Article
Physics, Condensed Matter
Dirk Holland-Moritz, Fan Yang, Thomas C. Hansen, Florian Kargl
Summary: Neutron diffraction in conjunction with isotopic substitution on Ni-62(43) (63)Cu(57) indicates chemical short-range order in the stable liquid, shown by oscillations in the concentration-concentration structure factor S CC(q). This suggests a non-ideal solution behavior of Ni-Cu contradicting common belief, but supported by measurements of free enthalpy of mixing. The temperature dependence of S-CC at small momentum transfer provides evidence of critical compositional fluctuations in Ni43Cu57 melts.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2023)
Article
Chemistry, Physical
Stefan Michalik, Pal Jovari, Karel Saksl, Martin Durisin, Dusan Balga, Jacques Darpentigny, Michael Drakopoulos
Summary: Detailed information on the atomic arrangement of glassy Cu54Hf46, Cu61Hf39 and Cu69Hf31 alloys has been obtained through reverse Monte Carlo simulation using high-energy X-ray diffraction and neutron diffraction data. Cu-centered clusters exhibit stronger ordering compared to Hf-centered clusters, and Cu54Hf46 and Cu61Hf39 have better glass forming ability than Cu69Hf31.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Physics, Condensed Matter
Nathan Episcopo, Po-Hao Chang, Thomas W. Heitmann, Kinley Wangmo, James McKamey Guthrie, Magdalena Fitta, Ryan A. Klein, Narayan Poudel, Krzysztof Gofryk, Rajendra R. Zope, Craig M. Brown, Harikrishnan S. Nair
Summary: Na2Ni2TeO6 exhibits antiferromagnetic properties with a stable transition temperature even under high magnetic fields and external pressures. Deviations in Na content do not significantly affect the magnetic transition temperature. The compound consists of a long-range ordered magnetic phase of Ni2+ mixed with a short-range ordered phase, supported by specific heat data.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2021)
Article
Chemistry, Physical
E. Silberstein, G. Makov
Summary: The structure of liquid methanol has been investigated using experimental and computational methods. The quasi-crystalline model is applied to analyze the short-range order of methanol, and molecular dynamics simulations are used to obtain the radial distribution functions. The results suggest that methanol at different temperatures and pressures can have different structures, with open chains and cyclic tetramers being the dominant structures at certain conditions.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Materials Science, Multidisciplinary
Jianjun Tian, V. N. Ivanovski, M. Abeykoon, R. M. Martin, S. Baranets, C. Martin, Yu Liu, Qianheng Du, Aifeng Wang, Shuzhang Chen, Xiao Tong, Weifeng Zhang, S. Bobev, V Koteski, C. Petrovic
Summary: The study reveals that FeTe2 single crystal exhibits unique magnetic, thermal, and electrical properties, making it suitable for thermoelectric materials design, and it forms in a highly defective marcasite crystal structure.
Article
Nanoscience & Nanotechnology
D. Liu, Q. Wang, J. Wang, X. F. Chen, P. Jiang, F. P. Yuan, Z. Y. Cheng, E. Ma, X. L. Wu
Summary: This study investigates CSRO in high-entropy alloys, providing definitive proof through systematic electron microscopy experiments. The CSRO regions occupy 20% of the area fraction and have dimensions on a sub-nanometer scale. Spatial correlation analysis reveals a general tendency towards nearest-neighbor chemical ordering, with a preference for unlike species and an avoidance for like-species.
MATERIALS TODAY NANO
(2021)
Article
Chemistry, Physical
Celeste L. Melamed, Moira K. Miller, Jacob Cordell, Linda Pucurimay, Alyssa Livingood, Rekha R. Schnepf, Jie Pan, Karen N. Heinselman, Fernando D. Vila, Allison Mis, Dennis Nordlund, Ben Levy-Wendt, Stephan Lany, Eric S. Toberer, Steven T. Christensen, Adele C. Tamboli
Summary: This study demonstrates that short-range ordering can tune the optical absorption edge in the long-range disordered alloy system (ZnSnN2)1-x(ZnO)2x at x=0.25. Using combinatorial cosputtering, a set of thin-film samples spanning this alloy space is synthesized. X-ray diffraction confirms the synthesis of a mixed-anion and -cation alloy. X-ray absorption analysis and spectroscopic ellipsometry reveal that local ordering increases the absorption edge energy at constant composition. This work opens up possibilities for property tuning with short-range ordering in (ZnSnN2)1-x(ZnO)2x and similar materials.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Physical
Shang Liu, Alejandra Cuervo Covian, Xiaoxin Wang, Cory T. Cline, Austin Akey, Weiling Dong, Shui-Qing Yu, Jifeng Liu
Summary: This article introduces a new method based on physics-informed Poisson statistical analysis for 3D nanoscale mapping of short-range order (SRO) in GeSn using atom probe tomography (APT) and demonstrates its ability to map semi-quantitative strain. The method provides unique insights into the SRO behavior and can be extended to other alloy systems.
Article
Physics, Applied
Michael Xu, Shaolou Wei, C. Cem Tasan, James M. LeBeau
Summary: The presence of short-range chemical order in metals can significantly affect their mechanical behavior. However, determining the distribution of chemical order in complex alloy systems is challenging. In this study, we use aberration corrected scanning transmission electron microscopy (STEM) and spatial statistics methods to identify and quantify chemical order in the BCC-TiVNbHf(Al) system. Through null hypothesis tests, we differentiate the experimental data from random chemical distribution and find that the experimental results deviate significantly from both random solid solution and fully ordered structures. We also observe and quantify the enhancement of short-range order with the addition of Al. These findings provide valuable insights into the local chemical order in TiVNbHf(Al) alloys and demonstrate the usefulness of spatial statistics in characterizing nanoscale short-range order in complex systems.
APPLIED PHYSICS LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Wei Chen, Lin Li, Qiang Zhu, Houlong Zhuang
Summary: Complex concentrated alloys (CCAs) have attracted significant attention for their wide range of applications and novel properties. Chemical short-range ordering (CSRO) in CCAs plays a crucial role in understanding their properties and phase stability. This article reviews recent experimental efforts in identifying and characterizing CSRO in CCAs, and discusses theoretical and computational techniques, such as density functional theory (DFT) and molecular dynamics (MD), used to investigate CSRO effects.
Article
Materials Science, Multidisciplinary
Flynn Walsh, Anas Abu-Odeh, Mark Asta
Summary: This passage addresses the seemingly contradictory state of research on short-range order in many-component alloys by critically reviewing the characterization of face-centered-cubic 3d systems. Despite the lack of direct observations, the ordering of widely studied alloys is argued to be primarily interesting for its potential ubiquity. To clarify this situation, the article proposes future research directions based on historical results, including a review of the fundamental principles of ordering and clustering.
Article
Chemistry, Multidisciplinary
Jumpei G. Nakamura, Yukinobu Kawakita, Hirotaka Okabe, Bing Li, Koichiro Shimomura, Takashi Suemasu
Summary: Muon spin rotation (mu SR) experiments were conducted to investigate the temperature dependence of the short-range order or correlations of chromium spins in the paramagnetic phase of AgCrSe2. The results showed that short-range spin correlations developed below approximately 184 K, confirming controversial findings from previous quasi-elastic neutron scattering studies. The muon spin relaxation also exhibited a qualitative change and displayed significant missing asymmetry below around 89 K, indicating the presence of short-range spin order.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2023)
Article
Chemistry, Inorganic & Nuclear
John Hirtz, Eric C. O'Quinn, Igor M. Gussev, Joerg C. Neuefeind, Maik Lang
Summary: This study investigates the behavior of spinel materials at high temperatures. It reveals that spinel materials tend to reach a state of maximum disorder, with A and B cations randomly distributed among available sites. The temperature-induced cation inversion is expressed as an atomic rearrangement to a tetragonal symmetry, and a complex thermal expansion behavior is observed.
INORGANIC CHEMISTRY
(2022)
Article
Materials Science, Multidisciplinary
E. Antillon, C. Woodward, S. Rao, B. Akdim
Summary: Atomistic methods were used to anneal two BCC chemically complex alloys to evaluate the effect of chemical short-range order on alloy strength. It was found that annealing led to a softening of the BCC quaternary alloy but had minimal effect on solid solution strengthening in the ternary alloy. Results were modeled using an extension of the Suzuki model of substitutional solid solution strengthening, with good agreement between the model results and direct atomistic simulation data.
Article
Materials Science, Ceramics
P. Jovari, V Nazabal, C. Boussard, S. Cui, I Kaban, S. Michalik, M. A. Webb, D. Le Coq, R. Chernikov, N. Chen, J. Darpentigny
Summary: This study examined glasses with approximate compositions of GeTe4-Ag using multiple experimental techniques. By employing simulation techniques, the chemical correlations were determined. The results showed that Ge atoms were mainly fourfold coordinated, while Te atoms were predominantly twofold coordinated. Additionally, the addition of Ag did not alter the topology of the GeTe4 host network, and neighboring GeTe4 tetrahedra continued to predominantly exhibit corner sharing configuration.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
