Shape-induced phase transition of vortex domain structures in ferroelectric nanodots and their controllability by electrical and mechanical loads

Shape-induced phase transition of vortex domain structures （VDSs） in BaTiO3 （BT） nanodots under open circuit boundary condition have been investigated using an effective Hamiltonian method. Our calculation indicates the tetragonal VDS missing in cubic BT nanodots can be induced by varying the shape of a nanodot from cube to platelet. Interestingly, a novel VDS is found in BT nanoplatelets in our simulations. Further investigation shows that it is a result of compromise between the ground state and the symmetry of the shape of the nanodot. Furthermore, based on the novel VDS, routes of controlling VDSs governed by homogeneous electric field and uniform stress are discussed. In particular, our results show the possibility of designing multi-states devices based on a single VDS. ~ 2017 The Authors. Published by Elsevier Ltd on behalf of The Chinese Society of Theoretical and Applied Mechanics.

Delineating complex ferroelectric domain structures via second harmonic generation spectral imaging

Understanding the mechanisms and spatial correlations of crystallographic symmetry breaking in ferroelectric materials is essential to tuning their functional properties.While optical second harmonic generation(SHG)has long been utilized in ferroelectric studies,its capability for probing complex polar materials has yet to be fully realized.Here,we develop a SHG spectral imaging method implemented on a home-designed laser-scanning SHG microscope,and demonstrate its application for a model system of(K,Na)NbO3 single crystals.Supervised model fitting analysis produces comprehensive information about the polarization vector orientations and relative fractions of constituent domain variants as well as their thermal evolution across the polymorphic phase transitions.Multiple domains and phases are clearly delineated at different temperatures,suggesting the phase competitions in(K,Na)NbO3.Besides,we show that unsupervised matrix decomposition analysis can quickly and faithfully reveal domain configurations without a priori knowledge about specific material systems.The SHG spectral imaging method can be readily extended to other ferroelectric materials with potentials to be further enhanced.

A Molecular Dynamics Study on the (1120) Domain Boundary Structures in Epitaxial Wurtzite GaN

A computer program has been developed for the moIlcular dynamics calculation of ionic orstrong-ionic covalent systems. Ewald summation algorithm and Keating potentiaI model areadopted to calculate the long-range Coulomb interaction and the short-range bonding forces,respectively. A theoretical study on the domain boundary structures in epitaxial wurtzite GaN film is accomplished with the program. The calculation result is used in the structure formationexplanation of an interesting defect observed by HREM experiment.

Evolution of magnetic domain structure of martensite in Ni–Mn–Ga films under the interplay of the temperature and magnetic field

Ferromagnetic shape memory Ni-Mn-Ga films with 7M modulated structure were prepared on MgO （001） substrates by magnetron sputtering. Magnetization process with a typical two-hysteresis loop indicates the occurrence of the reversible magnetic field-induced reorientation. Magnetic domain structure and twin structure of the film were controlled by the in- terplay of the magnetic and temperature field. With cooling under an out-of-plane magnetic field, the evolution of magnetic domain structure reveals that martensitic transformation could be divided into two periods： nucleation and growth. With an in-plane magnetic field applied to a thermomagnetic-treated film, the evolution of magnetic domain structure gives evidence of a reorientation of twin variants of martensite. A microstructural model is described to define the twin structure and to produce the magnetic domain structure at the beginning of martensitic transformation; based on this model, the relationship between the twin structure and the magnetic domain structure for the treated film under an in-plane field is also described.

Evolution of Magnetic Domain Structure in a YIG Thin Film

The evolution of a magnetic domain structure induced by temperature and magnetic field is reported in silicon- doped yttrium iron garnet （YIG） films with perpendicular anisotropy. During a cooling-down procedure from 300K to 7K, a 20% change in the domain width is observed, with the long tails of the stripes being shortened and the twisting stripes being straightened. Under the influence of the stray field of a barium ferrite, the garnet presents an interesting domain structure, which shows an appearance of branching protrusions. The intrinsic mechanisms in these two processes are also discussed.

Domain Structure in Calcium Cerium Fluorocarbonate Minerals, Mianning County, Sichuan Province, China

The domain structures in calcium-cerium fluorocarbonate mineral series from a rare earth mineral deposit within an aegirine alkali granite massif in Mianning County, Sichuan Province, China, were studied by means of transmission electron microscopy. Many categories of domain structures in this mineral series were observed and investigated, including the microtwin domains of parisite-6R(2) and B2S-6R, the antiphase domains of B2S-2H. The results show that the antiphase domains which are faults along crystal plane (0001) are formed by the displacement of crystal lattice in c * direction and the displacement is 0.471 nm. A new polytype (B4S2-3R) of regular mixed-layer structure with B4S2 type is found in the domain region of mixed-layer structure.

Domain Structure of Iron Thin Films Prepared by Sputtering

Microstructure and magnetic domain structure of thin iron film prepared by sputtering were studied by magnetic force microscopy (MFM). Owing to the high lateral resolution of MFM magnetic structure of a single domain is able to be studied. Two series of iron thin films were grown on microcrystalline glass substrate by DC magnetron sputtering. They were prepared at different Ar pressure and annealing time. The results by magnetic force microscopy show both surface topography of the films and their local magnetic domain structure. It is suggested that the pin effect by single domain wall influence magnetic properties of the iron thin films.

Domain Structure of the Selenocysteine-specific Translation Factor SelB in Prokaryotes

Translation factor SelB is the key component for the specific decoding of UGA codons with selenocysteine at the ribosome. SelB binds selenocysteyl-tRNASec, guanine nucleotides and a secondary structure of the selenoprotein mRNA following the UGA at the 3' side. A comparison of the amino acid sequences of SelB species from E. coli,Desulfomicrobium baculatum, Clostridium thermoaceticum and Haemophilus influenzae showed that the proteins consist of at least four structural domains from which the Nterminal three are well conserved and share homology with elongation factor Tu whereas the C-terminal one is more variable and displays no similarity to any protein known. With the aid of the coordinates of EF-Tu the N-terminal part has been modelled into a 3D structure which exhibits intriguing features concerning its interaction with guanine nucleotides and other components of the translational apparatus. Cloning and expression of fragments of SelB and biochemical analysis of the purified truncated proteins showed that the C-terminal 19 kDa protein fragment is able to specifically bind to the selenoprotein mRNA. SelB, thus, is a translation factor functionally homologous to EF-Tu hooked up to the mRNA with its C-terminal end. The formation by SelB of a quaternary complex in vivo has been proven by overexpression of truncated genes of SelB and by demonstration that fragments comprising the mRNA or the tRNA binding domain inhibit selenocysteine insertion

THERMAL DEMAGNETIZATION AND RANDOMNESS OF DOMAIN NUCLEATION OF SINGLE PHASE Nd_2 Fe_(14) B

Based on the observation of temperature variation of both domain structure and magnetic con- trast.the thermal demagnetization and randomness of domain nucleation was discussed.

MAGNETIC DOMAIN STRUCTURE AND RELATED MAGNETIC PROPERTIES OF(NdPr)_(16)Fe_(76)B_8 PERMANENT MAGNET

The magnetic domain structure and related magnetic properties of (NdPr)_(16)Fe_(76)B_8 permanent magnet have been studied by colloid-SEM method.In thermally demagnetized state,the ma- trix grains in the magnet generally exhibit multidomain structure,i.e.,180° plate-like indi- vidual domain and a few spike-like or maze-like domains.The average width of the domain measured was 1.5μm.Grain size of single-domain was observed to be generally about 1μm and only a few up to 3μm.The results calculated are:the domain wall energy γ=36 MJ/m^2,the exchange constant A=4.5×10^(-11)J/m,the domain wall width δ=15.7nm, and the critical grain diameter of single-domain D_c=0.5μm.The dependence of high magnet- ic field gradient at grain boundaries in different magnetization directions in the adjacent mag- netic domains located on both sides of grain boundaries and the effect of microstructure on the values of K,A and δ were discussed.

Elastocaloric Effect in PbTiO3 Thin Films with 180°Domain Structure:A Phase Field Study

The elastocalorie effect of PbTiO3 thin films with 180° domain structure is studied using the phase field method. The influence of external stress σ33, misfit strain μm and domain wall energy on the adiabatic temperature change （ △ Tσ） at room temperature are carried out. The calculation results indicate that ｜△Tσ｜ increases as ｜σ33｜ or ｜μm｜ increases. The largest △ Tσ wlue of--7.81（ is obtained at σ33 = 2 GPa and Um =-0.02. Furthermore, the domain switching behaviors under different gradient coeffcients are different, and finally affect the elastocaloric effect in PTO thin films. These results could provide a guide to choose the substrate and the preparation process in experiments.

Evolution of domain structure in Fe_(3)GeTe_(2)

Two-dimensional(2D)magnets provide an ideal platform to explore new physical phenomena in fundamental magnetism and to realize the miniaturization of magnetic devices.The study on its domain structure evolution with thickness is of great significance for better understanding the 2D magnetism.Here,we investigate the magnetization reversal and domain structure evolution in 2D ferromagnet Fe_(3)GeTe_(2)(FGT)with a thickness range of 11.2-112 nm.Three types of domain structures and their corresponding hysteresis loops can be obtained.The magnetic domain varies from a circular domain via a dendritic domain to a labyrinthian domain with increasing FGT thickness,which is accompanied by a transition from squared to slanted hysteresis loops with reduced coercive fields.These features can be ascribed to the total energy changes from exchange interaction-dominated to dipolar interaction-dominated with increasing FGT thickness.Our finding not only enriches the fundamental magnetism,but also paves a way towards spintronics based on 2D magnet.

Ferroelectric solid solutions with perovskite- and columbite-type components: From structures formation to domain and hysteresis phenomena

The paper reports results on the complex study on ferroelectric ceramics that represent solid solutions containing components with a perovskite-type or columbite-type structure.Solid solutions of a three-component(1−x−y)NaNbO_(3)−xKNbO_(3)−yCdNb_(2)O_(6) system are manufactured at x=0.05-0.20 and y=0.10.Domain structures in ceramic grains are studied.The consistency between experimental and calculated results is examined for coexisting phases split into non-180°domains(mechanical twins)in the solid solution with x=0.15.A correlation between the internal structure(crystal,domain,granular,and defect)and fundamental elec­tromechanical and polarization properties is stated for the studied three-component solid solutions.

Strain tunability of dielectric and ferroelectric properties in epitaxial lead titanate thin films

Many distinguished properties of epitaxial ferroelectric thin films can be tunable through the misfit strain.The strain tunability of ferroelectric and dielectric properties in epitaxial lead titanate ultrathin films is numerically investigated by using a phase field model,in which the surface effect of polarization is taken into account.The response of polarization to the applied electric field in the thickness direction is examined with different misfit strains at room temperature.It is found that a compressive misfit strain increases the coercive field and the remanent polarization while a tensile misfit strain decreases both of them.The nonlinear dielectric constants of the thin films with tensile misfit strains are much larger than those of the thin films without misfit strains,which are attributed to the existence of the a/c/a/c multiple domains in the thin films under tensile misfit strains.

Relationship between crystal growth mode, preferred orientation and magnetostriction of (Tb_(0.3)Dy_(0.7))Fe_(1.95) alloys

The relationship between crystal growth mode, preferred orientation and magnetostrictive properties of （Tb0.3Dy0.7）Fe1.95 alloys was investigated at different directional solidification rates. The results showed that preferred orientation had a strong influence on the characteristics of （Tb0.3Dy0.7）Fe1.95 alloys. At lower solidification rates, the sample with 〈110〉 preferred orientation showed larger low-field magnetostriction and apparent compressive stress effect. The excessive solidification rate resulted in failure of preferred orientation and a poor magnetostrictive performance. With an increase in solidification rates, the crystal growth modes changed gradually from cellular and primary dendrite morphology to developed dendritic morphology. In addition, domain configurations were observed using magnetic force microscopy, and the change of magnetostrictive properties was interpreted in terms of revealing the domain configurations.

Characterization of Microstructure and Magnetic Properties of NdFeB Magnet with Dy, Al and Cu Additions

A new alloy of Nd33.5Dy0.99Febal.Al0.52Cu0.1B1.15 (%, mass fraction) was fabricated by powder metallurgy. The effects of Dy, Al and Cu additions on the microstructure and magnetic properties of sintered NdFeB magnet were investigated. The additions of Dy, Al and Cu are effective to refine grains and improve coercivity. Moreover, suitable amounts of Dy, Al and Cu lead to a demagnetization curve with good rectangularity. It is found that the sintered NdFeB magnet has relatively high magnetic performance of Br=12.17 kGs, jHc=13.52 kOe and (BH)max=34.71 MGOe. The sintered NdFeB sample was examined by magnetic force microscope which revealed the domain structures at the surface. It is revealed that the mean Nd2Fe14B grain size is significantly larger than the average scale of the magnetic contrast. An explanation about this is that most Nd2Fe14B grains in sintered NdFeB alloy are dominated with the multidomain structures when the magnet is in thermally demagnetization state.

Three dimensional phase field study on the thickness effect of ferroelectric polymer thin film

The electromechanical behavior of poly(vinylidene fluoride-trifluoroethylene)[P(VDF -TrFE)]ferroelectric thin film was investigated using the three dimensional(3D) phase-field method. Various energetic contributions,including elastic,electrostatic,and domain wall energy were taken into account in the variational functional of the phase field model.Evolution of the microscopic domain structures of P(VDF-TrFE) polymer film was simulated.Effects of the in-plane residual stress,the film thickness and externally applied electric bias field on the electromechanical properties of the film were explored.The obtained numerical results showed that the macroscopic responses of the electric hysteresis loops are sensitive to the residual stress and electric bias field.It was also found that thickness has a great effect on the electric hysteresis loops and remanent polarization.

Bioinformatic Analysis of Non-VP1 Capsid Protein of Coxsackievirus A6

This study bioinformatically analyzed the non-VP1 capsid proteins（VP2-VP4） of Coxasckievirus A6（CVA6）, with an attempt to predict their basic physicochemical properties, structural/functional features and linear B cell eiptopes. The online tools Sub Loc, Target P and the others from Ex PASy Bioinformatics Resource Portal, and SWISS-MODEL（an online protein structure modeling server）, were utilized to analyze the amino acid（AA） sequences of VP2-VP4 proteins of CVA6. Our results showed that the VP proteins of CVA6 were all of hydrophilic nature, contained phosphorylation and glycosylation sites and harbored no signal peptide sequences and acetylation sites. Except VP3, the other proteins did not have transmembrane helix structure and nuclear localization signal sequences. Random coils were the major conformation of the secondary structure of the capsid proteins. Analysis of the linear B cell epitopes by employing Bepipred showed that the average antigenic indices（AI） of individual VP proteins were all greater than 0 and the average AI of VP4 was substantially higher than that of VP2 and VP3. The VP proteins all contained a number of potential B cell epitopes and some eiptopes were located at the internal side of the viral capsid or were buried. We successfully predicted the fundamental physicochemical properties, structural/functional features and the linear B cell eiptopes and found that different VP proteins share some common features and each has its unique attributes. These findings will help us understand the pathogenicity of CVA6 and develop related vaccines and immunodiagnostic reagents.

Monte Carlo simulation on dielectric relaxation and dipole cluster state in relaxor ferroelectrics

The Ginzburg-Landau theory on ferroelectrics with random field induced by dipole defects is studied by using Monte Carlo simulation, in order to investigate the dipole configuration and the dielectric relaxation of relaxor ferro-electrics. With the increase of random field, the dipole configuration evolves from the long-range ferroelectric order into the coexistence of short-range dipole-clusters and less polarized matrix. The dipole-cluster phase above the transition temperature and superparaelectric fluctuations far below this temperature are identified for the relaxor ferroelectrics. We investigate the frequency dispersion and the time-domain spectrum of the dielectric relaxation, demonstrating the Vogel-Fulcher relationship and the multi-peaked time-domain distribution of the dielectric relaxation.

Influence of the distance between two voltage contacts on giant magneto-impedance of Co-based amorphous wires

The Co75Fe4.2Si8B12Nb0.8 amorphous wires of 30μm in diameter are produced by melt extraction and annealing at 450℃ for 20 min in vacuum with a longitudinal or transverse field of 40 kA/m. Distances between the two voltage contacts of 6, 5, 4 and 2 mm are obtained by moving the two voltage contacts towards the centre of the sample at the same time. Results indicate that magneto-impedance response is dependent on the distance significantly. As distance decreases from 6 to 2 mm, AZ/Z reduces from 609% to 95% and giant magneto-impedance （GMI） profiles change from two-peak to single-peak. Besides, field sensitivity improves from 0.47%/（A/m） to 0.76%/（A/m） when the single-peak GMI just appears. It is therefore concluded that actual measurements can be made comparable only by taking into account the influence of distance between two voltage contacts for a magneto-impedance measurement.