ{dollar} A/sec, for cations with the cation to anion flux ratios 1: 10, …
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Crystal Growth, Atomic Ordering, Phase Transitions in Pseudobinary Constituents of the Metastable Quaternary (gallium-Antimony)(1-X)(germanium(2)(1-Y)tin(2y))(x) (Semiconductor, Sputtering, Ion Bombardment, X-Ray Diffraction, Electron Microscopy)
… fine-structure analyses are used to show that an order-disorder structural transition from zincblende to diamond occurs in metastable (GaSb)(,1-x)(Ge(,2))(,x) and (GaSb)(,(1-x))(Ge(,2(1-y))Sn(,2y))(,x) alloys at a critical composition x(,c) even though the short-range order remains perfect …
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Towards Colloidal Self-Assembly for Functional Materials
… to form macroscopic functional materials with short-range order for electronic, photonic and electrochemical applications at scale. DNA-functionalized nanoparticles are versatile models for exploring colloidal self-assembly due to the highly specific, tunable and thermally reversible binding …
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Quantitatively connecting the thermodynamic and electronic properties of molten systems
… systems. The connection of electronic entropy to short-range order allows the detection and prediction of solid-phase compounds through the collection of electronic property data in the molten phase and the prediction of thermodynamic quantities of fusion. An absolute reference for entropy at …
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Atomistic computer simulation analysis of nanocrystalline nickel-tungsten alloys
… minimization to investigate the segregation and ordering behavior of W atoms. Short-range order is also tracked with the Warren-Cowley parameter, and energetic results are explored as well. It was found that the Ni-W system has a very strong tendency toward SRO. The 10nm models exhibited more …
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Nanoscale solidification of metals by atomistic simulations: From nucleation to nanostructural evolution
… originates from the twins, grain boundaries and short range order in the liquid during the initial stages of solidification.</p> <p>To study the solid-liquid coexistence in binary Al alloys, interatomic potentials for binary Al-Cu, Al-Fe, Al-Ni, Al-Mg, Al-Si and Al-Ge alloys were developed based …
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Fourier-Transform Infrared Studies of Polypropylene During Mechanical and Thermal Deformations
Infrared spectroscopy, which looks at short range order, provides information on the strength of molecular vibrational frequencies and intensities. The measurement of changes in vibrational frequency, (nu), and in the vibrational intensity, which are related to variations in the intramolecular and …
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The ground state of the spin-1/2 kagomé lattice antiferromagnet : neutron scattering studies of the zinc-paratacamite mineral family
… evidence of a static local moment in the disordered phase below 18 K. Our experiments suggest two-dimensional Ising fluctuations at the Néel transition. A proposed spin ordering model is developed that suggests an order structure below TN and two-dimensional short range order of the kagomé …
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Monte Carlo studies of the fcc Ising model
Submitted by Carolyn Mead (cmead2@illinois.edu) on 2011-06-07T16:15:31Z No. of bitstreams: 1 1984_polgreen.pdf: 1524951 bytes, checksum: a91ada7a8f9fc84215c998e89a3ce6a9 (MD5)
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DISORDERING IN PYROCHLORE PHASES FOR RADIONUCLIDES DISPOSAL: A MULTISCALE STRUCTURE STUDY
… structural distortions and control the degree of ordering of cations and anions in pyrochlore oxides, defining their response towards irradiation. To understand the origin of such distortions, an in-depth study of the structure at both the average and local scales is required. In the present …
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High-pressure and high-temperature structural and electronic properties of (Mg,Fe)O and FeO
… and theoretical study was carried out in order to determine structural and electronic properties of ferropericlase over a broad pressure and temperature range. The phase diagram of FeO (wüstite), the end member of the (Mg,Fe)O solid solution, was found to be more complex than previously …
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