Article
Physics, Applied
Lagen Kumar Pradhan, Jyotirekha Mallick, Anant Shukla, Murli Kumar Mangalm, Pawan Kumar, Paramjit Kour, Manoranjan Kar
Summary: In this study, the temperature-dependent dynamic ferroelectric hysteresis of a semiconductor-relaxor ferroelectric composite was investigated. The results show that the polarization reversal mechanism is strongly dependent on temperature and can be explained by the concept of ferroelectric domain switching kinetics. The role of polar nanoregion induced thermal depolarization field in the temperature-dependent ferroelectric hysteresis loop was identified. The incorporation of semiconductor particles overcomes the depolarization field-induced pinched loops of the ferroelectric solid solution, leading to unique ferroelectric switching behavior. The temperature-dependent polarization reversal mechanism exhibits two-stage processes for different electric fields.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Mechanics
Zhiyuan Zhang, Songshan Zhao, Miaomiao Xu, Yang Zhang, Yongzhong Huo
Summary: The stress-director coupling of monodomain nematic elastomers may lead to soft deformation and the appearance of stripe domains under uniaxial tension. A continuum mechanical model and finite element method were used to investigate the loading-unloading hysteretic behavior of thin monodomain nematic elastomer sheets. The study found that stripe domains appeared in the center of the specimens after the critical strain was reached in orthogonal uniaxial loading tests, and these domains did not disappear during unloading, resulting in large stress-strain hysteresis and unloading residual strain.
INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES
(2022)
Article
Chemistry, Multidisciplinary
Panithan Sriboriboon, Huimin Qiao, Seunghun Kang, Changhyo Sun, Yunseok Kim
Summary: Ionically mediated phenomena are crucial for the functioning of devices, affecting both electrical properties and mechanical deformation, yet the relationship between these two aspects still needs further investigation. This study examines ionically mediated mechanical deformation in a TiO2 single crystal and reveals a relationship between mechanical deformation and electrical properties based on ionic behavior. Additionally, a method utilizing an ionic state variable is proposed to simplify the relationship between electrochemical strain hysteresis and memristive switching.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Physics, Applied
Wen Di Zhang, Jun Jiang, An Quan Jiang
Summary: This study demonstrates a high storage density ferroelectric domain-wall memory achieved through repetitive erasure/creation of conducting domain walls. The research reveals that the domain switching kinetics deviates from the traditional model and is influenced by defect pinning at certain sizes.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Chemistry, Physical
Ki Hoon Shin, Sumin Jeong, Jongwon Yoon, Eunmin Kim, Woong-Ki Hong, Jung Inn Sohn
Summary: In this study, the strain-induced metallic filament domains in VO2 films were found to exhibit abrupt resistive switching behavior with a small hysteresis. These findings provide an important strategy to modulate and utilize the unique hysteresis behavior properties of the metal-insulator transition in VO2 by controlling the configuration of metallic and insulating stripe domains.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Optics
Tong Ye, Yongzhuo Li, Junze Li, Hongzhi Shen, Junwen Ren, Cun-Zheng Ning, Dehui Li
Summary: The study demonstrated an efficient and nonvolatile electrochemical-doping method for manipulating the valley polarization of interlayer excitons in van der Waals heterostructures. A significant excitonic/valley-polarized hysteresis was observed in WS2/WSe2 heterostructures, leading to the successful demonstration of a nonvolatile valley-addressable memory. These findings open up new possibilities for nonvolatile valley-addressable memory and may inspire further research on valleytronic devices.
LIGHT-SCIENCE & APPLICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Niluefer Ertekin, Sasan Rezaee
Summary: This research investigates the influence of oxygen and barium vacancies in Ba(1-3x)TiO3(1-x), as well as oxygen and titanium vacancies in BaTi((1-3x/2))O3((1-x)) (x = 0.0033), on the behavior of memristors through molecular dynamics (MD) simulation. The results indicate that the type of pairs vacancies significantly affects the ion diffusion, response to voltage, and hysteresis loop area.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Meihong Liu, Qiuyue Li, Chengkun Song, Hongmei Feng, Yawen Song, Lei Zhong, Lining Pan, Chenbo Zhao, Qiang Li, Jie Xu, Shandong Li, Jianbo Wang, Qingfang Liu, Derang Cao
Summary: FeNi films with stripe domain pattern were prepared and their magnetic and microwave properties were tested. The results showed that the magnetization of the films depended on the direction of the stripe domain, and the rotation of the stripe domain lagged behind the magnetization reversal. The dynamic properties of the stripe domain exhibited hysteresis before the saturation magnetic field and could be selectively excited by different modes.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2022)
Article
Multidisciplinary Sciences
Xiaoming Shi, Jing Wang, Xingwang Cheng, Houbing Huang
Summary: Research has shown that nano-second strain-pulses can induce ultrafast domain switching at the beginning of the pulse, after which the domain structure of the material remains stable. Furthermore, complete switching of c domain to a domain can also be achieved through periodic small magnitude strain pulses.
ADVANCED THEORY AND SIMULATIONS
(2022)
Article
Mechanics
Yuanqi Fang, Yao Yang, Keqi Hu, Gaofeng Wang, Jingxuan Li, Yao Zheng
Summary: This study explores the interactions between different modal structures in annular combustors, focusing on the TurboCombo combustor. Experimental results and dynamic mode decomposition are used to analyze the stability and frequency characteristics of the combustor.
Article
Chemistry, Physical
Jinshi Dong, Yutao Zhang, Dekun Li, Alexander Adogwa, Shijun Huang, Ming Yang, Jiaqiang Yang, Qianqian Jin
Summary: Pt-CeO2 catalysts were investigated for their structure-performance relationships during CO oxidation. It was found that the activity did not increase linearly with Pt loading, and a sharp decrease and hysteresis loop in activity occurred when the Pt loading exceeded 0.25%. By combining chemisorption and spectroscopy techniques, it was concluded that Pt single atoms tended to aggregate into Pt clusters, while Pt nanoparticles underwent oxidation to form PtxOy ensembles at elevated temperatures. Density functional theory calculations showed that the different adsorption properties of CO and O2 on Pt species with different sizes were the primary causes of the observed evolution behaviors.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2023)
Article
Chemistry, Inorganic & Nuclear
Vibe B. Jakobsen, Shalinee Chikara, Jie-Xiang Yu, Emiel Dobbelaar, Conor T. Kelly, Xiaxin Ding, Franziska Weickert, Elzbieta Trzop, Eric Collet, Hai-Ping Cheng, Grace G. Morgan, Vivien S. Zapf
Summary: The study reveals a giant magnetoelectric effect in a specific compound, where a permanent switching of structural, electrical, and magnetic properties can be induced by applying a magnetic field. This effect is attributed to the change in spin states leading to polarization and symmetry-breaking phase transitions.
INORGANIC CHEMISTRY
(2021)
Article
Engineering, Electrical & Electronic
Dong Hyun Lee, Geun Hyeong Park, Se Hyun Kim, Kun Yang, Jaewook Lee, Hyojun Choi, Younghwan Lee, Jin Ju Ryu, Je In Lee, Gun Hwan Kim, Min Hyuk Park
Summary: This study investigated the effects of different electrode materials on the properties of ferroelectric HZO films. The results showed that the Mo electrode reduced device-to-device variation, while the W and TiN electrodes were beneficial for achieving high-speed operations.
IEEE ELECTRON DEVICE LETTERS
(2023)
Article
Chemistry, Physical
Denis Alikin, Alexander Abramov, Anton Turygin, Anton Ievlev, Victoria Pryakhina, Dmitry Karpinsky, Qingyuan Hu, Li Jin, Vladimir Shur, Alexander Tselev, Andrei Kholkin
Summary: A novel method based on switching spectroscopy piezoresponse force microscopy (SSPFM) is proposed for probing subsurface charged defects in ferroelectric materials with nanometer-scale spatial resolution. Compared with composition-sensitive methods, SSPFM shows high sensitivity to electric potential variations from charged defects. It also demonstrates the capability to evaluate dynamics of polarization screening caused by charged defects, which is of significant interest for understanding defect-mediated processes in ferroelectrics.
Article
Materials Science, Multidisciplinary
Chhatra R. Joshi, Mahendra Acharya, Gary J. Mankey, Arunava Gupta
Summary: This study investigates the effects of thickness on the room-temperature polarization-voltage (P-V) hysteresis loop, leakage current, and average domain size of multiferroic BiFeO3 (BFO) films. The results demonstrate that BFO films indeed follow the Ishibashi-Orihara (I-O) model and the Kay-Dunn scaling law at room temperature. The dimensionality of the observed domains using piezoresponse force microscopy imaging is consistent with the results from the I-O model and Kittel's law. These findings provide valuable insights into the fundamental properties that govern the switching kinetics of BFO and their relevance for next-generation logic and memory devices operating at a wide range of frequencies.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Endocrinology & Metabolism
Li Xi, Yi Zhang, Himadri Gupta, Nick Terrill, Pan Wang, Tian Zhao, Daining Fang
Summary: Glucocorticoid-induced osteoporosis is a major form of secondary osteoporosis, increasing the risk of fractures in patients. This study used multi-scale experimental techniques to reveal specific material-level changes in GIOP patients, providing insight into the altered structure-property relationship leading to mechanical abnormalities.
Article
Materials Science, Ceramics
Keqiang Zhang, Rujie He, Guojiao Ding, Xuejian Bai, Daining Fang
Summary: This study investigated the effects of adding fine grains and sintering additives on Al2O3 ceramics manufactured by stereolithography additive manufacturing. By introducing both fine grains and sintering additives, defect-free Al2O3 ceramic lattice structures with high precision and compressive strength were successfully fabricated.
CERAMICS INTERNATIONAL
(2021)
Article
Acoustics
Ruxin Gao, Xianbo Sun, Haitao Liao, Ying Li, Daining Fang
Summary: The symplectic wave-based method is extended to analyze free and forced vibrations of thin orthotropic circular cylindrical shells with arbitrary boundary conditions. The study derives the characteristic equation for these shells and uses the phase coincidence condition to determine the relationship between wave modal shape and natural modal shape, providing analytical procedures for vibration analysis. Additionally, the method shows better accuracy and convergence, especially for high-frequency vibrations, compared to existing methods.
JOURNAL OF SOUND AND VIBRATION
(2021)
Article
Materials Science, Multidisciplinary
Feiyu Xiong, Chenyang Huang, Orion L. Kafka, Yanping Lian, Wentao Yan, Mingji Chen, Daining Fang
Summary: An integrated modeling framework involving discrete element method, finite volume method, and extended cellular automaton method is proposed to study grain growth and microstructure evolution in powder bed fusion additive manufacturing. The simulation results are qualitatively consistent with experimental observations, demonstrating the effectiveness of the modeling framework in understanding and controlling microstructural development.
MATERIALS & DESIGN
(2021)
Article
Chemistry, Multidisciplinary
Qiang Zhang, Xiao Kuang, Shayuan Weng, Liang Yue, Devin J. Roach, Daining Fang, Hang Jerry Qi
Summary: A novel 4D printing method has been developed in this study, utilizing multi-material digital light process 3D printing of shape memory polymers to fabricate structures that can later transform into complex 3D shapes with robust mechanical properties through pneumatic manipulation. Experimental investigations demonstrate the capability of printing various complex shapes with strong mechanical stiffness and lightweight features, providing new potential applications in biomedical devices, reconfigurable structures, and metamaterials.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Materials Science, Ceramics
Keqiang Zhang, Kai Wei, Jiaxin Chen, Bo Liang, Daining Fang, Rujie He
Summary: This study developed multi-ceramic structures with tunable thermal expansion, including NTE, ZTE, and PTE, using stereolithography additive manufacturing technology. Functionally gradient ceramic layers were used to release thermal mismatch stress, and the thermal expansion behavior was characterized using a homemade testing system. The proposed design, fabrication, and characterization methods are expected to promote engineering applications.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2021)
Article
Materials Science, Multidisciplinary
P. Wang, K. F. Wang, B. L. Wang, L. Xi, K. Sano, T. Shimada, H. Hirakata, D. N. Fang
Summary: This study aims to stably and accurately measure the interlaminar fracture toughness (IFT) of multilayered Bi2Te3 for evaluating the reliability of its thermoelectric devices. By developing a tapered cantilever bending (TCB) experiment, the measurement of IFT for Bi2Te3 was successfully achieved, providing a new method for assessing multilayered materials.
EXPERIMENTAL MECHANICS
(2022)
Article
Materials Science, Multidisciplinary
Ruishen Lou, Huimin Li, Jiehua Zhong, Chun Zhang, Daining Fang
Summary: A model for bond formation in the FDM process was studied, showing the importance of fidelity to initial configuration and boundary conditions during the bonding process. Gravity has contrasting effects on bonds in the vertical and horizontal directions, requiring a balance between utilizing gravity to enhance bonding and maintaining dimensional accuracy.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
(2021)
Article
Materials Science, Multidisciplinary
Jin Chen, Yang Yang Zhou, Hong Chen Chu, Yun Lai, Huan Yang Chen, Mingji Chen, Daining Fang
Summary: An achromatic deep subwavelength lens with large numerical aperture and high efficiency has been proposed and manufactured, achieving deep subwavelength focusing and magnified far-field radiation. The theoretical analysis and experimental results are in good agreement, indicating the potential application of the lens in deep subwavelength engineering systems.
ADVANCED OPTICAL MATERIALS
(2021)
Article
Materials Science, Composites
Qiubo Li, Yihui Chen, Yanfei Chen, Shigang Ai, Daining Fang
Summary: This study aims to investigate the effect of void defects on the failure behavior and strength of C/SiC composites. Micro-computed tomography and finite element models were used to study the influence of void volume fractions and geometry on the materials. This research is important for better understanding the impact of defects on the mechanical behavior of composite materials.
APPLIED COMPOSITE MATERIALS
(2022)
Article
Mechanics
Dong Wu, Zeang Zhao, Hongshuai Lei, Hao-Sen Chen, Qiang Zhang, Panding Wang, Daining Fang
Summary: Natural tissues can self-strengthen through biological growth, while synthetic materials are typically static. The concept of bio-inspired materials aims to develop materials with dynamically programmable performances. A solvent-free elastomer composite system is proposed in this study, which can be strengthened through tunable self-growth cycles and is compatible with Digital Light Processing (DLP) 3D printing for fast manufacturing of high-precision structures.
COMPOSITE STRUCTURES
(2022)
Article
Materials Science, Composites
Chunwang He, Jingran Ge, Xiaofei Cao, Yanfei Chen, Haosen Chen, Daining Fang
Summary: Manufacturing uncertainties in composites, such as carbon fiber deviations and voids, can impact mechanical properties. Although experiments have been conducted, quantitative characterization of fiber radius and shape deviations, and matrix void content, remain a challenge. A computational micromechanics study was conducted to understand the effects of manufacturing uncertainties on the mechanical behavior of UD composites under different loading conditions. The methodology involved establishing constitutive laws for constituents, modeling RVEs with deviations based on observations, and predicting stress-strain curves and failure modes.
COMPOSITES SCIENCE AND TECHNOLOGY
(2022)
Article
Materials Science, Ceramics
Yanfei Chen, Shigang Ai, Pan Wang, Daining Fang
Summary: A physically based constitutive model for braided silicon carbide ceramic matrix composites (CMCs-SiC) at ultra-high temperature is developed, considering material orthotropy, temperature effect, tension-compression asymmetry, and crack closure effect. The model, implemented using a return mapping algorithm, shows good agreement with experimental data in predicting stress-strain relationships at different stress states and temperatures.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2022)
Review
Chemistry, Multidisciplinary
Jixiang Qi, Zihao Chen, Peng Jiang, Wenxia Hu, Yonghuan Wang, Zeang Zhao, Xiaofei Cao, Shushan Zhang, Ran Tao, Ying Li, Daining Fang
Summary: Active mechanical metamaterials combine mechanical metamaterials with smart materials for superior performance, with structures designed based on principles such as phase transition and strain mismatch. External stimuli like temperature, chemicals, and light are used for control and efficiency.
Article
Multidisciplinary Sciences
Handong Jiao, Zhaoliang Qu, Shuqiang Jiao, Yang Gao, Shijie Li, Wei-Li Song, Haosen Chen, Hongmin Zhu, Rongqi Zhu, Daining Fang
Summary: High-temperature electrochemistry is widely used but real-time observations and in-depth understanding of its evolution are limited. In this study, a high-temperature electrolysis facility with in situ x-ray computer microtomography was developed to probe the dynamic evolution of electrodes. The results provide insights into the efficiency and mechanisms of the process, as well as real-time optimization.
Correction
Materials Science, Multidisciplinary
A. D. Boccardo, M. Tong, S. B. Leen, D. Tourret, J. Segurado
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Tao Li, Qing Hou, Jie-chao Cui, Jia-hui Yang, Ben Xu, Min Li, Jun Wang, Bao-qin Fu
Summary: This study investigates the thermal and defect properties of AlN using molecular dynamics simulation, and proposes a new method for selecting interatomic potentials, developing a new model. The developed model demonstrates high computational accuracy, providing an important tool for modeling thermal transport and defect evolution in AlN-based devices.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Shin-Pon Ju, Chao-Chuan Huang, Hsing-Yin Chen
Summary: Amorphous boron nitride (a-BN) is a promising ultralow-dielectric-constant material for interconnect isolation in integrated circuits. This study establishes a deep learning potential (DLP) for different forms of boron nitride and uses molecular dynamics simulations to investigate the mechanical behaviors of a-BN. The results reveal the structure-property relationships of a-BN, providing useful insights for integrating it in device applications.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
M. Salman, S. Schmauder
Summary: Shape memory polymer foams (SMPFs) are lightweight cellular materials that can recover their undeformed shape through external stimulation. Reinforcing the material with nano-clay filler improves its physical properties. Multiscale modeling techniques can be used to study the thermomechanical response of SMPFs and show good agreement with experimental results.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Laura Gueci, Francesco Ferrante, Marco Bertini, Chiara Nania, Dario Duca
Summary: This study investigates the acidity of 30 Bronsted sites in the beta-zeolite framework and compares three computational methods. The results show a wide range of deprotonation energy values, and the proposed best method provides accurate calculations.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
K. A. Lopes Lima, L. A. Ribeiro Junior
Summary: Advancements in nanomaterial synthesis and characterization have led to the discovery of new carbon allotropes, including biphenylene network (BPN). The study finds that BPN lattices with a single-atom vacancy exhibit higher CO2 adsorption energies than pristine BPN. Unlike other 2D carbon allotropes, BPN does not exhibit precise CO2 sensing and selectivity by altering its band structure configuration.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Jay Kumar Sharma, Arpita Dhamija, Anand Pal, Jagdish Kumar
Summary: In this study, the quaternary Heusler alloys LiAEFeSb were investigated for their crystal structure, electronic properties, and magnetic behavior. Density functional theory calculations revealed that LiSrFeSb and LiBaFeSb exhibit half-metallic band structure and 100% spin polarization, making them excellent choices for spintronic applications.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Roman A. Eremin, Innokentiy S. Humonen, Alexey A. Kazakov, Vladimir D. Lazarev, Anatoly P. Pushkarev, Semen A. Budennyy
Summary: Computational modeling of disordered crystal structures is essential for studying composition-structure-property relations. In this work, the effects of Cd and Zn substitutions on the structural stability of CsPbI3 were investigated using DFT calculations and GNN models. The study achieved accurate energy predictions for structures with high substitution contents, and the impact of data subsampling on prediction quality was comprehensively studied. Transfer learning routines were also tested, providing new perspectives for data-driven research of disordered materials.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Zhixin Sun, Hang Dong, Yaohui Yin, Ai Wang, Zhen Fan, Guangyong Jin, Chao Xin
Summary: In this study, the crystal structure, electronic structure, and optical properties of KH2PO4: KDP crystals under different pressures were investigated using the generalized gradient approximate. It was found that high pressure caused a phase transition in KDP and greatly increased the band gap. The results suggest that high pressure enhances the compactness of KDP and improves the laser damage threshold.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Tingting Yu
Summary: This study presents atomistic simulations revealing that an increase in driving force may result in slower grain boundary movement and switches in the mode of grain boundary shear coupling migration. Shear coupling behavior is found to effectively alleviate stress and holds potential for stress relaxation and microstructure manipulation in materials.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Y. Zhang, X. Q. Deng, Q. Jing, Z. S. Zhang
Summary: The electronic properties of C2N/antimonene van der Waals heterostructure are investigated using density functional theory. The results show that by applying horizontal strain, vertical strain, electric field, and interlayer twist, the electronic structure can be adjusted. Additionally, the band alignment and energy states of the heterostructure can be significantly changed by applying vertical strain on the twisted structure. These findings are important for controlling the electronic properties of heterostructures.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Chad E. Junkermeier, Evan Larmand, Jean-Charles Morais, Jedediah Kobebel, Kat Lavarez, R. Martin Adra, Jirui Yang, Valeria Aparicio Diaz, Ricardo Paupitz, George Psofogiannakis
Summary: This study investigates the adsorption properties of carbon dioxide (CO2), methane (CH4), and dihydrogen (H2) in carbophenes functionalized with different groups. The results show that carbophenes can be promising adsorbents for these gases, with high adsorption energies and low desorption temperatures. The design and combination of functional groups can further enhance their adsorption performance.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Y. Borges, L. Huber, H. Zapolsky, R. Patte, G. Demange
Summary: Grain boundary structure is closely related to solute atom segregation, and machine learning can predict the segregation energy density. The study provides a fresh perspective on the relationship between grain boundary structure and segregation properties.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
M. R. Jones, L. T. W. Fey, I. J. Beyerlein
Summary: In this work, a three-dimensional ab-initio informed phase-field-dislocation dynamics model combined with Langevin dynamics is used to investigate glide mechanisms of edge and screw dislocations in Nb at finite temperatures. It is found that the screw dislocation changes its mode of glide at two distinct temperatures, which coincides with the thermal insensitivity and athermal behavior of Nb yield strengths.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Materials Science, Multidisciplinary
Joshua A. Vita, Dallas R. Trinkle
Summary: This study introduces a new machine learning model framework that combines the simplicity of spline-based potentials with the flexibility of neural network architectures. The simplified version of the neural network potential can efficiently describe complex datasets and explore the boundary between classical and machine learning models. Using spline filters for encoding atomic environments results in interpretable embedding layers that can incorporate expected physical behaviors and improve interpretability through neural network modifications.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
