Article
Engineering, Electrical & Electronic
Scott A. Mathews, Olaf M. J. Van't Erve, Mehmet A. Noyan, Nicholas A. Charipar
Summary: Nickel thin films (100 nm) deposited on 128 degrees Y-cut: LiNbO3 exhibit well-defined uniaxial magnetic anisotropy after annealing at 325 degrees C. The angular remanence of the easy axis decreases significantly within a narrow range of angles, providing insight into the angular distribution of the anisotropy axes. The magnetic domain structure of the films is confirmed through magneto-optic Kerr effect imaging.
IEEE TRANSACTIONS ON MAGNETICS
(2021)
Article
Chemistry, Physical
Artur Chrobak
Summary: This paper discusses spring-exchange magnetic systems that consist of magnetically soft and hard phases. It consists of two parts: a review of hard magnetic materials, focusing on ultra-high coercive compounds and selected spring-exchange systems; and a theoretical discussion based on Monte Carlo micromagnetic simulations on the possible enhancement of the hard magnetic properties of systems with magnetically soft, high, and ultra-high coercive phases. The analyzed systems show potential for improving the |BH|(max) parameter, bridging the gap between conventional and Nd-based permanent magnets. The simulations also indicate the advantages and limitations of spring-exchange composites, which could reduce the need for rare earth elements in permanent magnet applications.
Article
Chemistry, Physical
Dilimulati Aierken, Michael Bachmann
Summary: The recently introduced generalized microcanonical inflection-point analysis method can systematically identify and classify transitions in systems of any size, as well as distinguish transitions that standard canonical analysis cannot resolve. By applying this method to a generic coarse-grained model for semiflexible polymers, researchers have identified a mixed structural phase dominated by secondary structures such as hairpins and loops, which originates from a bifurcation in the hyperspace spanned by inverse temperature and bending stiffness. This intermediate phase highlights the importance of balancing entropic variability and energetic stability in functional macromolecules under physiological conditions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Physics, Multidisciplinary
Ming-Xiu Sui, Zi-Bo Zhang, Xiao-Dan Chi, Jia-Yu Zhang, Yong Hu
Summary: The study investigated the magnetic state in an in-plane helimagnet layer on triangular lattice and found that the formation of labyrinthlike domains and dense skyrmion crystals occurs under certain conditions. The magnetic state can vary with increasing interfacial exchange coupling and in-plane anisotropy energy, demonstrating different behaviors such as irregular squeezed skyrmions and chiral inversion under specific circumstances.
FRONTIERS OF PHYSICS
(2021)
Article
Chemistry, Physical
Seonkwang Yoon, Chaehun Lee, Ho-Dong Kim, Hee Seo
Summary: The present study quantitatively determined the correlation between prompt neutron angular distributions and sample multiplication for three spontaneously fissionable nuclides using Monte Carlo simulations. It was found that asymmetry decreases with increasing leakage multiplication, and the extent of this variation depends on the specific nuclear isotopes. The net-area-based parameter was identified as the optimal asymmetry parameter, and fitting equations were established for regression analysis to determine leakage multiplication as a function of the asymmetry parameter for each isotope of interest.
RADIATION PHYSICS AND CHEMISTRY
(2021)
Article
Materials Science, Multidisciplinary
Georgios Stratis, Phillip Weinberg, Tales Imbiriba, Pau Closas, Adrian E. Feiguin
Summary: This article explores the use of neural networks to replace exact diagonalization in Monte Carlo simulations of hybrid quantum-classical models. By learning the free energy and the eigenvalues of the Hamiltonian, fast sample generation can be achieved. While all models perform well in one dimension, only the neural network outputting eigenvalues captures the correct behavior in two dimensions.
Article
Multidisciplinary Sciences
Guangdong Chen, Hanwen Pei, Xuefei Zhang, Wei Shi, Mingjie Liu, Charl F. J. Faul, Bai Yang, Yan Zhao, Kun Liu, Zhongyuan Lu, Zhihong Nie, Yang Yang
Summary: This study demonstrates that achiral dumbbell-shaped colloids can assemble into various liquid crystal phases, including blue phase III. Phase diagrams show that the existence and stability of liquid crystal phases depend on the geometrical parameters of colloids. This work opens a new route for the design and construction of blue phases in photonic applications.
NATURE COMMUNICATIONS
(2022)
Article
Biochemistry & Molecular Biology
Akie Kowaguchi, Paul E. Brumby, Kenji Yasuoka
Summary: This work demonstrates the advantages of using the temperature and pressure replica-exchange method to investigate phase transitions and hysteresis in liquid-crystal fluids. By applying this method to the Hess-Su liquid-crystal model, heat capacity peaks and phase co-existence points were observed, and the identity of the crystalline phase was determined. It highlights the importance of caution when simulating meta-stable nematic states at higher densities in this system.
Article
Chemistry, Medicinal
Alexander Zech, Timur Bazhirov
Summary: This article presents an effort to organize the diverse landscape of physics-based and data-driven computational models in order to facilitate the storage of associated information as structured data. The authors apply object-oriented design concepts and propose an open-source collaborative framework that can uniquely describe methods, cover widely used models, and utilize collective intelligence.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2022)
Article
Physics, Multidisciplinary
Zhong-Yue Gao, Dan Lv, Wei Wang, Lin-Mei Yang, Lei Sun, Feng Wang
Summary: Monte Carlo simulation was used to study the magnetic and thermodynamic properties of a ferrimagnetic mixed-spin (1, 3/2) Ising fullerene-like X-20 structure with embedded metal atom. The system exhibited multiple stable saturation values of magnetization and intermediate metastable values at zero temperature. The blocking temperature increased with decreasing anisotropies or increasing exchange coupling, magnetic field, and concentration of surface shell atom. Additionally, interesting phenomena such as double-loop hysteresis behavior were observed, resulting from the competition between different physical parameters.
Article
Physics, Multidisciplinary
W. C. Li, Z. Q. Liu, J. Y. Chen, D. Xie, X. W. Yao, Z. X. Deng
Summary: In this study, the effect of uniaxial stress on the stability of magnetic skyrmions is investigated using Monte Carlo simulations. The results show that uniaxial stress can stabilize the skyrmion phase.
Article
Nuclear Science & Technology
Yun-Huang Zhang
Summary: This paper presents a nonrecursive residual Monte Carlo method for estimating discretization errors in radiation transport problems with the S-N transport solution. The technique is applied to the mono-energetic 1-D S-N equation with linear-discontinuous finite element method spatial discretization, and the results of conforming and simplified representations are compared. The simplified representation significantly reduces the memory footprint and computational complexity while accurately capturing the error associated with certain types of responses.
NUCLEAR SCIENCE AND TECHNIQUES
(2022)
Article
Materials Science, Multidisciplinary
Serban Lepadatu, George Mckenzie, Tim Mercer, Callum Robert MacKinnon, Philip Raymond Bissell
Summary: The use of parallel Monte Carlo algorithms for computation of magnetic parameter temperature dependences in atomistic simulations has been demonstrated to be over 200 times faster than serial algorithms, allowing for efficient computations in large systems with millions of atomistic spins.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
A. Omelyanchik, S. Villa, M. Vasilakaki, G. Singh, A. M. Ferretti, A. Ponti, F. Canepa, G. Margaris, K. N. Trohidou, D. Peddis
Summary: By designing nanoparticle systems with core/shell morphology, magnetic anisotropy was successfully modulated, leading to adjustments in magnetic dipolar interactions between particles. Both nanoparticle systems exhibit high saturation magnetisation and display superparamagnetic behavior at room temperature, with strong exchange coupling observed at the core/shell interface.
NANOSCALE ADVANCES
(2021)
Article
Materials Science, Multidisciplinary
Ruijun Li, Fan Zhang, Yong Hu
Summary: The study on the temperature dependence of exchange bias field and coercivity is crucial for solving the writing/reading dilemma in magnetic recording. Based on recent experimental findings, a complete switch between the exchange bias field and coercivity with temperature is proposed. The performance, characterized by average switching temperature (TS) and switching temperature width (ATW), is controlled by antiferromagnetic anisotropy (KAF) and exchange coupling (JAF) constants.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2022)
Article
Physics, Applied
H. Zhang, N. Guan, V. Piazza, A. Kapoor, C. Bougerol, F. H. Julien, A. V. Babichev, N. Cavassilas, M. Bescond, F. Michelini, M. Foldyna, E. Gautier, C. Durand, J. Eymery, M. Tchernycheva
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2017)
Article
Chemistry, Multidisciplinary
Parmeshwar Prasad, Nishta Arora, A. K. Naik
Article
Physics, Applied
Chandan Samanta, Nishta Arora, A. K. Naik
APPLIED PHYSICS LETTERS
(2018)
Article
Nanoscience & Nanotechnology
Akanksha Kapoor, Nan Guan, Martin Vallo, Agnes Messanvi, Lorenzo Mancini, Eric Gautier, Catherine Bougerol, Bruno Gayral, Francois H. Julien, Francois Vurpillot, Lorenzo Rigutti, Maria Tchernycheva, Joel Eymery, Christophe Durand
Article
Chemistry, Multidisciplinary
Parmeshwar Prasad, Nishta Arora, A. K. Naik
Article
Nanoscience & Nanotechnology
Akanksha Kapoor, Sylvain Finot, Vincent Grenier, Eric Robin, Catherine Bougerol, Joel Bleuse, Gwenole Jacopin, Joel Eymery, Christophe Durand
ACS APPLIED MATERIALS & INTERFACES
(2020)
Article
Physics, Applied
Aneesh Dash, Swapnil K. More, Nishta Arora, A. K. Naik
Summary: Utilizing the Duffing nonlinearity in a parametrically excited MoS2 nano-electromechanical system, a bifurcation amplifier has been implemented to achieve highly sensitive detection and recording of weak charge fluctuations, demonstrating the feasibility of detecting ultra-low charge perturbations at room temperature and the potential for tunable operation in the radio frequency regime, offering new possibilities in quantum sensing.
APPLIED PHYSICS LETTERS
(2021)
Article
Physics, Applied
Nishta Arora, Akshay K. Naik
Summary: Nonlinear modal interactions and internal resonance phenomena have been widely used to improve oscillator performance and sensing capabilities. This study demonstrates tunable modal interaction in a MoS2 resonator by using electrostatic gate voltages. The tunable coupling allows for commensurate modes and energy exchange between the modes. The observed energy exchange is attributed to 1:2 internal resonance and strongly impacts the resonator dynamics. Modeling the device helps explain the effects of excitation, frequency detuning, and intermodal coupling strength. MoS2 resonators offer valuable insights into the dynamics enabled by intermodal coupling.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2022)
Proceedings Paper
Engineering, Electrical & Electronic
Nishta Arora, Parmeshwar Prasad, Akshay Naik
Summary: This work provides experimental evidence to support the theoretical understanding of the microscopic origin of nonlinear damping in MoS2 resonators mediated through intermodal coupling. It is observed that intermodal coupling plays a significant role in energy dissipation in atomically thin membranes. The findings confirm the importance of understanding nonlinear damping in two-dimensional materials.
2022 IEEE 35TH INTERNATIONAL CONFERENCE ON MICRO ELECTRO MECHANICAL SYSTEMS CONFERENCE (MEMS)
(2022)
Proceedings Paper
Engineering, Electrical & Electronic
Nishta Arora, Akshay Naik
Summary: This study introduces an ultrathin molybdenum disulfide membrane-based temperature sensor with high sensitivity in the sub-Kelvin range. By utilizing the resonant frequency shift caused by strain change, the potential of these devices for ultrasensitive temperature sensing is demonstrated. The ultimate temperature detection limit of MoS2 membrane-based device is estimated in this research.
Article
Materials Science, Multidisciplinary
Akanksha Kapoor, Vincent Grenier, Eric Robin, Catherine Bougerol, Gwenole Jacopin, Bruno Gayral, Maria Tchernycheva, Joel Eymery, Christophe Durand
Summary: A dual-color emission is achieved by combining two monolithic sets of core-shell multiple quantum wells (MQWs) grown on GaN microwires, showing blue and green emissions. Advanced structural characterization reveals the growth of two sets of MQWs and their color emission sources on m-plane sidewall surfaces. LED based on these core-shell MQWs can be fabricated with multiple color emission possibilities.
ADVANCED PHOTONICS RESEARCH
(2021)
Article
Chemistry, Multidisciplinary
Chandan Samanta, Nishta Arora, Kranthi Kumar, Srinivasan Raghavan, A. K. Naik
Proceedings Paper
Engineering, Electrical & Electronic
Nan Guan, Xing Dai, Hezhi Zhang, Lorenzo Mancini, Akanksha Kapoor, Catherine Bougerol, Francois H. Julien, Nicolas Cavassilas, Martin Foldyna, Christophe Durand, Joel Eymery, Maria Tchernycheva
2017 19TH INTERNATIONAL CONFERENCE ON TRANSPARENT OPTICAL NETWORKS (ICTON)
(2017)
Article
Chemistry, Physical
J. Zamora, T. Bautista, N. S. Portillo-Velez, A. Reyes-Montero, H. Pfeiffer, F. Sanchez-Ochoa, H. A. Lara-Garcia
Summary: Experimental and DFT studies were conducted on the structural, magnetic, and optical properties of RFeO3 perovskites. The perovskites exhibited an orthorhombic crystal structure and weak ferromagnetic behavior. They were confirmed to be semiconductors with a bandgap of approximately 2.1 eV.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xianxiang Lv, Jing Jin, Weiguang Yang
Summary: By depositing TiN and TiO2 surface layers on AlSi films, the electrochemical performance of silicon-based anodes can be significantly improved, suppressing volume expansion and promoting the formation of a stable SEI layer.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Sharafat Ali, Haider Ali, Syedul Hasnain Bakhtiar, Sajjad Ali, Muhammad Zahid, Ahmed Ismail, Pir Muhammad Ismail, Amir Zada, Imran Khan, Huahai Shen, Rizwan Ullah, Habib Khan, Mohamed Bououdina, Xiaoqiang Wu, Fazal Raziq, Liang Qiao
Summary: The construction and optimization of redox-heterojunctions using a bifunctional phosphate as an electron-bridge demonstrated significant improvements in photo catalytic activity, including enhanced dispersion, reduced interfacial migration resistance, and increased abundance of active-sites.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Ren-Ni Luan, Na Xu, Chao-Ran Li, Zhi-Jie Zhang, Yu-Sheng Zhang, Jun Nan, Shu-Tao Wang, Yong-Ming Chai, Bin Dong
Summary: Extensive research has revealed that oxygen evolution reaction (OER) in alkaline conditions involves dynamic surface restructuring. The development and design of sulfide/oxide pre-catalysts can reasonably adjust the composition and structure after surface reconstruction, which is crucial for OER. This study utilized a simple two-step hydrothermal method to achieve in situ S leaching and doping, inducing the composition change and structure reconstruction of CoFe oxides. The transformed FeOOH and CoOOH exhibited excellent OER activity and could be easily mass-produced using low-cost iron based materials and simple methods.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Jun'an Lai, Daofu Wu, Peng He, Kang An, Yijia Wang, Peng Feng, WeiWei Chen, Zixian Wang, Linfeng Guo, Xiaosheng Tang
Summary: Zero-dimensional organic-inorganic metal halides (OMHs) are gaining attention in the fabrication of light-emitting diodes due to their broad emission band and high photoluminescence quantum yield. This work synthesized a zero-dimensional organic tetraphenylphosphonium bismuth chloride (TBC) that showed efficient blue light emission, with the emission mechanism attributed to the transition of Bi3+ ions. White light-emitting diodes (WLEDs) were fabricated using TBC, along with green-emitting and red-emitting single crystals, achieving single-component white emissions. These findings demonstrate the different emission mechanism of ns2 ions-based OMHs and highlight the potential of bismuth-based OMHs in WLEDs applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xuewei Liang, Yunhai Su, Taisen Yang, Zhiyong Dai, Yingdi Wang, Xingping Yong
Summary: The revolutionary design concept of high-entropy alloys has brought new opportunities and challenges to the development of advanced metal materials. In this work, AlCrCuFe2NiTix high-entropy flux cored wires were prepared by combining the design idea of a high-entropy alloy with the characteristics of flux cored wire. AlCr-CuFe2NiTix high-entropy surfacing alloys were prepared using gas metal arc welding technology. The wear properties of the alloys were analyzed, and the phase composition, microstructure, strengthening mechanism, and wear mechanism were discussed. The results show that the alloys exhibit a dendritic microstructure with BCC/B2 + FCC phases. Increasing Ti content leads to the precipitation of Laves phase. The alloys show improved microhardness and wear resistance due to the precipitation of coherent B2 and Laves phases. However, excessive Ti addition results in the increase of Laves phase and reduced wear resistance of the alloys.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
M. Vadivel, M. Senthil Pandian, P. Ramasamy, Qiang Jing, Bo Liu
Summary: This work presents the enhanced photocatalytic and electrochemical performance of g-C3N4 assisted PAA on CoFe2O4 ternary nanocomposites. The incorporation of PAA and g-C3N4 improves the separation efficiency of photogenerated charge carriers, resulting in superior photocatalytic degradation and high specific capacitance values.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Vibhu T. Sivanandan, Ramany Revathy, Arun S. Prasad
Summary: In this study, pure and doped cobalt ferrite nanoparticles were prepared using the sol-gel auto-combustion method with the aid of lemon juice as eco-fuel. The crystal structure, lattice parameter, crystallite size, microstrain, optical parameters, and room temperature magnetic properties of the samples were analyzed. The effect of doping on the magnetic properties was also investigated.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Qing Guo, Bowen Zhang, Benzhe Sun, Yang Qi
Summary: This study prepared ZnO films with various nonpolar preferred orientations using conventional chemical bath deposition method and characterized their growth process and mechanism. It was found that the type and concentration of nitrate could control the preferred orientation and surface roughness of ZnO films. Additionally, ZnO films with different preferred orientations exhibited different optical properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Chong Zhang, Yan Liu, Zhaoyan Wang, Hang Yang
Summary: In this study, six bimetallic FeCo particles were synthesized via the hydrothermal method at different Fe:Co ratios. The Fe:Co ratio not only modulates the composition of the particles but also influences their structure and magnetic properties. The FeCo alloys showed a transformation from an Fe-based structure to a Co-based structure with increasing Co content. The Fe:Co ratio of 1:1 and 3:1 resulted in particles with the highest and lowest saturation magnetization, respectively.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Jianning Zhang, Jing Li, Yiren Wang, Xiaodong Mao, Yong Jiang
Summary: We conducted a study on the formation of ultra-fine Y-Ti-Ta-O nano-oxides in Ta+B micro-alloyed 13CrWTi-ODS alloys using electron microscopy and first-principles calculations. The Y-Ti-Ta-O nano-oxides were found to be mainly Y2(Ti,Ta)2O7, with an average size of 7 nm and a number density of 6.8 x 1023 m-3. Excess boron was found to enhance the adhesion of some low-sigma grain boundaries but weaken the Fe/Y2Ti2O7 interface, while excess tantalum enhanced the Fe/Y2Ti2O7 interface but caused serious degradation of grain boundaries.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Yirong Fang, Pei Cheng, Hang Yuan, Hao Zhao, Lishu Zhang
Summary: A new composite system of nitrogen-doped reduced graphene oxide and black phosphorus quantum dots has been developed for tumor therapy, showing improved electrochemical properties and stability. The system generates hydrogen peroxide and hydroxyl radical to effectively kill tumor cells.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xiufang Qin, Yuanli Ma, Hui Zhang, Ting Zhang, Fang Wang, Xiaohong Xu
Summary: The structure and magnetism of cobalt ferrites after Mn2+-Tb3+ co-doping were studied. Co-doped samples exhibited cubic spinel structure and spherical shape of ferrite nanoparticles. The redistribution of Co2+ and Fe3+ ions between octahedral and tetrahedral sites was observed due to Mn2+-Tb3+ co-doping. The coercivity and magnetization saturation of co-doped samples were significantly improved, leading to a maximum energy product that is 190% higher than that of the un-doped sample.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Ho Yeon Lee, Wonjong Yu, Yoon Ho Lee
Summary: Recently, there has been an increasing interest in developing ultra-fine nanostructured electrodes with extensive reaction areas to enhance the performance and low-temperature operation of solid oxide fuel cells. The use of a refined approach involving co-sputtering metal alloys and oxide targets has demonstrated the feasibility of nano-columnar structures in perovskite-based electrodes, expanding the temperature range of thin film electrodes. This study systematically examines the effects of chamber pressure control in the co-sputtering process and identifies the intricate relationship between sputtering pressure and film structure. By fine-tuning the columnar growth in the electrode, significant improvements in performance and thermo-mechanical properties were achieved, resulting in high-performance all-sputtered solid oxide fuel cells.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Qianyun Bai, Xiaoxiao Yan, Da Liu, Kang Xiang, Xin Tu, Yanhui Guo, Renbing Wu
Summary: This study proposes a simple method to develop a non-precious transition metal-based electrocatalyst with high catalytic activity and robustness for the hydrogen evolution reaction. The as-synthesized electrode exhibits a low overpotential and high current density, indicating its potential in energy conversion.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
