Review
Materials Science, Paper & Wood
Yan Song, Xianzhi Meng, Wei Jiang, Barbara R. Evans, Haoxi Ben, Yuanming Zhang, Yunqiao Pu, Sai Venkatesh Pingali, Brian H. Davison, Sai Zhang, Guangting Han, Arthur J. Ragauskas
Summary: Deuterated cellulose has significant applications in neutron scattering studies, providing insights into the structure and interactions of cellulose in plant cell walls.
Article
Chemistry, Physical
Mikhail A. Kuzovnikov, Vladimir E. Antonov, Thomas Hansen, Alexandre S. Ivanov, Alexander Kolesnikov, Valery Kulakov, Vitaly D. Muzalevsky, Stanislav Savvin, Marek Tkacz
Summary: Three hydrides - PdHx, MoHx, and TiHx - exhibit an inverse isotope effect in superconductivity, where the phase with a heavier hydrogen isotope, deuterium, has a higher critical temperature. The origin of this effect is not yet certain, but the commonly accepted explanation points to the strong anharmonicity of optical hydrogen vibrations.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Multidisciplinary
Nicholas P. Funnell, David R. Allan, Andrew G. P. Maloney, Ronald I. Smith, Cameron J. G. Wilson, Simon Parsons
Summary: This study reports the use of pressure to control the isotopic polymorphism phenomenon in the 4-methylpyridine pentachlorophenol co-crystal, resulting in the formation of a hydrogenated monoclinic co-crystal. This new form, which cannot be obtained directly by compressing the triclinic form, is grown from solution under pressure induction. Further Density Functional Theory calculations outline the conditions under which the remaining triclinic-deuterated form might be obtained.
Article
Chemistry, Physical
A. M. Balagurov, S. V. Sumnikov, J. Cifre, V. V. Palacheva, D. G. Chubov, I. S. Golovin
Summary: In this study, in situ neutron diffraction and internal friction techniques were combined to comparatively analyze the structural and functional properties of Fe-26Al alloy. The results revealed the relationship between thermal treatments, microstructure, phase transformations, and anelastic (internal friction) properties of the alloy.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
T. N. Vershinina, N. Yu. Samoylova, S. V. Sumnikov, A. M. Balagurov, V. V. Palacheva, I. S. Golovin
Summary: The evolution in phase composition of as-cast Fe-Ga alloys during continuous heating and subsequent cooling was studied, and distinct stages of phase formation were identified based on neutron diffraction analysis.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Analytical
Giulia Festa, Adriana P. Mamede, David Goncalves, Eugenia Cunha, Winfried Kockelmann, Stewart F. Parker, Luis A. E. Batista de Carvalho, Maria Paula M. Marques
Summary: The first neutron diffraction study of in-situ anaerobic burning of human bones investigates the heat-induced changes in bone structure. The study reveals the structural reorganization of bone matrix at different temperatures and the absence of carbonates and organic constituents at high temperatures. These findings contribute to a better understanding of heat-prompted changes in bone and have implications in forensic science, archeology, and other biomaterial studies.
ANALYTICAL CHEMISTRY
(2023)
Article
Nanoscience & Nanotechnology
Wu Gong, Takuro Kawasaki, Ruixiao Zheng, Tsuyoshi Mayama, Binxuan Sun, Kazuya Aizawa, Stefanus Harjo, Nobuhiro Tsuji
Summary: The deformation behavior of a commercial AZ31 magnesium alloy was studied during uniaxial compression at 21 K and 298 K using in-situ neutron diffraction. Decreasing the deformation temperature led to a slight increase in yield stress, but a remarkable enhancement in both the fracture stress and fracture strain. The low temperature sensitivity of the {10 (1) over bar2} extension twinning resulted in the slight increase in yield stress. At 21K, basal slip was suppressed, while extension twinning was promoted, leading to a higher twin volume fraction. The suppression of {10 (1) over bar1}-{10 (1) over bar2} double twinning in the late stage of deformation was considered to be the reason for the delayed fracture at 21 K.
SCRIPTA MATERIALIA
(2023)
Article
Chemistry, Physical
Haiyan He, Bing Wang, Dong Ma, Alexandru D. Stoica, Zhenduo Wu, Si Lan, Muhammad Naeem, Xun-Li Wang
Summary: In the low-cycle fatigue study of CrFeCoNiMo0.2 high entropy alloy, dislocation slip was identified as the main deformation mechanism, and a three-stage ratcheting behavior was observed. The increase in dislocation density due to ratcheting strain was found to stabilize the structure and improve fatigue resistance.
Article
Metallurgy & Metallurgical Engineering
Wu Gong, Ruixiao Zheng, Stefanus Harjo, Takuro Kawasaki, Kazuya Aizawa, Nobuhiro Tsuji
Summary: The twinning and detwinning behavior of a commercial AZ31 magnesium alloy during cyclic compression-tension deformation was studied using various characterization techniques. The results showed that the volume fraction and number of residual twins increased with the number of cycles, leading to a decrease in the yield strength of compression deformation.
JOURNAL OF MAGNESIUM AND ALLOYS
(2022)
Article
Chemistry, Multidisciplinary
Guanqi Qiu, Chi-Li Ni, Robert R. Knowles
Summary: We report a diagnostic framework for elucidating the mechanisms of photoredox-based hydrogen isotope exchange (HIE) reactions based on hydrogen/deuterium (H/D) fractionation. The traditional thermal HIE methods proceed by reversible bond cleavage and bond reformation steps, while light-driven HIE reactions can proceed via multiple, non-degenerate sets of elementary steps. The fractionation method presented here extracts information regarding the nature of the key bond-forming and bond-breaking steps.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Multidisciplinary Sciences
Keishiro Yamashitaa, Kazuki Komatsua, Stefan Klotz, Oscar Fabelo, Maria T. Fernandez-Diaz, Jun Abed, Shinichi Machidad, Iakanori Hattorie, Ietsuo Irifune, Ioru Shinmeif, Kazumasa Sugiyama, Ioru Kawamata, Hiroyuki Kagi
Summary: Ice polymorphs exhibit diverse structures and physical properties under pressure and temperature changes. Determining the disordered structure in these ice polymorphs has been challenging due to limited observable space and inaccuracies in high-pressure techniques. This study elucidates the unique disordered structure of ice VII, the dominant high-pressure form of water, using single-crystal and powder neutron-diffraction techniques. The findings reveal a ring-like distribution of hydrogen atoms contrary to the commonly accepted discrete sites, shedding light on the structural origin of the anomalous physical properties of ice VII under pressure.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Materials Science, Ceramics
Shammya Afroze, Nico Torino, Md Sumon Reza, Nikdalila Radenahmad, Quentin Cheok, Paul F. Henry, Abul K. Azad
Summary: The study investigated the structural and electrochemical properties of the double perovskite-type oxide PrBaMnMoO6-delta using neutron diffraction and in-situ conductivity measurement. Results revealed a monoclinic crystal structure with minor phases present. Morphological images showed a porous and intertwined microstructure.
CERAMICS INTERNATIONAL
(2021)
Article
Chemistry, Physical
A. Shuitcev, R. N. Vasin, A. M. Balagurov, L. Li, I. A. Bobrikov, S. Sumnikov, Y. X. Tong
Summary: The thermoelastic martensitic transformation in the polycrystalline Ti29.7Ni50.3Hf10Zr10 alloy was studied using high-resolution and in situ neutron diffraction. The study found that the B19' martensite and austenite have different thermal expansion behaviors. Some disordered austenite does not participate in the martensitic transformation. The addition of Hf and Zr atoms leads to the deterioration of the crystallographic compatibility between martensite and austenite, causing large thermal hysteresis and volume changes upon transformation.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Analytical
Giulia Festa, Adriana P. Mamede, David Goncalves, Eugenia Cunha, Winfried Kockelmann, Stewart F. Parker, Luis A. E. Batista de Carvalho, Maria Paula M. Marques
Summary: The first neutron diffraction study on the in-situ anaerobic burning of human bones was conducted to interpret heat-induced changes in bone, previously detected using vibrational spectroscopy. Structural and crystallinity variations were observed in human femur, tibia, and reference hydroxyapatite samples when heated under anaerobic conditions. The study provides insight into the structural reorganization of the bone matrix at different temperatures and can contribute to the understanding of heat-prompted changes in bone, which can serve as biomarkers for burning temperature. This information is important for forensic science, archaeology, and other biomaterial studies.
ANALYTICAL CHEMISTRY
(2023)
Article
Nanoscience & Nanotechnology
Pramote Thirathipviwat, Sega Nozawa, Moe Furusawa, Yusuke Onuki, Makoto Hasegawa, Katsushi Matsumoto, Shigeo Sato
Summary: It is well known that variations in alloy composition and grain size can effectively improve the mechanical properties of non-heat-treatable aluminum alloys like Al-Mg alloys. This study conducted in-situ neutron diffraction experiments to investigate the evolution of dislocation density and characteristics during tensile deformation of Al-Mg. The results showed that higher Mg content and smaller grain size led to higher dislocation density, resulting in higher flow stress and strain hardening rate.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2022)
Article
Automation & Control Systems
Md Alamgir Hossain, Evan Gray, Junwei Lu, Md Rabiul Islam, Md Shafiul Alam, Ripon Chakrabortty, Hemanshu Roy Pota
Summary: This article proposes a novel framework, CEMOLS, to improve the prediction accuracy of very short-term wind power generation. The framework combines CEEMDAN, MBO, and LSTM models and demonstrates an improvement in forecasting accuracy compared to the benchmark model.
IEEE TRANSACTIONS ON INDUSTRIAL INFORMATICS
(2023)
Article
Chemistry, Physical
Saif ZS. Al Ghafri, Caitlin Revell, Mauricio Di Lorenzo, Gongkui Xiao, Craig E. Buckley, Eric F. May, Michael Johns
Summary: A comprehensive techno-economic assessment demonstrates the viability of a complete hydrogen supply chain based on the transport of liquefied natural gas (LNG), which can significantly reduce CO2 emissions and meet targeted hydrogen supply costs up to 2050. Steam methane reforming (SMR) with carbon capture and storage (CCS) is the most cost-effective and has the lowest CO2 emission intensity among the assessed hydrogen production technologies. Future technologies and strategies can further reduce cost and supply chain emissions.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Thomas A. Hales, Kasper T. Moller, Terry D. Humphries, Anita M. D'Angelo, Craig E. Buckley, Mark Paskevicius
Summary: Metal dodecaborate salts are highly tunable ion conductors. By replacing a [B-H] unit with a Pb atom, the crystal structure of alkali metal salts can be modified to enhance ion conductivity. Li2B11H11Pb center dot xH2O exhibits similar superionic conductivity to LiCB11H12, while Na2B11H11Pb center dot xH2O and the potassium salt show lower conductivities. The divalent B11H11Pb2- anion in the dodecaborate cage may contribute to the weaker ion conductivity compared to CB11H12-. However, the insertion of a lead atom shows promise in enabling high ion conductivity in the solid state.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Amanda Berger, Ainee Ibrahim, Craig E. Buckley, Mark Paskevicius
Summary: Due to insufficient resources, high cost, and safety concerns of Li-ion batteries, alternative technologies are being explored. Multivalent metal batteries with solid-state electrolytes show potential for future battery applications. Divalent hydrated closo-monocarborane salts demonstrate improved ionic conductivity and oxidative stability as solid-state electrolytes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Ainee Ibrahim, Mark Paskevicius, Craig E. E. Buckley
Summary: As the demand for renewable energy increases, the development of energy storage and distribution solutions becomes crucial. Hydrogen, with its high gravimetric energy density, is an abundant energy source that can be used in fuel cells to generate electricity, producing only water vapor as a by-product. In order to improve the volumetric energy density in storage tanks for hydrogen storage and refueling stations, hydrogen compression is required. It is suggested that sodium borohydride (NaBH4), a hydrogen carrier, could be used to transport and chemically compress hydrogen for refueling stations, and the study has demonstrated the chemical compression of hydrogen to over 1000 bar using hydrolysis or methanolysis of NaBH4. Interest has been growing in improving the cost of closed-cycle regeneration of NaBH4 as an energy carrier, and a cost and efficiency analysis shows that it may be cost competitive with alternative methods of hydrogen transport.
SUSTAINABLE ENERGY & FUELS
(2023)
Article
Chemistry, Physical
Sruthy Balakrishnan, Terry D. Humphries, Mark Paskevicius, Craig E. Buckley
Summary: Calcium hydride has shown potential as a hydrogen storage and thermochemical energy storage material, but its high operating temperature has limited its application and research on its hydrogen sorption thermodynamics. This study provides experimental data on the thermodynamic properties and activation energy of CaH2 in both solid and molten states, filling the gap in the thermodynamics of the Ca-H system for the first time in over 60 years.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Kyran Williamson, Kasper T. T. Moller, Anita M. M. D'Angelo, Terry D. D. Humphries, Mark Paskevicius, Craig E. E. Buckley
Summary: This study introduces a new reactive carbonate composite (RCC) that uses Fe2O3 to destabilize BaCO3 and reduce its decomposition temperature, making it more suitable for thermal energy storage. The RCC demonstrates promising potential for next-generation thermal energy storage due to its low cost and high energy density. The thermodynamic parameters for the reversible CO2 reactions were determined and found to be significant for the RCC.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Lucie Desage, Terry D. Humphries, Mark Paskevicius, Craig. E. Buckley
Summary: Thermochemical energy storage has the potential to enable large-scale storage of renewable energy by integrating with power production facilities. The use of metal hydrides, particularly calcium hydride with the addition of aluminium, allows for lower operating temperatures and excellent working conditions for thermal energy storage.
SUSTAINABLE ENERGY & FUELS
(2023)
Article
Chemistry, Physical
Thomas A. Hales, Kasper T. Moller, Terry D. Humphries, Anita M. D'Angelo, Craig E. Buckley, Mark Paskevicius
Summary: Metal substituted dodecaborate anions coupled with alkali metal cations show promise as solid-state ion conductors for batteries. Substituting a B-H unit in an unsubstituted dodecaborate cage with a tin atom produces a stable and polar divalent anion, resulting in improved ion conductivity. Li2B11H11Sn exhibits high ion conductivity at 130 degrees C, similar to LiCB11H12, but achieving high ion conductivity at room temperature is challenging.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)