Uniform External Electric Field Research Articles

Exploring the influence of external electric fields on the mechanical characteristics of zirconium disulfide nanosheets via density functional theory

The density functional theory is utilized to investigate elastic and plastic properties of zirconium disulfide (ZrS2) nanosheet subjected to a uniform external electric field up to 4 VÅ. In this respect, firstly, unit cell dimensions, bond lengths and bond angles are obtained by optimizing the unit cell of ZrS2nanosheet, and the most stable configuration is considered for the nanostructure accordingly. Then, by applying uniaxial and biaxial tensions on the nanosheet under a uniform external electric field, Young's and bulk moduli are computed, respectively. Finally, the applied strain is extended to the plastic region to evaluate the effect of external electric field on the first and second critical strains. It is shown that applying external electric field results in increasing Young's modulus of the nanosheet. However, the bulk modulus increases up to 2 VÅ and deceases afterwards. Besides, the first and second critical strains, which are respectively used to show the end of harmonic and inharmonic regions, decrease in the presence of the external electric field while the difference between them is not affected by the external electric field. Investigating the elastic and plastic properties of zirconium disulfide under an external electric field is important for both fundamental research and practical applications. It can help us develop new materials with tunable properties, optimize their performance in various devices, and contribute to the development of cutting-edge technologies

Unitary maps on Hamiltonians of an electron moving in a plane and coherent state construction

In this work, we consider a model of an electron moving in a plane under uniform external magnetic and electric fields. We investigate the action of unitary maps on the associated quantum Hamiltonians and construct coherent states of Gazeau–Klauder type.

Eccentricity-induced dielectrophoretic migration of a compound drop in a uniform external electric field

Eccentric compound drops, which are ubiquitous in many naturally inspired and engineering systems, can migrate under the sole presence of a uniform electric field, unlike the case of isolated single drops. Here, we report the migration of eccentric compound drops under a uniform electric field, imposed parallel to the line of centres of the constituting drops, by developing an approximate analytical model that applies to low Reynolds number limits under negligible droplet deformation, following axisymmetric considerations. In contrast to the sole influence of the electrohydrodynamic forces that has thus far been established to be emphatic for the eccentric configuration, here we report the additional effects induced by the dielectrophoretic forces to result in decisive manipulation in the drop migration. We show that the relative velocity between the inner and outer drops, which is a function of the eccentricity itself, dictates the dynamical evolution of the eccentricity variation under the competing electrohydrodynamic and dielectrophoretic interactions. This brings out four distinct regimes of the migration characteristics of the two drops based on their relative electro-physical properties. Our results reveal that an increase in eccentricity and the size ratio of the inner and outer droplets may induce monotonic or non-monotonic variation in the drop velocities, depending on the operating regime. We show how the interplay of various properties holds the control of selectively increasing or suppressing the eccentricity with time. These findings open up various avenues of electrically manipulative motion of encapsulated fluidic phases in various applications encompassing engineering and biology.

Compact lensless Fizeau holographic interferometry for imaging domain patterns in ferroelectric single crystals.

Domain patterns in ferroelectric single crystals are physical systems that are fascinating from a theoretical point of view and essential for many applications. A compact lensless method for imaging domain patterns in ferroelectric single crystals based on a digital holographic Fizeau interferometer has been developed. This approach provides a large field-of-view image while maintaining a high spatial resolution. Furthermore, the double-pass approach increases the sensitivity of the measurement. The performance of the lensless digital holographic Fizeau interferometer is demonstrated by imaging the domain pattern in periodically poled lithium niobate. To display the domain patterns in the crystal, we have used an electro-optic phenomenon, which, when an external uniform electric field is applied to the sample, produces a difference in refractive index values in domains with different polarization states of the crystal lattice. Finally, the constructed digital holographic Fizeau interferometer is used to measure the difference in the index of refraction in the antiparallel ferroelectric domains in the external electric field. The lateral resolution of the developed method for ferroelectric domain imaging is discussed.

Enhanced sensing performance of armchair stanene nanoribbons for lung cancer early detection using an electric field.

In this study, we analyze the effect of a uniform external electric field on the sensing behavior of armchair stanene nanoribbons (ASnNRs) for early detection of lung cancer biomarkers. The Density functional theory (DFT) and non-equilibrium Green function (NEGF) methods are used to study the sensing behavior. We use Ez = 0.4 V Å-1 and Ez = -0.4 V Å-1 as vertical electric fields and Ey = 0.08 V Å-1 and Ey = -0.08 V Å-1 as transverse electric fields. Our findings demonstrate that applying an electric field in a negative/positive direction considerably increases/decreases the magnitude of the adsorption energy and the transferred charge. In the presence of Ez = 0.4 V Å-1 and Ey = -0.08 V Å-1, a substantial decrease in current was observed. Furthermore, the current curves become more distinguishable compared to the absence of electric fields. The computed results indicate that the negative direction of the applied electric field enhanced the sensitivity and selectivity of ASnNRs for the detection of lung cancer-related biomarkers. The computed results also show that using Ez = -0.4 V Å-1 reduces the adsorption energy to Eads = -8.89 eV and enhances the sensitivity up to 41.83% for styrene detection, demonstrating an improvement in the sensing performance compared to the situation without an electric field. These findings have practical implications, as they can be used to develop highly sensitive early-detection gas sensors, potentially saving human lives.

Impacts of external fields on aromaticity and acidity of benzoic acid: a density functional theory, conceptual density functional theory and information-theoretic approach study.

The impact of external fields on the molecular structure and reactivity properties has been of considerable interest in the recent literature. Benzoic acid as one of the most widely used compounds in medicinal and materials sciences is known for its dual propensity in aromaticity and acidity. In this work, we systematically investigate the impact of a uniform external electric field on these properties. We apply density functional theory, conceptual density functional theory, and an information-theoretic approach to appreciate the change pattern of aromaticity and acidity properties in external fields with different strengths. Our results show that they possess different change patterns under external fields, which can be satisfactorily rationalized by variations in reactivity descriptors and partial charges. The surprising yet novel results from this study should enrich the body of our knowledge about the impact of external fields for different kinds of electronic properties and provide guidance and foundation for future studies of this phenomenon in other molecular systems.

Semi-analytical modeling of large area field emitters having non-identical pins

The Line Charge Model (LCM) is an excellent analytical tool to model vertically aligned nano-tips in large area field emitters (LAFE). The linear line charge model is exact for isolated hemi-ellipsoidal nano-tips placed in a uniform external electric field. It has recently been used to model a LAFE with randomly placed identical emitters. The results are accurate when the mean spacing c is moderate to large compared to the emitter height h. In a closely packed LAFE (c⪅0.75h), the LCM underpredicts the apex enhancement factor. We introduce a heuristic correction in the LCM result that yields a better accuracy in predicting the apex enhancement factor over a wider range of mean spacing. The corrected LCM model is then used to simulate emitter shapes having a distribution in the height of emitters and apex radius of curvature Ra. A hybrid approach is adopted for non-ellipsoidal shapes where the line charge density is nonlinear and, hence, harder to implement. Predictions for the apex enhancement factor and the net emission current are found to be reasonably accurate for a LAFE with a wide variation in h and Ra values.

Study of the Roberge-Weiss phase caused by external uniform classical electric field using lattice QCD approach

The effect of an external electric field on the quark matter is an important question due to the presence of strong electric fields in heavy ion collisions. In the lattice QCD approach, the case of a real electric field suffers from the ‘sign problem’, and a classical electric field is often used similar as the case of chemical potential. Interestingly, in axial gauge a uniform classical electric field actually can correspond to an inhomogeneous imaginary chemical potential that varies with coordinate. On the other hand, with imaginary chemical potential, Roberge-Weiss (R-W) phase transition occurs. In this work, the case of a uniform classical electric field is studied by using lattice QCD approach, with the emphasis on the properties of the R-W phase. Novel phenomena show up at high temperatures. It is found that, the chiral condensation oscillates with z at high temperatures, and so is the absolute value of the Polyakov loop. It is verified that the charge density also oscillates with z at high temperatures. The Polyakov loop can be described by an ansatz Ap + Σq=u,dCq exp (LτQqiazeEz), where Ap is a complex number and Cd> 0, Cu ≥ 0 are real numbers that are fitted for different temperatures and electric field strengths. As a consequence, the behavior of the phase of Polyakov loop is different depending on whether the Polyakov loop encloses the origin, which implies a possible phase transition.

Confined Stark effect and statistical distribution of charge carriers in β-HgS cylindrical quantized layer

The spectrum of single-particle states of charge carriers in the β-HgS quantized layer of the β-CdS/β-HgS/β-CdS cylindrical nanoheterostructure is considered in the approximation of the isotropic effective mass. Consideration is carried out for the most interesting case, when only the first size quantization subband is filled. The cases of strong quantization of the carriers’ motion in both the transverse-radial and longitudinal directions are considered separately. The splitting of the valence band into subbands of heavy and light holes is also taken into account. The dependence of the position of the chemical potential of electrons and holes on the quantization energy of charge carriers is obtained. Explicit expressions are obtained for the dependence of the density, internal energy, and heat capacity of charge carriers in the β-HgSlayer on the geometric sizes of the system and its temperature, and the corresponding graphic illustrations are presented. The influence of a longitudinal external uniform electric field on the statistical distribution of carriers in the β-HgS layer is also considered. An explicit dependence of the chemical potential and other statistical characteristics of the sample on the magnitude of the perturbing field has been obtained.

Influence of an Oriented External Electric Field on the Mechanism of Double Proton Transfer between Pyrazole and Guanidine: from an Asynchronous Plateau Transition State to a Synchronous or Stepwise Mechanism.

The double proton transfer (DPT) reaction between pyrazole and guanidine, a concerted reaction but strongly asynchronous and presenting a "plateau transition region", has been theoretically reinvestigated in the presence of an external uniform electric field. First, we computed the reaction path by DFT and proposed a very detailed description of the constitutive electronic events, based on the ELF topology and the bond evolution theory. Then, we studied the effect of an oriented external electric field (OEEF) on the reaction mechanism, for an OEEF oriented along the proton transfer axis. We observe that in one direction, the DPT reaction can be transformed into a stepwise reaction, going through a stabilized single proton transferred intermediate. Contrarily, the two proton transfers occur simultaneously when the electric field is applied in the opposite direction. In the latter case, the order in which the two protons are transferred in the same elementary step can even be reversed if the OEEF is intense enough. Finally, it has been shown that the evolution of the double proton transfer reaction in the presence of an electric field could be quantitatively anticipated by analyzing the ELF value at the bifurcation point between V(A, H) proton donor and V(B) proton acceptor of the double hydrogen bonded complex in the entrance channel.

Work of formation of a cluster of a new phase that is in a uniform external electric field and in the field of an ion outside the cluster

In the framework of the classical thermodynamic approach, an expression for the joint contribution to the work of formation of a spherical cluster of a new phase from the side of a uniform external electric field and the field of an ion that is outside the cluster is obtained. The analysis of the obtained expression in the case of the vapor-liquid phase transition is carried out. Keywords: nucleation, work of cluster formation, electric field, ions, nucleation rate.

Работа образования кластера новой фазы, который находится в однородном внешнем электрическом поле и поле иона вне кластера

In the framework of the classical thermodynamic approach, an expression for the joint contribution to the work of formation of a spherical cluster of a new phase from the side of a uniform external electric field and the field of an ion that is outside the cluster is obtained. The analysis of the obtained expression in the case of the vapor–liquid phase transition is carried out.

Linear Combination of Atomic Dipoles to Calculate the Bond and Molecular Dipole Moments of Molecules and Molecular Liquids.

We report a linear combination of atomic dipole (LCAD) method for calculating the bond dipole moments of molecules. We show that the LCAD method reproduces the known molecular dipole moments of small to large molecules with a small error with respect to experimental and benchmark ab initio calculations, and molecular dipole distributions of bulk water that agree with maximally localized Wannier functions. The bond dipole moments derived from LCAD are also chemically interpretable in terms of the trend in bond ionicity in going from neutral to charged molecules. Moreover, the LCAD method accurately captures the influence of electric fields, supported by the correct trend in the change of the dipole moment under a uniform external electric field. The better grounding of bond dipole calculations indicates that it should also serve as a useful approach to bond dipole-field models used in catalysis or to reconstruct the small dipole of a H-terminated graphene flake.

Coherent states for a system of an electron moving in a plane: case of discrete spectrum

In this work, we construct different classes of coherent states related to a quantum system, recently studied in [1], of an electron moving in a plane in uniform external magnetic and electric fields which possesses both discrete and continuous spectra. The eigenfunctions are realized as an orthonormal basis of a suitable Hilbert space appropriate for building the related coherent states. These latter are achieved in the context where we consider both spectra purely discrete obeying the criteria that a family of coherent states must satisfy.

Coherent states for a system of an electron moving in a plane

In this paper, we construct the coherent states for a system of an electron moving in a plane under uniform external magnetic and electric fields. These coherent states are built in the context of both discrete and continuous spectra and satisfy the Gazeau-Klauder coherent state properties Gazeau and Klauder (1999 J. Phys. A: Math. Gen. 32, 123–132).

Rigid diatomic polar molecules in an external uniform electric field

This paper presents a didactic treatment of the rigid diatomic molecule under the action of an external electric field. We discuss the role of a new constant of motion that is valid when the electric field breaks spherical symmetry. We obtain the wave functions and the energies in the radial direction as well as the angular degrees of freedom, the latter corresponding to the eigenvalue spectrum of the new constant of motion. We apply the theory of the HBr molecule, and plot some of its eigenfunctions to show how they deform under the presence of an electric field. We calculate the wave lengths of the absorbed electromagnetic radiation in the transition of the first and second excited states and with different field values.

Long-Range Fluctuation-Induced Forces in Driven Electrolytes.

We study the stochastic dynamics of an electrolyte driven by a uniform external electric field and show that it exhibits generic scale invariance despite the presence of Debye screening. The resulting long-range correlations give rise to a Casimir-like fluctuation-induced force between neutral boundaries that confine the ions; this force is controlled by the external electric field, and it can be both attractive and repulsive with similar boundary conditions, unlike other long-range fluctuation-induced forces. This work highlights the importance of nonequilibrium correlations in electrolytes and shows how they can be used to tune interactions between uncharged biological or synthetic structures at large separations.

Dependence of the Exciton-Light Coupling on the Quantum Well Width in an External Uniform Electric Field

Dependence of the Exciton-Light Coupling on the Quantum Well Width in an External Uniform Electric Field

Structure formation in suspensions under uniform electric or magnetic field

The structure formation of particles with induced dipoles dispersed in a viscous fluid, under a spatially and temporarily uniform external electric or magnetic field, is investigated by means of Brownian Dynamics simulations. Dipole–dipole interactions forces, excluded volume forces and thermal fluctuations are accounted for. The resulting structures are characterized in terms of average orientation of their inter-particle vectors (second Legendre polynomial), network structure, size of particle clusters, anisotropy of the gyration tensor of every cluster and existence of (cluster) percolation. The magnitude of the strength of the external field and the volume fraction of particles are varied and the structural evolution of the system is followed in time. The results show that the characteristic timescale calculated from the interaction of only two dipoles is also valid for the collective dynamics of many-particle simulations. In addition, the magnitude of the strength of the external field in the range of values we investigate influences only the magnitude of the deviations around the average behavior. The main characteristics (number density of branch-points and thickness of branches) of the structure are mainly affected by the volume fraction. The possibility of 3D printing these systems is explored. While the paper provides the details about the case of an electric field, all results presented here can be translated directly into the case of a magnetic field and paramagnetic particles.

Buckling treatment of piezoelectric functionally graded graphene platelets micro plates

Micro-electro-mechanical systems (MEMS) are widely employed in sensors, biomedical devices, optic sectors, and micro-accelerometers. New reinforcement materials such as carbon nanotubes as well as graphene platelets provide stiffer structures with controllable mechanical specifications by changing the graphene platelet features. This paper deals with buckling analyses of functionally graded graphene platelets micro plates with two piezoelectric layers subjected to external applied voltage. Governing equations are based on Kirchhoff plate theory assumptions beside the modified couple stress theory to incorporate the micro scale influences. A uniform temperature change and external electric field are regarded along the micro plate thickness. Moreover, an external in-plane mechanical load is uniformly distributed along the micro plate edges. The Hamilton's principle is employed to extract the governing equations. The material properties of each composite layer reinforced with graphene platelets of the considered micro plate are evaluated by the Halpin–Tsai micromechanical model. The governing equations are solved by the Navier's approach for the case of simply-supported boundary condition. The effects of the external applied voltage, the material length scale parameter, the thickness of the piezoelectric layers, the side, the length and the weight fraction of the graphene platelets as well as the graphene platelets distribution pattern on the critical buckling temperature change and on the critical buckling in-plane load are investigated. The outcomes illustrate the reduction of the thermal buckling strength independent of the graphene platelets distribution pattern while meanwhile the mechanical buckling strength is promoted. Furthermore, a negative voltage, -50 Volt, strengthens the micro plate stability against the thermal buckling occurrence about 9% while a positive voltage, 50 Volt, decreases the critical buckling load about 9% independent of the graphene platelet distribution pattern.