Article
Chemistry, Physical
Andrei Makarov, Gennadii Afonin, Konstantin Zakharov, Alexander Vasiliev, Jichao Qiao, Nikolai Kobelev, Vitaly Khonik
Summary: Experimental results show the existence of a boson heat capacity peak located near 7 K in high entropy bulk metallic glass, with the height decreasing upon preannealing. The study demonstrates that the height of the boson peak increases linearly with excess entropy and concentration of interstitial-type defects, attributing this to the high entropy state of the glass under investigation.
Article
Multidisciplinary Sciences
Florian Spieckermann, Daniel Sopu, Viktor Soprunyuk, Michael B. Kerber, Jozef Bednarcik, Alexander Schokel, Amir Rezvan, Sergey Ketov, Baran Sarac, Erhard Schafler, Juergen Eckert
Summary: In-situ X-ray diffraction is used to study structural rearrangements during annealing processes in Cu44Zr-44Al8Hf2Co2 bulk metallic glass. The deformation-induced rejuvenation reveals a structural footprint that can be correlated to calorimetric signals, showing characteristics of a first-order transition for the beta-transition. Dynamic mechanical analysis data indicates that non-reversible structural rearrangements are preferentially activated during the beta-transition, while reversible deformations dominate the low-temperature alpha-transition with second-order characteristics.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Physical
N. P. Kobelev, J. C. Qiao, A. S. Makarov, A. M. Glezer, V. A. Khonik
Summary: The study reports measurements of internal friction and shear modulus of glassy Cu49Hf42Al9 at different frequencies and temperatures. It is found that the relaxation of internal friction and shear modulus decreases with increasing frequency in the investigated range. A new method for determining the Gibbs activation energy of relaxation is derived, and the underlying activation energy spectrum is found to smoothly increase with accessible activation energies in the experiment.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Multidisciplinary
Zakiya Shireen, Elnaz Hajizadeh, Peter Daivis, Christian Brandl
Summary: A quantitative understanding and prediction of the viscoelastic relaxation behavior of polymer melts is required for practical design of viscoelastic materials. This study applies the Green-Kubo method to compute the relaxation moduli of a polymeric material and investigates their temperature and molecular weight dependence. The results provide new rheological data for the material and demonstrate the consistency between shear and bulk relaxation moduli.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Xianzhe Zhong, Qingming Zhang, Mingzhen Ma, Jing Xie, Mingze Wu, Yongming Yan, Siyuan Ren, Bowen Liu
Summary: Five novel Ti-and TiZr-based high entropy bulk metallic glasses (HE-BMGs) with good glass forming ability (GFA) were developed, and one of them showed the largest critical diameter of 9 mm. All the developed HE-BMGs exhibited high yield strength and good compressive plasticity at room temperature. One specific alloy showed great potential in the aerospace sector due to its suitable density and high specific strength.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Materials Science, Multidisciplinary
S. V. Vasiliev, K. A. Svyrydova, N. V. Vasylyeva, V. I. Tkatch
Summary: The non-isothermal crystallization kinetics of Fe48Co32P14B6 glass were experimentally studied using differential scanning calorimetry (DSC) with heating rates ranging from 5 to 40 K/min. A kinetic model combining the Kolmogorov's model and the Kashchiev's transient nucleation approach was derived to describe the interface-controlled mode of crystallization. The experimental DSC scans were accurately approximated using thermodynamic and kinetic parameters derived from analysis of the isothermal crystallization, and the effect of non-stationarity on the thermal stability of metallic glasses was discussed.
Article
Materials Science, Multidisciplinary
Fahimeh Farahani, Zahra Jamili Shirvan, Pan Gong
Summary: The non-isothermal crystallization kinetics of (Zr55Cu30Al10Ni5)99Nb1 bulk metallic glass (BMG) was investigated using differential thermal analysis and differential scanning calorimetry. The heating rate was found to have an effect on the crystallization pathway. The apparent activation energy at characteristic temperatures was determined using the Kissinger method, while the local activation energy variations with crystallized volume fraction (α) were obtained using the Ozawa-Flynn-Wall method. The crystallization reaction function (f(α)) at different heating rates was analyzed using the S ˇest & PRIME;ak-Berggren model.
Article
Materials Science, Ceramics
Zerong Yang, Raschid Al-Mukadam, Moritz Stolpe, Matthias Markl, Joachim Deubener, Carolin Koerner
Summary: This study systematically investigates the isothermal crystallization kinetics of an industrial-grade Zr-based BMG, revealing the mechanisms and modeling compatibility, while also determining the interfacial energies and studying the effects of crystallization fraction on Avrami index and activation energy.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2021)
Article
Nanoscience & Nanotechnology
Snigdha S. Jagarlapudi, Heaven S. Cross, Tridip Das, William A. Goddard
Summary: Environmental and toxicity concerns necessitate the replacement of DEHP plasticizer with potential alternatives such as DHS, DEA, 1,4-BDB, and DBS for PVC. The comparison of their tensile, mechanical, and diffusional properties is crucial in determining their competitiveness. This study predicts the effects of these plasticizers on various properties of PVC, and concludes that DBS and DHS show promising potential as green plasticizers for PVC.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Tina Hecksher, Niels Boye Olsen, Jeppe C. Dyre
Summary: Dynamic shear modulus data of two silicone oils, DC704 and DC705, were obtained and fitted using a phenomenological model. The model's alpha part was found to best fit the data, reinforcing the hypothesis of the proportionality between alpha relaxation and high-frequency loss decay with angular frequency.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Hongbo Zhou, Vitaly Khonik, Gerhard Wilde
Summary: Pd40Ni40P20 (at.%) samples with different enthalpy states were fabricated through high-pressure torsion or sub-T-g annealing. The structural relaxation was studied using in-situ shear modulus measurements and modulated differential scanning calorimetry. It was found that high-pressure torsion leads to shear modulus softening and structural rejuvenation, while sub-T-g annealing causes shear modulus hardening and structural relaxation.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2022)
Article
Thermodynamics
Akihiko Toda
Summary: The kinetics of enthalpy relaxation in glass-state atactic polystyrene is investigated using temperature-modulated fast scanning calorimetry. The results show that the relaxation time in the nonequilibrium glass state depends on the actual temperature and the nonequilibrium structure indexed by the fictive temperature. The changes in dynamic heat capacity indicate the influence of the nonequilibrium structure, which can be expressed as an effective temperature.
THERMOCHIMICA ACTA
(2023)
Article
Chemistry, Physical
Alireza Jalali, Mehdi Malekan, Eun Soo Park, Reza Rashidi, Ahmad Bahmani, Geun Hee Yoo
Summary: A new non-equiatomic high entropy bulk metallic glass (HEBMG) was developed in this study based on the Cu47Zr47Al6 prototype BMG. Kinetic studies were performed comparing the thermal properties of the BMG and HEBMG, showing differences in activation energies and structural relaxation enthalpy. Compression tests confirmed a 58% improvement in plastic strain for the HEBMG compared to the BMG.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Physical
C. Chang, H. P. Zhang, R. Zhao, F. C. Li, P. Luo, M. Z. Li, H. Y. Bai
Summary: This paper introduces the current status of research on the microscopic structure and dynamic picture of glasses, and discusses a new fast relaxation process. The study found that this fast relaxation is related to the string-like diffusion of liquid-like atoms.
Article
Multidisciplinary Sciences
Weijian Zhang, Pingjun Tao, Yugan Chen, Junfeng Si, Zhenghua Huang, Kunsen Zhu, Yuanzheng Yang
Summary: Zr55.7Cu22.4Ni7.2Al14.7 alloy bars were prepared by copper mold suction casting. The specimens exhibited an amorphous structure. The crystallization incubation times decreased and the crystallization transformation rates increased with temperature rise. The crystallization nucleation rate showed a trend of first increasing and subsequently decreasing as the crystallization volume fraction increased, while the activation energy decreased monotonously. The crystallization behavior transformed from interface-controlled to diffusion-controlled growth.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Physical
Maria Markina, Tatyana Vasilchikova, Elena Kuznetsova, Peter Berdonosov, Andrey Olenev, Seung Hwan Chung, Hyun-Joo Koo, Myung-Hwan Whangbo, Alexander Vasiliev
Summary: We synthesized and characterized the solid solutions Cu3Bi(Se(1-x)TexO(3))(2)O2Br (x = 0, 0.25, 0.5, 0.75, 1) for the first time. The interlayer antiferromagnetic (AFM) coupling in francisites was found to be due to interlayer high-spin orbital interaction across the van der Waals (vdW) gaps rather than interlayer spin exchange. We proposed a method to modify francisites to create oxide vdW ferromagnets.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Maxim A. Blagov, Nataliya G. Spitsyna, Nikolai S. Ovanesyan, Anatolii S. Lobach, Leokadiya V. Zorina, Sergey V. Simonov, Konstantin V. Zakharov, Alexander N. Vasiliev
Summary: A new iron(III) anionic complex based on a pyruvic acid thiosemicarbazone ligand has been synthesized and characterized. The compound exhibits a spin-crossover transition from the low-spin to the high-spin state above 250 K. It was also found that the lithium cation has an influence on the stabilization of the low-spin state.
DALTON TRANSACTIONS
(2023)
Article
Physics, Applied
Y. A. Ovchenkov, D. A. Chareev, D. E. Presnov, O. S. Volkova, A. N. Vasiliev
Summary: In this study, the transport properties of FeSe1-xTex and pure FeSe crystals were compared. The results showed significant differences in structural transitions and temperature dependence between the two, suggesting a change in the ground state and the presence of quantum criticality. Furthermore, the phase diagram of FeSe1-xTex at low x resembled that of FeSe under pressure.
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM
(2023)
Article
Chemistry, Physical
Alisher F. Murtazoev, Konstantin A. Lyssenko, Maria M. Markina, Valery A. Dolgikh, Alexander N. Vasiliev, Peter S. Berdonosov
Summary: A new family of compounds with the formula ACu(7)TeO(4)(SO4)(5)Cl (A=Na, K, Rb, Cs) isostructural to mineral Nabokoite (K species) was synthesized and characterized. These compounds exhibit interesting properties as quasi-two-dimensional magnets with a square kagome lattice geometry. The presence of wavy and distorted triangles in the lattice, along with additional magnetic ions, adds complexity to the magnetism of these compounds. The interaction of the magnetic ions through virtual excitations of the lattice leads to the coexistence of long-range magnetic order and spin liquid behavior.
Correction
Chemistry, Multidisciplinary
Dmitriy A. A. Chareev, Md Ezaz Hasan Khan, Debjani Karmakar, Aleksey N. N. Nekrasov, Maximilian S. S. Nickolsky, Olle Eriksson, Anna Delin, Alexander N. N. Vasiliev, Mahmoud Abdel-Hafiez
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Dmitriy A. Chareev, Md Ezaz Hasan Khan, Debjani Karmakar, Aleksey N. Nekrasov, Maximilian S. Nickolsky, Olle Eriksson, Anna Delin, Alexander N. Vasiliev, Mahmoud Abdel-Hafiez
Summary: Transition metal dichalcogenides (TMDs) are a class of low-dimensional materials with growing applications in nanoelectronics. This study presents an efficient synthetic route for a large number of TMDs using sulfuric vapor transport and liquid sulfur. The obtained single crystals exhibit high-quality physical and electronic properties, making them suitable for emerging electronic devices.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Marwa H. A. Aouelela, Mohamed Taha, Samaa I. El-dek, Abdelwahab Hassan, Alexander N. Vasiliev, Mahmoud Abdel-Hafiez
Summary: During the past decade, two-dimensional layered materials have attracted much attention due to their unique physical and electronic properties, providing new opportunities for the exploration of novel physics and devices. Among these materials, iron selenide has become a focus of interest for physicists as a potential platform for developing new superconductors. Chemical doping is a powerful approach to manipulate and optimize the electronic structure and physical properties of materials. This study investigates the effects of molybdenum and sulfur doping on the physical properties of FeSe through complementary measurements and theoretical calculations, offering insights into the influence of doping on the superconducting properties of FeSe.
Article
Chemistry, Inorganic & Nuclear
A. F. Murtazoev, P. S. Berdonosov, K. A. Lyssenko, V. A. Dolgikh, M. Y. Geidorf, O. S. Volkova, H. -J Koo, M. -H Whangbo, A. N. Vasiliev
Summary: We synthesized a new compound, Co-3(SeO3)(SeO4)(OH)(2), with a kagome-like arrangement of Co2+ ions. The compound exhibits three successive magnetic transitions at low temperatures and a 1/3-magnetization plateau. The magnetic phase diagram shows three magnetic phases, with phase I being antiferromagnetic and phases II and III being responsible for the 1/3-magnetization plateau. To understand these magnetic properties, spin-polarized DFT+U calculations were performed to evaluate the spin exchanges in the compound.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Alisher F. Murtazoev, Peter S. Berdonosov, Konstantin A. Lyssenko, Valery A. Dolgikh, Zlata V. Pchelkina, Konstantin V. Zakharov, Michael Y. Geidorf, Tatyana M. Vasilchikova, Olga S. Volkova, Alexander N. Vasiliev
Summary: Anhydrous copper tellurite sulfate, Cu3TeO3(SO4)(2), was synthesized via vapor transport reactions in sealed silica glass ampoules. Various measurements revealed long-range antiferromagnetic order at T-N = 13 K and established an H-T magnetic phase diagram. Density functional theory calculations provided estimations of leading exchange interaction parameters.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Roman V. Bazhan, Vladimir B. Nalbandyan, Tatyana M. Vasilchikova, Hyun-Joo Koo, Myung-Hwan Whangbo, Alexander N. Vasiliev
Summary: The missing member of the rosiaite family, CoGeTeO6, was synthesized and characterized. It exhibits short- and long-range magnetic ordering at different temperatures and its magnetic structure consists of three-dimensional antiferromagnetic lattices. The experimental and computational results show good agreement under different ion treatments.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Aleksandr Sh. Samarin, Ivan A. Trussov, Zlata V. Pchelkina, Stanislav S. Fedotov, Yevgeniy A. Ovchenkov, Sergei V. Zhurenko, Alexei V. Tkachev, Andrei A. Gippius, Larisa V. Shvanskaya, Alexander N. Vasiliev
Summary: A novel vanadium hydroxide-phosphate, NH4VPO4OH, has been synthesized hydrothermally at 230 degrees C. The compound shows a rare case of Haldane spin system with spin S=1 based on V3+ ions.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Inorganic & Nuclear
A. A. Vorobyova, K. A. Lyssenko, G. D. Chistyakov, I. V. Morozov, Y. A. Ovchenkov, T. M. Vasilchikova, H. -J. Koo, M. -H. Whangbo, O. S. Volkova, A. N. Vasiliev
Summary: This study reports the structure, magnetic and thermal properties of PyH)CsCo2(NO3)(6) crystals obtained from a nitric acid solution. The results reveal that the crystal exhibits long-range canted antiferromagnetic ordering and possesses easy-axis magnetic anisotropy.
DALTON TRANSACTIONS
(2023)
Article
Nanoscience & Nanotechnology
A. S. Makarov, G. V. Afonin, R. A. Konchakov, V. A. Khonik, J. C. Qiao, A. N. Vasiliev, N. P. Kobelev
Summary: By introducing a dimensionless order parameter 4, the structural order of glass can be estimated, and this parameter shows a strong correlation with the glass-forming ability.
SCRIPTA MATERIALIA
(2024)
Article
Chemistry, Physical
A. S. Makarov, R. A. Konchakov, J. C. Qiao, A. N. Vasiliev, N. P. Kobelev, V. A. Khonik
Summary: This study investigates the relationship between defect concentration and the structure factor of glasses based on shear modulus measurements and molecular dynamics simulation. The results show that defect-induced disordering is independent of glass thermal prehistory above the glass transition temperature, while significant differences exist between initial and relaxed samples below the transition temperature.
Article
Chemistry, Inorganic & Nuclear
A. N. Vasiliev, P. S. Berdonosov, E. S. Kozlyakova, O. Maximova, A. F. Murtazoev, V. A. Dolgikh, K. A. Lyssenko, Z. Pchelkina, D. Gorbunov, S. H. Chung, H-J Koo, M-H Whangbo
Summary: Pb2Cu10O4(SeO3)(4)Cl-7 is a mixed-valence compound with a complex structure, consisting of nonmagnetic and magnetic copper ions. It exhibits antiferromagnetic ordering at low temperatures and a sequence of spin-flop transition and magnetization plateau formation. The magnetic properties of this compound can be described by the arrangement of copper clusters, and the 1/3 magnetization plateau is caused by the field-induced flip of the copper clusters within the unit cell.
DALTON TRANSACTIONS
(2022)
