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langmuir-Schaefer Film Investigation and Density Functional Theory Band Gap Calculations of Calix[n]arene-Para-Am.nobenzoic Acid for Drug nanosensor Application

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Journal of Wuhan University of Technology(materials Science) 2024年第5期39卷 1311-1318页

作者： WOnG Yeong Yi F l Supian A Radzwan m musa n F n Abd Karim Departm.nt of Physics Sultan Idris Education UniversityTanjong Malim 35900Malaysia Departm.nt of Chemistry Sultan Idris Education UniversityTanjong Malim 35900Malaysia

Calix[n]arenes was utilized to detect PABA,the primary sunscreen *** study investigates the interaction of calix[4]arene(C4),calix[6]arene(C6),and PABA using the langmuir method and first-principle density functional theory(DFT).Using the langmuir-Schaefer(lS)technique,an ultrathin film composed of calix[n]arenes and their complexes with PABA was deposited on various *** on the langmuir study,the PABA molecule was bonded to the lower rims of both C4 and C6 with the host-guest ratio of 1:*** of the lS films formed were then characterized by ultravioletvisible spectroscopy(UV-Vis),Fourier-transform infrared spectroscopy(FTIR)and carbon,hydrogen,nitrogen,sulfur elem.ntal analyzer(CHnS).The band gap reduction obtained in the DFT study denotes the charge transfer interaction with promising reactivity between the calix[n]arenes and *** sensing of PABA by C4 and C6 is successful based on the formation of bonding between them due to the hosts’effective trapping *** outcomes of this study could be applied to drug delivery systems for future pharmaceutical and medical applications.

关键词： calix[n]arenes band gap density functional theory langmuir-Schaefer PABA sensor

Empirical model for fusion cross sections of Ca-induced reactions

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Chinese Physics C 2024年第3期48卷 126-132页

作者： Reddi Rani.l n.Sowmya K.n Sridhar H C.m.njunatha m.m.Armstrong Arasu Departm.nt of Physics St.Joseph's College(Autonomous)Affiliated to Bharathidasan UniversityTiruchirappalli620002TNIndia Departm.nt of Physics Govt.First.Grade CollegeChikkaballapur-562101KarnatakaIndia Departm.nt of Physics Govt.First.Grade CollegeMalur-563160KarnatakaIndia Departm.nt of Physics Govt.First.Grade CollegeDevanahalli-562110KarnatakaIndia

A new empirical formula for the astrophysical S-factor has been suggested as a function of the Coulomb interaction parameter,center of mass energy,and barrier *** 22 fusion reactions with ^(40,48)Ca as projectiles were considered for different targets,leading to compound nuclei with atomic and mass numbers varying between 40≤Z≤≤Z≤112 and 88≤A≤27888≤A≤278,*** fusion cross-sections have been estimated using the geometric factor,the Gamow-Sommerfield factor,and the empirical formula for the *** study's findings showed better agreem.nt with those of available experim.nts when compared to Wong's *** present work leads to a smaller standard deviation value than Wong's formula when used to correlate the experim.ntal data of calcium-induced fusion ***'s formula provides a good approximation of fusion cross-sections when the center of mass energy is below the fusion barrier when compared to above the fusion barrier.

关键词： fusion cross-sections Wong formula Gamow-Sommerfield-factor Geometric-factor S-factor

Phanerozoic co-evolution of O2-CO2 and ocean habitability

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national Science Review 2024年第6期11卷 18-21页

作者： Zunli lu Rosalind E.m.Rickaby Jonathan l.Payne Ashley n.Prow Departm.nt of Earth & Environm.ntal Sciences Syracuse University Departm.nt of Earth Sciences University of Oxford Departm.nt of Earth and Planetary Sciences Stanford University

Atmospheric carbon dioxide and oxygen concentrations are partially linked via the geological cycle of organic carbon （Fig. 1A–C; e.g. CO2+H2O■CH2O+O2）. The history of these two biologically active components, controls on their concentrations, and implications for the complexity of the biosphere and habitability of Earth have been hotly debated, but are generally considered independently.

关键词： CO2-COnCEnTRATInG mECHAnISm OXYGEn EVOlUTIOn AnOXIA

metal-modulated epitaxy of mg-doped Al_(0.80)In_(0.20)n-based layer for application as the electron blocking layer in deep ultraviolet light-emitting diodes

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Journal of Semiconductors 2024年第5期45卷 80-89页

作者： horacio Irán Solís-Cisneros Carlos Alberto Hernández-Gutiérrez Enrique Campos-González máximo lópez-lópez Optomechatronics Group Tecnológico Nacional de México Campus Tuxtla Gutiérrezcarretera Panamericana 1080C.P.29050Tuxtla GutiérrezChiapasMéxico Departam.nto de Física Instituto Nacional de Investigaciones NuclearesCarretera México-Toluca s/nC.P.52750La Marquesa OcoyoacacMéxico Departam.nto de Física Centro de Investigación y estudios Avanzados del Instituto Politécnico NacionalAv.Instituto Politécnico Nacional 2508San Pedro ZacatencoGustavo A.Madero07360 Ciudad de MéxicoCDMXMéxico

This work reports the growth and characterization of p-AlInn layers doped with mg by plasma-assisted molecular beam epitaxy(PAmBE).AlInn was grown with an Al molar fraction of 0.80 by metal-modulated epitaxy(mmE)with a thickness of 180 nm on Si(111)substrates using Aln as buffer *** substrate temperatures were used to enhance the incorporation of indium atoms into the alloy without clustering,as confirmed by X-ray diffraction(XRD).Cathodolum.nescence measurem.nts revealed ultraviolet(UV)range ***,Hall effect measurem.nts indicated a maximum hole mobility of 146 cm^(2)/(V∙s),corresponding to a free hole concentration of 1.23×10^(19)cm^(−3).The samples were analyzed by X-ray photoelectron spectroscopy(XPS)estimating the alloy composition and extracting the Fermi level by valence band ***-doped AlInn layers were studied for use as the electron-blocking layer(EBl)in lED *** varied the Al composition in the EBl from 0.84 to 0.96 molar fraction to assess its theoretical effects on electrolum.nescence,carrier concentration,and electric field,using SIlVACO *** results from this study highlight the importance and capability of producing high-quality mg-doped p-AlInn layers through *** simulations suggest that an Al content of 0.86 is optimal for achieving desired outcomes in electrolum.nescence,carrier concentration,and electric field.

关键词： metal-modulated epitaxy AlInn DUV-lED EBl simulation

Greatly enhanced corrosion/wear resistances of epoxy coating for mg alloy through a synergistic effect between functionalized graphene and insulated blocking layer

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Journal of magnesium and Alloys 2024年第1期12卷 332-344页

作者： Z.Y.Xue X.J.li J.H.Chu m.m.li D.n.Zou l.B.Tong School of metallurgical Engineering Xi’an University of Architecture and TechnologyXi’an 710055China State Key laboratory of Advanced Design and m.nufacturing for Vehicle Body Hunan UniversityChangsha 410082China

The poor corrosion and wear resistances of mg alloys seriously limit their potential applications in various *** conventional epoxy coating easily forms m.ny intrinsic defects during the solidification process,which cannot provide sufficient *** the current study,we design a double-layer epoxy composite coating on mg alloy with enhanced anti-corrosion/wear properties,via the spin-assisted assembly *** outer layer is functionalized graphene(FG)in waterborne epoxy resin(WEP)and the inner layer is Ce-based conversion(Ce)*** FG sheets can be homogeneously dispersed within the epoxy matrix to fill the intrinsic defects and improve the barrier *** Ce film connects the outer layer with the substrate,showing the transition *** corrosion rate of Ce/WEP/FG composite coating is 2131 times lower than that of bare mg alloy,and the wear rate is decreased by~90%.The improved corrosion resistance is attributed to the labyrinth effect(hindering the penetration of corrosive medium)and the obstruction of galvanic coupling *** synergistic effect derived from the FG sheet and blocking layer exhibits great potential in realizing the improvem.nt of multi-functional integration,which will open up a new avenue for the developm.nt of novel composite protection coatings of mg alloys.

关键词： mg alloy Functionalized graphene Epoxy coating Corrosion/wear resistance Blocking layer

Generation of polarized electron beams through self-injection in the interaction of a laser with a pre-polarized plasma

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High Power laser Science and Engineering 2024年第3期12卷 62-68页

作者： l.R.Yin X.F.li Y.J.Gu n.Cao Q.Kong m.Büscher S.m.Weng m.Chen Z.m.Sheng Key laboratory of nuclear Physics and Ion-beam Application(moE) Institute of Modern PhysicsDepartment of Nuclear Science and TechnologyFudan UniversityShanghaiChina State Key laboratory of High Field laser Physics Shanghai Institute of Optics and Fine MechanicsChinese Academy of SciencesShanghaiChina SAnKEn(Institute of Scientific and Industrial Research) Osaka UniversityOsakaJapan Sichuan Research Institute Shanghai Jiao Tong UniversityChengduChina Peter Grünberg Institut(PGI-6) Forschungszentrum JülichJülichGermany Institut für laser-und Plasmaphysik Heinrich-Heine-Universität DüsseldorfDüsseldorfGermany Key laboratory for laser Plasmas(moE) School of Physics and AstronomyShanghai Jiao Tong UniversityShanghaiChina Collaborative Innovation Center of IFSA Shanghai Jiao Tong UniversityShanghaiChina Tsung-Dao lee Institute Shanghai Jiao Tong UniversityShanghaiChina

Polarized electron beam production via laser wakefield acceleration in pre-polarized plasma is investigated by particlein-cell *** evolution of the electron beam polarization is studied based on the Thomas±Bargm.nn±michel±Telegdi equation for the transverse and longitudinal self-injection,and the depolarization process is found to be influenced by the injection *** the case of transverse self-injection,as found typically in the bubble regime,the spin precession of the accelerated electrons is mainly influenced by the ***,in the case of longitudinal injection in the quasi-1D regime(for example,*** et al.,***.110,135002(2013)),the direction of electron spin oscillates in the laser *** the electrons move around the laser axis,the net influence of the laser field is nearly zero and the contribution of the wakefield can be ***,an ultra-short electron beam with polarization of 99%can be obtained using longitudinal self-injection.

关键词： laser wakefield acceleration longitudinal self-injection particle-in-cell simulation polarized electron beam

Cr-induced fusion reactions to synthesize superheavy elem.nts

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nuclear Science and Techniques 2024年第5期35卷 122-130页

作者： S.madhu H.C.m.njunatha n.Sowmya B.m.Rajesh l.Seenappa R.S.Susheela Departm.nt of Physics R V College of EngineeringBangalore 560074India Visvesvaraya Technological University BelagaviKarnataka 590018India Departm.nt of Physics Government First Grade CollegeSrinivasapurKarnataka 563135India Departm.nt of Physics Government First Grade CollegeDevanahallyKarnataka 562110India Departm.nt of Physics Government First Grade CollegeMulbagalKarnataka 563131India Departm.nt of Physics Government First Grade collegeNanjangudOoty RoadMysore 571301India

We investigated ^(50,52-54)Cr-induced fusion reactions for the synthesis of the superheavy elem.nt in the 104≤Z≤122 *** cross sections produced in this investigation using ^(54)Cr projectiles were compared with those obtained in prior *** estimated cross sections from this analysis are consistent with the findings of prior *** the current study,the predicted cross section was found to be 42fb at 236 meV for ^(53)Cr+^(243)Am,23.2 fb at 236 meV for ^(54)Cr+^(247)Cm,95.6 fb at 240 meV for ^(53)Cr+248Bk,and 1.33 fb at 242 meV for ^(53)Cr+***,these projected cross sections with excitation energy and beam energy will be useful in future Cr-induced fusion reaction investigations.

关键词： Fusion cross sections Compound nucleus formation probability Survival probability Evaporation residue cross sections

A Tutorial on Federated learning from Theory to Practice:Foundations,Software Frameworks,Exemplary Use Cases,and Selected Trends

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IEEE/CAA Journal of Automatica Sinica 2024年第4期11卷 824-850页

作者： m.Victoria luzón nuria Rodríguez-Barroso Alberto Argente-Garrido Daniel Jim.nez-lópez Jose m.moyano Javier Del Ser Weiping Ding Francisco Herrera Departm.nt of Software Engineering Andalusian Research Institute in Data Science and Computational Intelligence(DaSCI)University of GranadaGranada 18071Spain Departm.nt of Computer Science and Artificial Intelligence Andalusian Research Institute in Data Science and Computational Intelligence(DaSCI)University of GranadaGranada 18071Spain Departm.nt of Comm.nications Engineering University of the Basque Country(UPV/EHU)and also with TECNALIABasque Research&Technology Alliance(BRTA)Spain School of Information Science and Technology Nantong UniversityNantong 226019China

When data privacy is imposed as a necessity,Federated learning(Fl)emerges as a relevant artificial intelligence field for developing machine learning(ml)models in a distributed and decentralized *** allows ml models to be trained on local devices without any need for centralized data transfer,thereby reducing both the exposure of sensitive data and the possibility of data interception by malicious third *** paradigm has gained mom.ntum in the last few years,spurred by the plethora of real-world applications that have leveraged its ability to improve the efficiency of distributed learning and to accommodate numerous participants with their data *** virtue of Fl,models can be learned from all such distributed data sources while preserving data *** aim of this paper is to provide a practical tutorial on Fl,including a short methodology and a systematic analysis of existing software ***,our tutorial provides exemplary cases of study from three complem.ntary perspectives:i)Foundations of Fl,describing the main components of Fl,from key elem.nts to Fl categories;ii)Implem.ntation guidelines and exemplary cases of study,by systematically exam.ning the functionalities provided by existing software frameworks for Fl deploym.nt,devising a methodology to design a Fl scenario,and providing exemplary cases of study with source code for different ml approaches;and iii)Trends,shortly reviewing a non-exhaustive list of research directions that are under active investigation in the current Fl *** ultimate purpose of this work is to establish itself as a referential work for researchers,developers,and data scientists willing to explore the capabilities of Fl in practical applications.

关键词： Data privacy distributed machine learning federated learning software frameworks

Ferroelectricity Induced by Oxygen Vacancies in Rhombohedral ZrO_(2) Thin Films

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Energy & Environm.ntal materials 2024年第1期7卷 229-237页

作者： Veniero lenzi José P.B.Silva Břetislav Šmíd Vladimir matoín Cosm.n m.Istrate Corneliu Ghica Judith l.macm.nus-Driscoll luís marques Physics Center of m.nho and Porto Universities(CF-Um-UP) University of MinhoCampus de Gualtar 4710-057Braga Portugal laboratory of Physics for materials and Emergent Technologies LapMETUniversity of Minho4710-057Braga Portugal Departm.nt of Surface and Plasma Science Faculty of Mathematics and PhysicsCharles UniversityV Holešovičkách 218000Prague 8 Czech Republic national Institute of materials Physics 105 bis Atomistilor 077125Magurele Romania Departm.nt of materials Science and metallurgy 27 Charles Babbage Rd.Cambridge CB3 OFSUK

Rhombohedral phase Hf_(x)Zr_(1.x)O_(2)(HZO,x from 0 to 1)films are promising for achieving robust ferroelectric polarization without the need for an initial wake-up pre-cycling,as is normally the case for the more comm.nly studied orthorhombic ***,a large spontaneous polarization observed in rhombohedral films is not fully understood,and there are also large discrepancies between experim.ntal and theoretical *** this work,in rhombohedral ZrO_(2)thin films,we show that oxygen vacancies are not only a key factor for stabilizing the phase,but they are also a source of ferroelectric polarization in the *** is shown experim.ntally through the investigation of the structural properties,chemical composition and the ferroelectric properties of the films before and after an annealing at moderate temperature(400℃)in an oxygen environm.nt to reduce the V_(o)concentration *** experim.ntal work is supported by density functional theory(DFT)calculations which show that the rhombohedral phase is the most stable one in highly oxygen defective ZrO_(2)*** DFT calculations also show that V_(o)contribute to the ferroelectric *** findings reveal the importance of V_(o)for stabilizing rhombohedral ZrO_(2)thin films with superior ferroelectric properties.

关键词： charged defects ferroelectric polarization rhombohedral phase stability zirconia