Article
Chemistry, Physical
Feng Chen, Xinhui Zhang, Xiaoning Guan, Shuli Gao, Jinbo Hao, Long Li, Yazhao Yuan, Chunling Zhang, Wen Chen, Pengfei Lu
Summary: Twin T-graphene, nitrogen-doped twin T-graphene, and boron-doped twin T-graphene are potential hydrogen storage materials with high storage capacity, ideal adsorption energy, and suitable desorption temperature. This research expands the application of heteroatom-doped carbon-based materials.
APPLIED SURFACE SCIENCE
(2023)
Article
Physics, Applied
Mingjie Nie, Yan Ge, Ziyi Liu, Zhicheng Miao, Jiayi Zou, Jiangyi Ding, Zhihong Yang, Huazhong Su, Gang Yan, Yunhui Wang, Lan Bi
Summary: The hydrogen storage performance of Sc (Ti, Li)-modified psi-graphene (psi-g) was investigated using density functional theory. The results show that Sc and Ti can be stably adsorbed on psi-g with high binding energies. In addition, Sc and Ti-modified psi-g can adsorb up to ten and eight hydrogen molecules, respectively, reaching high hydrogen gravimetric storage capacities. Li atoms attached on B-doped psi-g can also adsorb up to eight hydrogen molecules with a high hydrogen gravimetric storage capacity.
INTERNATIONAL JOURNAL OF MODERN PHYSICS B
(2022)
Article
Energy & Fuels
Hui He, Xiaoduo Xu, Dan Liu, Jing Li, Yuhui Wei, Haolin Tang, Junsheng Li, Xi Li, Zhi-Zhong Xie, Deyu Qu
Summary: Nitrogen-doped activated carbon materials show excellent hydrogen storage performance, with high hydrogen storage capacity and retention rate. The main nitrogen functional groups include pyrrole N, pyridine N oxide, and nitro N.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Article
Chemistry, Physical
Caiyun Xu, Sheng Yang, Qinlong Fan, Zhizhong Xie, Dan Liu, Xi Li, Ruiming Zhang, Haolin Tang, Junsheng Li, Deyu Qu
Summary: To enhance the hydrogen storage performance, Pt-Co bi-metallic nanoparticles were decorated onto N-doped mesoporous carbon material where Co enriched the capacity and Pt enhanced the kinetic performance. The 2% Pt-Co@NMC material exhibited a hydrogen storage capacity of over 360 mAh g-1 at a current density of 100 mA g-1, with a capacity retention of 53.6% at the 2000 mA g-1 rate compared to 100 mA g-1. It also showed low self-discharge and good cycling performance. First-principles calculations demonstrated that the adsorption of H atom on the Pt (110) crystal plane was the most stable, contributing to the improvement of the kinetic performance for hydrogen intercalation.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Yuexin Liu, Dongchen Shen, Zhengkai Tu, Lu Xing, Yongchul G. Chung, Song Li
Summary: Metal-organic framework/graphene oxide (MOF/GO) composites have been investigated for their hydrogen storage performance. The research shows that MOF/GO composites based on small-pore MOFs exhibit enhanced hydrogen storage capacity, while those based on large-pore MOFs show decreased capacity. The study also found that the introduction of lithium ions (Li+) can affect the hydrogen storage capacity, with low Li+ loading improving capacity and high Li+ loading reducing capacity.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Multidisciplinary
Qunhong Weng, Lula Zeng, Zhiwei Chen, Yuxin Han, Kang Jiang, Yoshio Bando, Dmitri Golberg
Summary: Hydrogen fuel cell vehicles face high costs due to inefficient hydrogen storage technologies, with research showing that the chemical states of porous boron nitride materials significantly impact their hydrogen adsorption performances.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Guojin Zhang, Daniel Morrison, Guochen Bao, Haibo Yu, Chang Won Yoon, Taekyong Song, Jihye Lee, Alison T. Ung, Zhenguo Huang
Summary: A new amine-borane system with reversible dehydrogenation and regeneration at room temperature has been discovered, producing unique dehydrogenation products with a distinct cyclic structure that can be easily converted back to the original amine-borane. This finding may pave the way for the discovery of new amine-boranes with potential applications as hydrogen storage materials.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Carlos Ayestaran Latorre, James P. Ewen, Daniele Dini, M. C. Righi
Summary: Diamond and diamond-like carbon coatings are widely used in various fields, and the hydrophilicity of these surfaces is crucial for their biocompatibility and tribological performance in aqueous environments. Different dopants such as B, N, and O have been studied for their effects on carbon film hydrophilicity, with results showing enhancement of hydrophilicity through different mechanisms, notably through spontaneous chemisorption and increased interaction in H-bond networks by B dopants.
Article
Chemistry, Physical
Wei-Kean Chong, Boon-Junn Ng, Xin Ying Kong, Lling-Lling Tan, Lutfi Kurnianditia Putri, Siang-Piao Chai
Summary: The construction of a heterojunction has traditionally been considered the main technique for effective solar-driven photocatalytic water splitting. However, the realization of a p-n homojunction is an attractive scheme due to non-defective layer coupling and minor charge transfer impedance. In this study, nitrogen-doped ZnIn2S4 (N-ZIS) with dual p-n charge properties was easily synthesized via a one-step in-situ solvothermal method. The results show that the substitution of host intrinsics with extrinsic nitrogen atoms improves the charge transfer rate and inhibits electron-hole pair recombination. First-principle density functional theory calculations confirm that the p-n nature induced by N-doping redistributes charge in the ZIS framework and reduces the kinetic barrier of the hydrogen evolution reaction.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2023)
Article
Nanoscience & Nanotechnology
R. Deji, B. C. Choudhary, Ramesh K. Sharma
Summary: In this study, the sensing material for HCN gas was optimized using simulation software, and it was found that Phosphorus doped and BP co-doped ArGNR exhibited strong adsorption capabilities towards the Cyanide molecule, making them potential candidates for HCN gas sensor applications.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
(2021)
Article
Engineering, Chemical
Wooyoung Choi, Seung Eun Choi, Jae Seung Seol, Jeong Pil Kim, Minsu Kim, Hyungjoon Ji, Ohchan Kwon, Hanim Kim, Ki Chul Kim, Dae Woo Kim
Summary: A layered composite membrane composed of nanoporous graphene and polyethylene oxide is developed, which demonstrates ultrafast H-2 permeability and moderate selectivity. The presence of nanopores and expansion of interlayer spacing significantly enhance the permeation of gas molecules.
JOURNAL OF MEMBRANE SCIENCE
(2022)
Article
Chemistry, Physical
Parisasadat Mousavian, Mehdi D. Esrafili, Jaber J. Sardroodi
Summary: The study investigates the adsorption and storage of methane on Sc-decorated boron-rich C48B12 fullerene through first principles computations. It is found that Sc atoms preferentially bind to hexagonal holes of C48B12, allowing for a high gravimetric density of methane storage. The results suggest that Sc-decorated C48B12 is an ideal material for methane storage.
CHEMICAL PHYSICS LETTERS
(2022)
Article
Engineering, Electrical & Electronic
R. Deji, B. C. Choudhary, Rajender Singh, Ramesh K. Sharma
Summary: This study investigates the adsorption of nitrogen oxide gases on armchair graphene nanoribbons, and finds that the Boron-Phosphorus co-doped system shows better adsorption capabilities compared to Boron-doped or pristine structures, making it a promising material for gas sensing applications.
SENSORS AND ACTUATORS A-PHYSICAL
(2021)
Article
Chemistry, Multidisciplinary
Yiming Liao, Ruochen Peng, Shudi Peng, Wen Zeng, Qu Zhou
Summary: The study investigated the adsorption structures of intrinsic graphene, Ge-doped graphene, and Cr-doped graphene to H-2 and C2H2 gas molecules, finding that the CrG system exhibited superior adsorption performances, especially towards C2H2 gas. The Cr-doped graphene showed the highest adsorption energy and shortest adsorption distance, indicating its promising potential in the field of C2H2 gas-sensing detection.
Article
Chemistry, Multidisciplinary
Wandee Rakrai, Chanukorn Tabtimsai, Chatthai Kaewtong, Sopis Chuekachang, Somchai Keawwangchai, Tasawan Keawwangchai, Banchob Wanno
Summary: Density functional theory calculations were used to study the adsorption of nH(2) (n = 1-4) molecules on pristine and group 8B transition metal-doped boron nitride nanocages (B12N12). The results showed that TM atoms had strong binding with B12N12, with Os displaying the strongest interaction. Furthermore, hydrogen molecules can be strongly adsorbed on TM-doped B12N12, particularly OsB11N12. The electronic properties of both pristine and TM-doped B12N12 were significantly changed, indicating potential applications in hydrogen storage and sensing.
STRUCTURAL CHEMISTRY
(2023)
Article
Electrochemistry
Mamta Sham Lal, Sundara Ramaprabhu
Summary: This study focuses on the development of a flexible electrode based on carbon cloth-carbon fiber-TiO2 (CC-CF-TiO2) and its electrochemical performance in various electrolytes. The highest areal capacitance of 270 mF cm(-2) was achieved in 1 M H2SO4 aqueous electrolyte, and a full-cell flexible supercapacitor with hydrogel polymer electrolyte demonstrated excellent energy and power densities.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2022)
Article
Nanoscience & Nanotechnology
Abhaya Prasada Mohapatra, J. Arout Chelvane, A. V. Morozkin, S. Ramaprabhu, R. Nirmala
Summary: Polycrystalline rare earth intermetallic compound Tb0.33Ho0.33Er0.33Ni has been synthesized and its crystal structure has been determined. The compound shows a paramagnetic to ferromagnetic transition at 59 K, which is close to the average value of the ferromagnetic transition temperatures of TbNi, HoNi and ErNi compounds. The magnetocaloric effect around the transition temperature has been calculated.
Article
Nanoscience & Nanotechnology
Sanjit Kumar Parida, Dipsikha Ganguly, Tulasi Barik, Rajendra Kumar Sharma, Sankarakumar Amirthapandian, Hrudananda Jena, Ramaprabhu Sundara
Summary: Designing platinum-group-metal-free (PGM-free) electrocatalysts with high activity and durability for the oxygen reduction reaction (ORR) in acidic environments is challenging. In this study, a Co-encapsulated nitrogen-doped carbon with nanofiber networks and its ionic liquid-modified interface showed efficient ORR activity in an acidic medium. The catalyst showed promising activity and durability comparable to Pt/C, with a half-wave potential of 0.71 V vs RHE and only 11 mV reduction in activity after 5000 cycles. It also retained 71% of its original current in a short-term durability test and exhibited superior performance among reported nonPGM catalysts.
ACS APPLIED NANO MATERIALS
(2023)
Article
Chemistry, Physical
Sandya Rani Mangishetti, M. Kamaraj, Ramaprabhu Sundara
Summary: A strategy for preparing electrode materials with high conductivity, high surface area, and hierarchical pore structure, along with nitrogen functional groups, to enhance the electrochemical performance of electrochemical capacitors is presented. The materials consist of partially unravelled carbon nanotubes interconnected to wrinkled few layered graphene nanosheets, serving as quick ion and charge transportation channels. The addition of nitrogen-doped porous carbon further improves the electrochemical performance, with enhanced pseudocapacitance and overall supercapacitive performance. The developed electrode material shows high specific capacitance and energy density, making it a promising candidate for supercapacitor applications.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Engineering, Electrical & Electronic
Vetrivel Sankar, Krishnan Balasubramaniam, Ramaprabhu Sundara
Summary: This article discusses the conversion of invasive alien plant species (IAPS) Prosopis juliflora leaves into valuable biomass carbon, which is important for sustainable material manufacturing and green electronics. The characteristics and implications of Prosopis juliflora biomass carbon (PJBMC) are studied in detail, and biomass carbon nanocomposites decorated with SnO2 nanoparticles are prepared for hazardous NO2 gas sensing applications.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2023)
Article
Chemistry, Multidisciplinary
Dipsikha Ganguly, Kothandaraman Ramanujam, Ramaprabhu Sundara
Summary: Researchers successfully synthesized Pt3Fe alloy using oxygen-deficient Fe2O3-ECNT for etched carbon nanotubes at low-temperature, and the resulting Pt3Fe-ECNT catalyst showed excellent electrocatalytic activity, better than commercial Pt/C catalyst.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Chemistry, Physical
Anamika Ghosh, T. K. Sana Fathima, Dipsikha Ganguly, Ramaprabhu Sundara
Summary: Researchers developed a simple method to utilize cobalt iron-based Prussian blue analogue with a nitrogen-doped carbon nanotube composite and nickel-encapsulated carbon tubules as catalysts for oxygen evolution reaction and hydrogen evolution reaction in seawater electrolysis. The catalysts were coated on graphite felt or carbon paper to avoid chlorine corrosion. The electrolyzer showed low voltage and good stability in seawater, with high selectivity for oxygen evolution reaction.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Electrochemistry
Arindam Chatterjee, Dipsikha Ganguly, Ramaprabhu Sundara, Subramshu S. Bhattacharya
Summary: Lithium-sulfur batteries (LSBs) are promising energy storage devices due to low-cost sulfur-based cathode and high energy density. However, the shuttle effect of lithium polysulfide (LiPS) and slow redox kinetics of lithium sulfide (Li2S) formation hinder their commercial viability. In this study, a transition metal-rare earth high entropy oxide (TM-RE HEO) was designed as a polysulfide adsorbent and catalyst for redox reactions in Li-S batteries. The TM-RE HEO demonstrated enhanced discharge capacity, high rate capability, and long-term cycling stability. This work highlights the potential of high entropy oxide in developing efficient LSB technology.
BATTERIES & SUPERCAPS
(2023)
Article
Electrochemistry
T. K. Sana Fathima, Sundara Ramaprabhu
Summary: In this study, a sensor based on a silver-silver oxide nanoparticles-decorated carbon nanotube-modified glassy carbon electrode was developed for antibody-free, nanomolar detection of 25-hydroxyvitamin D. The sensor showed high sensitivity and a low detection limit, making it suitable for detecting vitamin D deficiency.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2023)
Article
Energy & Fuels
A. R. Dhanya, Nisha Ranjan, Sundara Ramaprabhu
Summary: This study successfully synthesized an efficient hydrogen storage material, nitrogen-doped carbon nanotubes encapsulated with metal nanoparticles, which achieved high hydrogen adsorption under low temperature and high pressure. The presence of metal nanoparticles and the surface area and defects of carbon nanotubes are crucial factors for enhancing hydrogen storage capacity.
Article
Chemistry, Multidisciplinary
V. G. Abhijitha, Shashi B. Mishra, S. Ramaprabhu, B. R. K. Nanda
Summary: This study proposes a solution for the commercialization of aluminium ion batteries by using alpha-graphyne (alpha-GY) as the cathode host material. Alpha-GY exhibits the lowest volume expansion, high theoretical specific capacity, and lower activation barrier among the cathode materials studied. Although gamma-graphyne (gamma-GY) has a higher volume expansion, it still shows promising properties. The computational and simulation results demonstrate the stability, reversibility, and cyclic durability of alpha-GY with adsorbed AlCl4.
NANOSCALE ADVANCES
(2022)
Article
Chemistry, Multidisciplinary
Guruprasad S. Hegde, Ramaprabhu Sundara
Summary: A sodium superionic conductor, Na3Zr2Si2PO12 (NZSP) ceramic, has the potential to solve safety and energy density problems in sodium-based batteries. Researchers have developed a method to produce a thin and flexible polymer in ceramic type sodium ion conductor film and demonstrated its application in room temperature sodium-sulfur batteries.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Sana T. K. Fathima, Arshiya A. Banu, T. Devasena, Sundara Ramaprabhu
Summary: A sensitive electrochemical sensor for detecting 1,4-dioxane was developed by modifying a glassy carbon electrode with a reduced graphene oxide-curcumin nanocomposite. The sensor showed superior sensitivity with a lower detection limit compared to the target defined by the World Health Organization.
Article
Electrochemistry
Guruprasad S. Hegde, Ramaprabhu Sundara
Summary: Entropy stabilized oxides (ESO) are introduced as reaction promoters in positive electrodes to improve charge transport in Li-O-2 batteries. The presence of multiple cations and defects on the surface of ESO benefits the discharge product oxidation and enhances cyclic stability. The developed ESO shows potential for enhancing the rechargeability of Li-O-2 batteries.
BATTERIES & SUPERCAPS
(2022)
Article
Electrochemistry
Ananyo Roy, Vinayan Bhagavathi Parambath, Thomas Diemant, Gregor Neusser, Christine Kranz, R. Juergen Behm, Zhenyou Li, Zhirong Zhao-Karger, Maximilian Fichtner
Summary: In this study, the interaction between the magnesium (Mg) metal anode and chloride (Cl)-free electrolyte was investigated. The results showed the formation of a solid interphase layer, which played a crucial role in the reversible stripping and plating of Mg in a full-cell configuration. This study provides fundamental insights into the interfacial phenomena between Mg anode and Cl-free electrolyte.
BATTERIES & SUPERCAPS
(2022)
Article
Materials Science, Multidisciplinary
Y. Liu, K. Zweiacker, C. Liu, J. T. McKeown, J. M. K. Wiezorek
Summary: The evolution of rapid solidification microstructure and solidification interface velocity of hypereutectic Al-20at.%Cu alloy after laser melting has been studied experimentally. It was found that the formation of microstructure was dominated by eutectic, alpha-cell, and banded morphology grains, and the growth modes changed with increasing interface velocity.
Article
Materials Science, Multidisciplinary
Bharat Gwalani, Julian Escobar, Miao Song, Jonova Thomas, Joshua Silverstein, Andrew Chihpin Chuang, Dileep Singh, Michael P. Brady, Yukinori Yamamoto, Thomas R. Watkins, Arun Devaraj
Summary: Castable alumina forming austenitic alloys exhibit superior creep life and oxidation resistance at high temperatures. This study reveals the mechanism behind the enhanced creep performance of these alloys by suppressing primary carbide formation and offers a promising alloy design strategy for high-temperature applications.
Article
Materials Science, Multidisciplinary
Jian Song, Qi Zhang, Songsong Yao, Kunming Yang, Houyu Ma, Jiamiao Ni, Boan Zhong, Yue Liu, Jian Wang, Tongxiang Fan
Summary: Recent studies have shown that achieving an atomically flat surface for metals can greatly improve their oxidation resistance and enhance their electronic-optical applications. Researchers have explored the use of graphene as a covering layer to achieve atomically flat surfaces. They found that high-temperature deposited graphene on copper surfaces formed mono-atomic steps, while annealed copper and transferred graphene on copper interfaces formed multi-atomic steps.
Article
Materials Science, Multidisciplinary
Jennifer A. Glerum, Jon-Erik Mogonye, David C. Dunand
Summary: Elemental powders of Al, Ti, Sc, and Zr are blended and processed via laser powder-bed fusion to create binary and ternary alloys. The microstructural analysis and mechanical testing show that the addition of Ti results in the formation of primary precipitates, while the addition of Sc and Zr leads to the formation of fine grain bands. The Al-0.25Ti-0.25Zr alloy exhibits comparable strain rates to Al-0.5Zr at low stresses, but significantly higher strain rates at higher stresses during compressive creep testing. Finite element modeling suggests that the connectivity of coarse and fine grain regions is a critical factor affecting the creep resistance of the alloys.
Article
Materials Science, Multidisciplinary
P. Jannotti, B. C. Hornbuckle, J. T. Lloyd, N. Lorenzo, M. Aniska, T. L. Luckenbaugh, A. J. Roberts, A. Giri, K. A. Darling
Summary: This work characterizes the thermo-mechanical behavior of bulk nanocrystalline Cu-Ta alloys under extreme conditions. The experiments reveal that the alloys exhibit unique mechanical properties, behaving differently from conventional nanocrystalline Cu. They do not undergo grain coarsening during extrusion and exhibit behavior similar to coarse-grained Cu.
Article
Materials Science, Multidisciplinary
Yiqing Wei, Jingwei Li, Daliang Zhang, Bin Zhang, Zizhen Zhou, Guang Han, Guoyu Wang, Carmelo Prestipino, Pierric Lemoine, Emmanuel Guilmeau, Xu Lu, Xiaoyuan Zhou
Summary: This study proposes a new strategy to modify microstructure by phase regulation, which can simultaneously enhance carrier mobility and reduce lattice thermal conductivity. The addition of Cu in layered SnSe2 induces a phase transition that leads to increased grain size and reduced stacking fault density, resulting in improved carrier mobility and lower lattice thermal conductivity.
Article
Materials Science, Multidisciplinary
Jia Chen, Zhengyu Zhang, Eitan Hershkovitz, Jonathan Poplawsky, Raja Shekar Bhupal Dandu, Chang-Yu Hung, Wenbo Wang, Yi Yao, Lin Li, Hongliang Xin, Honggyu Kim, Wenjun Cai
Summary: In this study, the structural origin of the pH-dependent repassivation mechanisms in multi-principal element alloys (MPEA) was investigated using surface characterization and computational simulations. It was found that selective oxidation in acidic to neutral solutions leads to enhanced nickel enrichment on the surface, resulting in reduced repassivation capability and corrosion resistance.
Article
Materials Science, Multidisciplinary
X. Y. Xu, C. P. Huang, H. Y. Wang, Y. Z. Li, M. X. Huang
Summary: The limited slip systems of magnesium (Mg) and its alloys hinder their wide applications. By conducting tensile straining experiments, researchers discovered a rate-dependent transition in the dislocation mechanisms of Mg alloys. At high strain rates, glissile dislocations dominate, while easy-glide dislocations dominate at low strain rates. Abundant glissile dislocations do not necessarily improve ductility.
Article
Materials Science, Multidisciplinary
M. S. Szczerba, M. J. Szczerba
Summary: Inverse temperature dependences of the detwinning stress were observed in face-centered cubic deformation twins in Cu-8at.%Al alloy. The detwinning stress increased with temperature when the pi detwinning mode was involved, but decreased when the pi/3 mode was involved. The dual effect of temperature on the detwinning stress was due to the reduction of internal stresses pre-existing within the deformation twins. The complete reduction of internal stresses at about 530 degrees C led to the equivalence of the critical stresses of different detwinning modes and a decrease in the yield stress anisotropy of the twin/matrix structure.
Article
Materials Science, Multidisciplinary
Taowen Dong, Tingting Qin, Wei Zhang, Yaowen Zhang, Zhuoran Feng, Yuxiang Gao, Zhongyu Pan, Zixiang Xia, Yan Wang, Chunming Yang, Peng Wang, Weitao Zheng
Summary: The interaction between the electrode and the electric double layer (EDL) significantly influences the energy storage mechanism. By studying the popular alpha-Fe2O3 electrode and the EDL interaction, we find that the energy storage mechanism of the electrode can be controlled by modulating the EDL.
Article
Materials Science, Multidisciplinary
Matthew R. Barnett, Jun Wang, Sitarama R. Kada, Alban de Vaucorbeil, Andrew Stevenson, Marc Fivel, Peter A. Lynch
Summary: The elastic-plastic transition in magnesium alloy Mg-4.5Zn exhibits bursts of deformation, which are characterized by sudden changes in grain orientation. These bursts occur in a coordinated manner among nearby grains, with the highest burst rate observed at the onset of full plasticity. The most significant burst events are associated with twinning, supported by the observation of twinned structures using electron microscopy. The bursts are often preceded and followed by a stasis in peak movement, indicating a certain "birth size" for twins upon formation and subsequent growth at a later stage.
Article
Materials Science, Multidisciplinary
Vaidehi Menon, Sambit Das, Vikram Gavini, Liang Qi
Summary: Understanding solute segregation thermodynamics is crucial for investigating grain boundary properties. The spectral approach and thermodynamic integration methods can be used to predict solute segregation behavior at grain boundaries and compare with experimental observations, thus aiding in alloy design and performance control.
Article
Materials Science, Multidisciplinary
Feiyu Qin, Lei Hu, Yingcai Zhu, Yuki Sakai, Shogo Kawaguchi, Akihiko Machida, Tetsu Watanuki, Yue-Wen Fang, Jun Sun, Xiangdong Ding, Masaki Azuma
Summary: This study reports on the negative and zero thermal expansion properties of Cd2Re2O7 and Cd1.95Ni0.05Re2O7 materials, along with their ultra-low thermal conductivity. Through investigations of their structures and phonon calculations, the synergistic effect of local structure distortion and soft phonons is revealed as the key to achieving these distinctive properties.
Article
Materials Science, Multidisciplinary
Thomas Beerli, Christian C. Roth, Dirk Mohr
Summary: A novel testing system for miniature specimens is designed to characterize the plastic response of materials for which conventional full-size specimens cannot be extracted. The system has an automated operation process, which reduces the damage to specimens caused by manual handling and improves the stability of the test results. The experiments show that the miniature specimens extracted from stainless steel and aluminum have high reproducibility, and the results are consistent with those of conventional-sized specimens. A correction procedure is provided to consider the influence of surface roughness and heat-affected zone caused by wire EDM.
Article
Materials Science, Multidisciplinary
Rani Mary Joy, Paulius Pobedinskas, Nina Baule, Shengyuan Bai, Daen Jannis, Nicolas Gauquelin, Marie-Amandine Pinault-Thaury, Francois Jomard, Kamatchi Jothiramalingam Sankaran, Rozita Rouzbahani, Fernando Lloret, Derese Desta, Jan D'Haen, Johan Verbeeck, Michael Frank Becker, Ken Haenen
Summary: This study investigates the influence of film microstructure and composition on the Young's modulus and residual stress in nanocrystalline diamond thin films. The results provide insights into the mechanical properties and intrinsic stress sources of these films, and demonstrate the potential for producing high-quality nanocrystalline diamond films under certain conditions.