Article
Chemistry, Physical
A. Crespo, J. Gallenberger, M. De Santis, V. Langlais, F. Carla, J. M. Caicedo, J. Rius, X. Torrelles
Summary: The epitaxial growth and properties of anatase films deposited on SrTiO3 single crystals have been studied. The strain evolution, lattice parameters, and annealing effects were investigated. Pulsed laser deposition films grew into square islands that aligned with the substrate lattice directions. Film annealing melted the islands into flat terraces, with larger terraces achieved at higher temperatures. The growth process allowed control of surface terrace size and stoichiometry, making these films suitable for various applications.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Jianmin Jiao, Heng Li, Wang Xie, Yue Zhao, Chen Lin, Juli Jiang, Leyong Wang
Summary: X-ray crystallography is a reliable method for determining the structure and absolute configuration of organic molecules based on their single-crystal forms. However, many analytes are difficult to crystallize due to low melting points or conformational flexibility. This study presents a method for crystallizing oily organic molecules using a macrocycle as a host, allowing for successful determination of the guest structures and absolute configurations.
Article
Chemistry, Multidisciplinary
Jianmin Jiao, Heng Li, Wang Xie, Yue Zhao, Chen Lin, Juli Jiang, Leyong Wang
Summary: In this study, a host-guest crystallization method using a macrocycle was developed to determine the structure and absolute configuration of organic molecules with X-ray crystallography. The method successfully overcame the challenges of crystallizing difficult analytes and has significant applications.
Article
Materials Science, Ceramics
Qiqiang Zhang, Jia Luo, Bo Wen, Yanchun Zhou, Longsheng Chu, Qingguo Feng, Chunfeng Hu
Summary: In this work, two new α-312 MAX phase compounds of Zr3InC2 and Hf3InC2 were successfully synthesized using spark plasma sintering. The crystal structure and microstructure of these compounds were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM). The results confirmed the typical layered structure of MAX phases and observed obvious layered features on the fracture surface of Zr3InC2 and Hf3InC2 grains.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2023)
Article
Nanoscience & Nanotechnology
Yanting Deng, Jeffrey A. McKinney, Deepu K. George, Katherine A. Niessen, Akansha Sharma, Andrea G. Markelz
Summary: THz polarimetry offers unique insight into complex phenomena by isolating structural vibrations of proteins related to biological function. Two proposed methods, SSATS and SSATM, provide rapid measurement of linear dichroism and spectral reproducibility, showing the impact of protein intramolecular vibrations on biological function.
Article
Materials Science, Multidisciplinary
Tianchang Ma, Tomotaka Miyazawa, Toshiyuki Fujii
Summary: This study investigates the formation of deformation bands in copper single crystals with the stress axis oriented in the direction of the coplanar-double-slip system. The characteristics of deformation bands with kink bands are studied through multiple-plane observation, revealing that an inhomogeneous deformation causes the formation of deformation bands in double-slip-oriented copper single crystals at low plastic strain levels. The relationship between the deformation behavior and the activated slip systems is further explained by studying the crystallographic features of the deformation bands, improving the understanding of inhomogeneous deformation in single crystals.
MATERIALS CHARACTERIZATION
(2021)
Article
Chemistry, Multidisciplinary
Kei Hayashi, Sota Kawamura, Yusuke Hashimoto, Noboru Akao, Zhicheng Huang, Wataru Saito, Kaichi Tasaki, Koichi Hayashi, Tomohiro Matsushita, Yuzuru Miyazaki
Summary: Lattice defect engineering is a promising approach for developing thermoelectric materials with low thermal conductivity. In the case of Mg2Si single crystals, the introduction of Si vacancy defects leads to the formation of dislocation cores, resulting in a lower thermal conductivity compared to polycrystalline Mg2Si. This study investigated the effects of oxygen on lattice defects in Mg2Si single crystals and found that oxygen can stabilize the formation of Si vacancies by interacting with dislocation cores.
Article
Mechanics
Di Liu, Donglai Liu, Hailong Chen
Summary: This paper presents a novel nonlocal lattice particle method for full-field modeling of hexagonal close-packed (HCP) single crystals using reformulations of conventional continuum theories. The interaction between material particles in this method is nonlocal, and depends not only on the deformation states of the two particles, but also on the deformation states of all their neighbors. Equivalency assumptions are made to determine the material particle interaction for mechanical, thermal, and thermal-mechanical coupling problems. Numerical studies show good agreements between the results from the proposed method and the conventional continuum theories.
INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES
(2023)
Article
Chemistry, Multidisciplinary
Peter R. Spackman, Mark A. Spackman, Julian D. Gale
Summary: A new single-parameter interaction energy model is presented in this article, which calculates intermolecular interactions in molecular crystals and provides a better understanding of the complex interplay of driving forces. The model is calibrated using density functional theory calculations and validated against high-level reference data, showing outstanding performance in evaluating molecular crystal lattice energies and intermolecular interactions. The model is also compared to other methods, providing recommendations for the evaluation of intermolecular interactions in molecular crystal systems.
Article
Materials Science, Multidisciplinary
Anupriya Singh, Soumitra Satapathi
Summary: This study demonstrates reversible thermochromism in all-inorganic Cs3Sb2I9 perovskite single crystals, showing a color change between red and dark-brown with temperature variations. The reversible thermochromism is attributed to lattice expansion and strain relaxation at elevated temperatures, making these perovskites promising for smart thermochromic windows and temperature sensor applications.
ADVANCED OPTICAL MATERIALS
(2021)
Article
Robotics
Ke Xu, Shuang Xu, Qi Qi
Summary: This paper proposes a new method for achieving high-precision robot positioning using a laser tracker as an external measuring tool to collect data. The paper also introduces an innovative kinematics parameter identification algorithm based on BOA-PSO to solve kinematics error parameters and improve the accuracy of kinematics parameter identification. Additionally, three optimization strategies are introduced to enhance the algorithm's ability to solve kinematic parameter errors and ensure the compensation effect of robot positioning errors.
INTELLIGENT SERVICE ROBOTICS
(2023)
Article
Chemistry, Physical
Siqi Lin, Linlin Guo, Xianghu Wang, Yue Liu, Yuying Wu, Rongbin Li, Hezhu Shao, Min Jin
Summary: This study demonstrates the excellent thermoelectric and mechanical properties of large-sized Ag2Se single crystals grown on low-symmetric (201) crystal planes using the Bridgeman method. The crystals show high carrier mobility, low lattice thermal conductivity, and good ductility, indicating their great potential for various applications near room temperature.
JOURNAL OF MATERIOMICS
(2023)
Article
Materials Science, Multidisciplinary
Christopher A. Mizzi, Binghao Guo, Laurence D. Marks
Summary: Experimental values for the flexoelectric responses of different single crystal materials are reported, showing a linear relationship and effective short-circuit flexoelectric coefficients ranging from 1-10nC/m. The calculated flexocoupling voltages significantly vary among the investigated materials and contradict the previous assumption of being equal to 1-10V. Importantly, low dielectric constant materials can have flexocoupling voltages exceeding nominal expectations.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Tinku Dan, Ashutosh Mohanty, Anirban Dutta, Rahul Mahavir Varma, Sagar Sarkar, Igor Di Marco, Olle Eriksson, Edmund Welter, Simone Pollastri, Luca Olivi, K. R. Priolkar, D. D. Sarma
Summary: The Vegard's law accurately describes the evolution of lattice parameters in solid solutions, with investigations revealing common features between cationic and anionic solid solutions, while also questioning the accuracy of the concept of chemical pressure. Additionally, there were qualitative differences found between cationic and anionic solid solutions.
Article
Microscopy
Xiaonan Luo, Aakash Varambhia, Weixin Song, Dogan Ozkaya, Sergio Lozano-Perez, Peter D. Nellist
Summary: This article introduces the method and technique of strain analysis using STEM images and discusses the applicability of different deformation parameters in atomic-scale research. The study found that local lattice parameters and principal strain components are the most physically meaningful parameters.
