Magnetic competition with different spin chiralities in kagome magnetsMai, Tran Thi Thanh; Son, Nguyen Hong; Tien, Tran Minh
doi: 10.1088/1742-6596/2269/1/012006pmid: N/A
Using the Bogoliubov variational method we study the magnetic competition in a minimal model proposed for kagome magnets. The minimal model consists of itinerant electrons with their spin-orbit coupling and localized electrons with their anisotropic spin exchange. A spin exchange between localized and itinerant electrons is also included into the model, and it is anisotropic. At half filling and in the region of stable in-plane antiferromagnetism, a magnetic competition between antiferromagnetic phases with different spin chiralities is found. Depending on the sign of the hopping integral and the spin-orbit coupling, either the 1 × 1 or 3×3in-plane antiferromagnetism is established. These in-plane antiferromagnetic states are characterized by distinguishable spin chiralities.
Numerical calculation of the dependence of chemical potential on temperature for ideal quantum gases in 1,2 and 3-dimensional spacesLe, Hieu B; Nguyen, Uyen T; Ngoc, Giau N; Tran, Hieu V; Le, Khang M; Pham, Vinh N T
doi: 10.1088/1742-6596/2269/1/012009pmid: N/A
In this study, we use the Gauss–Kronrod quadrature rule with Brent’s method to numerically calculate the chemical potentials of ideal quantum gases in 1, 2, and 3-dimensional spaces as functions of absolute temperature. Our numerical results are validated by the analytical formulae in [Cowan, B. 2019, Journal of Low Temperature Physics, 197 (5-6), 412-44]. In vice versa, we can evaluate the applicability of these proposed formulae in low- and high-temperature regimes. The results in this work are initiated for the ongoing project to analytical and numerical calculations of other thermodynamic quantities of ideal quantum gases in 1, 2, and 3-dimensional spaces such as energy, heat capacity, and entropy.
Computer simulation of the glassy network structure of B2O3-2SiO2 and Al2O3-2SiO2 systemsLan, Mai Thi; Hong, Nguyen Van
doi: 10.1088/1742-6596/2269/1/012010pmid: N/A
The network structure of B2O3-2SiO2 and Al2O3-2SiO2 systems (abbreviated as BS2 and AS2, respectively) in the liquid state is investigated by molecular dynamics simulation. For the BS2 system, most of the basic structural units are BO3 and SiO4. The number of BO4 and SíOb is very small. Most of the tetrahedral SiO4 and trigonal BO3 networks link to each other via mainly the corner-sharing bonds to form -Si-O-Si- and -Si-O-B- linkages. For the AS2 system, most of basic structural units are tetrahedral TO4 (T=Al, Si) and trigonal AlO3. The number of TO5 is negligible. The basic structural units link to each other through mainly the corner-sharing bonds to form -Si-O-Si- and -Si-O-Al- linkages. The topology of basic structural units is investigated via the bond angle and length distribution. The addition of Al2O3 or B2O3 into silica results in the change of the -Si-O- network structure. The cation B3+ or Al3+ tend to replace the Si4+ in the tetrahedra SiO4 to form negative charge units [BO4]- and [AlO4]-, respectively. The concentration of negative charge units in the network structure of AS2 and BS2 is different. The network structure is studied through linkages T-O-T (T = Si, B, Al) and the number of types of linkages. Especially, the structural heterogeneity is also presented and discussed in detail. The structural heterogeneity in BS2 and AS2 liquids is due to the coexistence of two BO3 and SiO4 structural phases in BS2 and three SiO4, AlO4 and AlO3 structural phases in AS2 liquids.
Charged excitons or trions in 2D parabolic quantum dots?Quang, Nguyen Hong; Huong, Nguyen Que
doi: 10.1088/1742-6596/2269/1/012005pmid: N/A
So far in the literature the terms “charged exciton” and “trion” are often confused with each other and mostly considered as the same. In this work we show this is not the case in 2D quantum dots with a parabolic confinement. By using the unrestricted Hartree-Fock method the energy and binding energy of both charged excitons and trions in 2D parabolic quantum dots are calculated in dependence on the confinements of charge carriers in quantum dot. It is shown that the binding energies of the charged exciton and the trion behave differently in regard to the ratios of the confinements between the electron and hole. The effect of the external magnetic field on the binding energies of charged excitons has been also considered.
Investigation of Allopurinol binding mechanism to allele HLA-A*33:03 by using Molecular Dynamics simulationPham, Oanh P.; Lai, Hien T.T.; Tran, Duong B.; Le, Linh T. P.; Nguyen, Anh Thi Van; Nguyen, Hang Thi Thu; Nguyen, Toan T.
doi: 10.1088/1742-6596/2269/1/012011pmid: N/A
Allopurinol (ALP), a xanthine oxidase inhibitor, is an FDA-approved urate-lowering medication used to treat Gout, prevent tumor lysis syndrome, and prevent recurrent calcium nephrolithiasis in hyperuricosuria patients. However, it has been known as a common cause of severe cutaneous adverse drug reactions (SCAR) including Stevens-Johnson syndrome (SJS) and toxic epidermal necrolysis (TEN), hypersensitivity syndrome/drug reaction with eosinophilia and systemic symptoms (HSS/DRESS), especially in patients carrying the Human Leukocyte Antigens allele HLA-B*58:01, which is more prevalent in Asian population. However, although patients do not carry the HLA-B*58:01 allele, they still exhibit allopurinol-induced SCAR. Surprisingly, a large number of these patients have the HLA-A*33:03 allele. In this research, we investigated the binding of ALP to the HLA-A*33:03 structure using Molecular Dynamics (MD) simulation. Our results showed that the complex of HLA-A*33:03 and ALP was stable after 100000 ps simulation time. ALP had strong interactions with three important residues locating in the active site of HLA-A*33:03, which include the seven amino acid residues Val 76, Asp 77, Leu 81, Ile 95, Gln 96, Asp 116, and Tyr 123. This data suggests that ALP has strong binding affinity for this allele. Thus, in addition to HLA-B*58:01, HLA-A*33:03 may be a potential screening marker before prescribing Allopurinol for Gout treatment.
Sum squeezing, entanglement and quantum teleportation of the superposition of photon-added pair coherent stateChuong, Ho Sy; Duc, Truong Minh
doi: 10.1088/1742-6596/2269/1/012003pmid: N/A
In this paper, we study some non-classical properties of the superposition of photon-added pair coherent state (SPAPCS) such as two-mode sum squeezing and entanglement. The obtained results show that this state has two-mode sum squeezing behavior but the pair coherent state does not. The degree of squeezing of the SPAPCS is enhanced as more and more photons are added to the two modes of the original pair coherent state. Besides, this state is an entangled state and the entanglement degree can be enhanced by adding photons to both modes of the state. When using the SPAPCS as an entangled resource for a coherent state quantum teleportation, it is shown that the quantum teleportation process is successful and the average fidelity of the process can be higher than that of the case where the original pair coherent state is used if the parameters are selected appropriately.
Evaluation of Colchicine’s interaction with the ATP-binding region of mice NLRP3-NACHT domain using molecular docking and dynamics simulationLai, Hien T. T.; Do, Ha M.; Nguyen, Toan T.
doi: 10.1088/1742-6596/2269/1/012012pmid: N/A
Since the discovery of the role of NLRP3 in microbial infection in 2001, many studies have shown that NLRP3 play a key role in causing many mammal acute and chronic diseases. However, a full understanding of the mechanism of NLRP3 activation is still lacking. Our previous theoretical work and experimental evidence show the role of ATP in interacting with and activating the NATCH region of NLRP3. In this study, we continue to use bioinformatics and molecular dynamic (MD) simulation to evaluate the competitive impact of the interaction the ligand ATP and colchicine (COL) with this NACHT protein. The later ligand is a medication to treat gout attacks. Our results show that COL bind stably to the ATP binding pocket of mice NACHT domain with high numbers of hydrophobic and van der Waals interactions, while hydrogen bond and electrostatic interactions are important types of contact for keeping ATP at its NACHT pocket. Our results assist in building in-silico screening model for natural compounds with pharmacological effects to NLRP3 similar to colchicine with few side effects. In addition, this work helps to better understand the balance between this inflammasome activation and inhibition, which will help in the improvement and development of new therapies for related diseases.
Prefacedoi: 10.1088/1742-6596/2269/1/011001pmid: N/A
The 46th Vietnam Conference on Theoretical Physics (VCTP-46) was held during 4-6 October 2021 in Ha Noi, Viet Nam.The VCTP-46 was organized by the Institute of Physics, Vietnam Academy of Science and Technology (VAST) under the auspices of the Vietnamese Theoretical Physics Society (VTPS).The VCTP, formerly known as NCTP, has been an annual activity of VTPS for 46 years since 1976. The VCTP is aimed to be an international conference for physicists in Vietnam, in the region and worldwide. Our mission is to foster scientific exchanges and to promote a high-standard level of research and education in Vietnam and in South East Asia.Organizer, Sponsor, Honorary Chair, Chair, Organizing Committee, Program Committee, Secretariat, List of Participants are available in the pdf
Peer Review Statementdoi: 10.1088/1742-6596/2269/1/011002pmid: N/A
All papers published in this volume have been reviewed through processes administered by the Editors. Reviews were conducted by expert referees to the professional and scientific standards expected of a proceedings journal published by IOP Publishing.• Type of peer review: Single Anonymous• Conference submission management system: Morressier• Number of submissions received: 18• Number of submissions sent for review: 17• Number of submissions accepted: 12• Acceptance Rate (Submissions Accepted / Submissions Received × 100): 66.7• Average number of reviews per paper: 1.25• Total number of reviewers involved: 18• Contact person for queries:Name: Trinh Xuan HoangEmail: [email protected]: Institute of Physics, Vietnam Academy of Science and Technology