Article
Physics, Multidisciplinary
Hasitha W. Suriya Arachchige, William R. Meier, Madalynn Marshall, Takahiro Matsuoka, Rui Xue, Michael A. McGuire, Raphael P. Hermann, Huibo Cao, David Mandrus
Summary: Stacked vanadium kagome layers in AV(3)Sb(5) compounds have been found to exhibit unusual charge density waves. In this study, a different charge density wave phenomenon is observed in ScV6Sn6, offering further opportunities to explore density wave order in kagome lattice materials.
PHYSICAL REVIEW LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Sumit Konar, Claire L. Hobday, Craig L. Bull, Nicholas P. Funnel, Qi Feng Chan, Angela Fong, Nurunnisa Atceken, Colin R. Pulham
Summary: A high-pressure neutron powder diffraction study and density functional theory calculations were conducted to investigate the structure and properties of perdeuterated para-xylene. The results demonstrate that para-xylene crystallizes in the monoclinic crystal system at low temperature, and the structural changes under pressure are minimal.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Multidisciplinary Sciences
Tatsuya Kozawa, Masayoshi Fujihala, Takeru Uchihara, Setsuo Mitsuda, Shin-ichiro Yano, Hiromu Tamatsukuri, Koji Munakata, Akiko Nakao
Summary: This paper presents a study on the effect of uniaxial stress on the magnetism and crystal structure of the intermetallic compound MnP. It is found that MnP exhibits an irreversible magnetization response at uniaxial stress as low as 0.04 GPa. Neutron diffraction experiments reveal the formation of crystal domains with pseudo-rotational symmetry unique to the MnP-type structure under uniaxial stress. The structure of the coexisting domains explains the stress-induced magnetism, a phenomenon termed atomic reconstruction (AR) induced by uniaxial stress. Furthermore, the study provides guidelines for searching for AR candidates.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Inorganic & Nuclear
Yifei Zhang, Joakim Brorsson, Takashi Kamiyama, Takashi Saito, Paul Erhart, Anders E. C. Palmqvist
Summary: This study investigates the chemical ordering in quaternary clathrates Ba8AlxGa16-xGe30, revealing differences in site occupancy factors of trivalent elements and atomic displacement patterns of Ba atoms based on synthesis methods. The research demonstrates key relationships between chemical ordering and structural properties, providing new insights for designing and optimizing thermoelectric materials.
INORGANIC CHEMISTRY
(2021)
Article
Instruments & Instrumentation
J. R. Bunn, C. M. Fancher, E. A. Payzant, P. A. Cornwell, W. B. Bailey, R. Gregory
Summary: This paper describes the hardware and software upgrades, operation, and performance of the high intensity diffractometer for residual stress analysis (HIDRA) instrument located at Oak Ridge National Laboratory in Oak Ridge Tennessee, USA. The upgraded instrument has a single He-3 multiwire 2D detector, providing a larger field of view and improved out of plane solid angle. The enhanced features of HIDRA have been demonstrated by conducting diffraction measurements in quenched 750-T74 aluminum.
REVIEW OF SCIENTIFIC INSTRUMENTS
(2023)
Article
Multidisciplinary Sciences
Boyuan Shen, Xiao Chen, Huiqiu Wang, Hao Xiong, Eric G. T. Bosch, Ivan Lazic, Dali Cai, Weizhong Qian, Shifeng Jin, Xin Liu, Yu Han, Fei Wei
Summary: Single-molecule imaging is a challenging yet beneficial technique for investigating intermolecular interactions at the molecular level, particularly van der Waals interactions at the sub-nanometre scale under confinement conditions. The use of a rotating para-xylene molecule as a pointer allows for real-space imaging and identification of changes in van der Waals interactions related to channel geometry. This study not only provides insight into host-guest interactions in porous materials, but also encourages further exploration of other single-molecule behaviors using electron microscopy techniques.
Article
Physics, Multidisciplinary
H. Takagi, R. Takagi, S. Minami, T. Nomoto, K. Ohishi, M. -t. Suzuki, Y. Yanagi, M. Hirayama, N. D. Khanh, K. Karube, H. Saito, D. Hashizume, R. Kiyanagi, Y. Tokura, R. Arita, T. Nakajima, S. Seki
Summary: The spontaneous topological Hall effect in triangular lattice compounds CoTa3S6 and CoNb3S6 is experimentally demonstrated, combining non-coplanar antiferromagnetic order with finite scalar spin chirality in the absence of a magnetic field. These compounds exhibit unconventionally large spontaneous Hall effects despite their small net magnetization, and the mechanism behind this phenomena is explained by the topological Hall effect associated with scalar spin chirality. The results suggest that the scalar spin chirality mechanism offers a promising route for the realization of a giant spontaneous Hall response in compensated antiferromagnets.
Article
Physics, Multidisciplinary
Shang Gao, Michael A. McGuire, Yaohua Liu, Douglas L. Abernathy, Clarina dela Cruz, Matthias Frontzek, Matthew B. Stone, Andrew D. Christianson
Summary: Using neutron scattering, a spiral spin liquid has been realized in the van der Waals honeycomb magnet FeCl3. A continuous ring of scattering is directly observed, indicating the emergence of an approximate U(1) symmetry in momentum space.
PHYSICAL REVIEW LETTERS
(2022)
Article
Chemistry, Physical
Rita Mendes Da Silva, Anita Zeidler, Hesameddin Mohammadi, Lawrence V. D. Gammond, Esther Giron Lange, Randall E. Youngman, Bruce G. Aitken, Alex C. Hannon, Chris J. Benmore, Gavin B. M. Vaughan, Philip S. Salmon
Summary: The structure of zinc aluminosilicate glasses with a wide composition range was investigated using neutron and high-energy x-ray diffraction and Al-27 magic angle spinning nuclear magnetic resonance spectroscopy. The results revealed a composition-dependent structure, where four-coordinated aluminum atoms were dominant and zinc played a role as both a network modifier and charge compensator. The coordination environment of zinc varied systematically with the glass composition, influencing the coordination number and bond distance.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
L. Heinze, M. D. Le, O. Janson, S. Nishimoto, A. U. B. Wolter, S. Suellow, K. C. Rule
Summary: In this study, the spin dynamics of the frustrated ferromagnetic chain compound linarite was investigated. The low-energy spin excitations of linarite in applied magnetic fields were measured, revealing a weak residual magnetic exchange coupling out of the plane. The effective set of exchange couplings for linarite was derived, considering the dominant intrachain and interchain couplings.
Article
Astronomy & Astrophysics
Duncan Adams, Daniel Baxter, Hannah Day, Rouven Essig, Yonatan Kahn
Summary: The Migdal effect has drawn significant attention in the dark matter direct detection community as it is powerful in constraining sub-GeV particle dark matter. Confirming the Migdal effect through nuclear scattering using the Standard Model probes is essential. This study extends the Migdal effect calculations to neutron-nucleus scattering, focusing on neutron scattering angle distributions in silicon. The authors identify kinematic regimes where the assumptions made in current calculations hold and propose an experimental strategy to measure the Migdal effect using cryogenic silicon detectors at the upgraded NEXUS facility in Fermilab.
Article
Instruments & Instrumentation
Lunhua He, Sihao Deng, Feiran Shen, Jie Chen, Huaile Lu, Zhijian Tan, Haibiao Zheng, Jiazheng Hao, Dandan Zhao, Qiangtao Ma
Summary: The first time of flight diffractometer, General Purpose Powder Diffractometer (GPPD), at the China Spallation Neutron Source (CSNS) entered the user program in 2018. GPPD is a flexible and versatile instrument used for studying the crystallographic and magnetic structures of polycrystalline materials. After more than 3 years of debugging and operation, the high performance of the diffractometer has been achieved, enabling a large number of user experiments and achievements.
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT
(2023)
Article
Physics, Condensed Matter
Joseph A. M. Paddison
Summary: Magnetic diffuse scattering, observed above a material's magnetic ordering temperature, contains valuable information about the material's magnetic Hamiltonian. However, lack of appropriate software has limited its utilization. This study presents an open-source program, Spinteract, for efficient refinement of magnetic interaction parameters using powder and single-crystal magnetic diffuse scattering data. Examples of refinements to published experimental data sets are given, along with guidelines for data collection and refinement, and discussions on potential developments of the approach.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2023)
Article
Chemistry, Analytical
Mathieu Nguyen, Jean-Baptiste Thomas, Ivar Farup
Summary: We developed a spatially resolved method and a nonlinear trust-region algorithm to estimate the optical properties of highly diffuse materials. Our method successfully estimated the absorption and scattering coefficients of milk samples, showing a linear correlation with the fat content. The absorption coefficients ranged from 1 x 10-3 to 8 x 10(-3) mm(-1), while the scattering coefficients ranged from 3 to 8 mm-1, depending on the fat percentage and assuming an anisotropy factor g>0.8.
Article
Physics, Multidisciplinary
Minoru Soda, Katsuhiro Morita, Georg Ehlers, Feng Ye, Takami Tohyama, Hideki Yoshizawa, Takatsugu Masuda, Hazuki Kawano-Furukawa
Summary: The magnetic diffuse scattering in YBaCo4O7 and LuBaCo4O7 with alternating kagome and triangular lattices was studied through neutron scattering measurements. Line-shape magnetic diffuse scattering was observed in YBaCo4O7 around the magnetic transition temperature, but not in LuBaCo4O7. The difference in propagation vectors of the observed magnetic reflections at low temperatures suggests a critical role of structural distortion in RBaCo4O7 for the magnetic properties.
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN
(2021)
Article
Materials Science, Multidisciplinary
Darren J. Goossens
Article
Chemistry, Multidisciplinary
T. R. Welberry, D. J. Goossens
Article
Chemistry, Multidisciplinary
Ross E. Whitfield, Darren J. Goossens, T. Richard Welberry
Article
Chemistry, Multidisciplinary
D. J. Goossens, E. J. Chan
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS
(2017)
Article
Chemistry, Multidisciplinary
E. J. Chan, D. J. Goossens
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2017)
Article
Chemistry, Multidisciplinary
Feng Ye, Yaohua Liu, Ross Whitfield, Ray Osborn, Stephan Rosenkranz
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2018)
Article
Instruments & Instrumentation
M. D. Frontzek, R. Whitfield, K. M. Andrews, A. B. Jones, M. Bobrek, K. Vodopivec, B. C. Chakoumakos, J. A. Fernandez-Baca
REVIEW OF SCIENTIFIC INSTRUMENTS
(2018)
Article
Chemistry, Multidisciplinary
James Weng, Eric D. Dill, James D. Martin, Ross Whitfield, Christina Hoffmann, Feng Ye
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2020)
Article
Chemistry, Multidisciplinary
Chris M. Fancher, Jeff R. Bunn, Jean Bilheux, Wenduo Zhou, Ross E. Whitfield, Jose Borreguero, Peter F. Peterson
Summary: The pyRS analysis software is designed to meet the data reduction and analysis needs of the HIDRA user community by implementing calibration, reduction, and single-peak-fitting analysis for texture and residual strain/stress analysis. The software components can be accessed as standalone user interfaces or Python scripts, with a scripting interface for automated data reduction and peak-fitting analysis.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2021)
Article
Computer Science, Software Engineering
William T. Heller, John Hetrick, Jean Bilheux, Jose M. Borreguero Calvo, Wei-Ren Chen, Lisa DeBeer-Schmitt, Changwoo Do, Mathieu Doucet, Michael R. Fitzsimmons, William F. Godoy, Garrett E. Granroth, Steven Hahn, Lilin He, Fahima Islam, Jiao Lin, Kenneth C. Littrell, Marshall McDonnell, Jesse McGaha, Peter F. Peterson, Sai Venkatesh Pingali, Shuo Qian, Andrei T. Savici, Yingrui Shang, Christopher B. Stanley, Volker S. Urban, Ross E. Whitfield, Chen Zhang, Wenduo Zhou, Jay Jay Billings, Matthew J. Cuneo, Ricardo M. Ferraz Leal, Tianhao Wang, Bin Wu
Summary: This article describes the drtsans software package developed at Oak Ridge National Laboratory for data reduction in small-angle neutron scattering experiments. The software has positively impacted the scientific programs on the EQ-SANS, GP-SANS, and Bio-SANS instruments.
Article
Chemistry, Multidisciplinary
Andrei T. Savici, Martyn A. Gigg, Owen Arnold, Roman Tolchenov, Ross E. Whitfield, Steven E. Hahn, Wenduo Zhou, Igor A. Zaliznyak
Summary: This paper presents a statistically correct method for adding and histogramming data for single-crystal time-of-flight neutron scattering measurements, with a focus on improving efficiency.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2022)
Article
Nuclear Science & Technology
Ehab Hassan, C. E. Kessel, J. M. Park, W. R. Elwasif, R. E. Whitfield, K. Kim, P. B. Snyder, D. B. Batchelor, D. E. Bernholdt, M. R. Cianciosa, D. L. Green, K. J. H. Law
Summary: This study examines different configurations for the core and pedestal plasma of a predefined tokamak design utilizing multiple heating/current drive sources to achieve high fusion power and maintain ideal MHD stability. The IPS-FASTRAN framework is used to simulate the plasma equilibrium, turbulent transport fluxes, H/CD systems, pedestal pressure and width, and ideal MHD stability. Various configurations are produced and evaluated for their impact on plasma configuration, fusion power, and confinement quality. Fully noninductive scenarios are achieved with high fusion gain and power, optimal confinement quality, and high bootstrap current fraction.
FUSION SCIENCE AND TECHNOLOGY
(2023)
Review
Instruments & Instrumentation
Richard Welberry, Ross Whitfield
QUANTUM BEAM SCIENCE
(2018)
Article
Physics, Condensed Matter
Darren J. Goossens