The interaction between stray electrostatic fields and a charged free-falling test mass

We present an experimental analysis of force noise caused by stray electrostatic fields acting on a charged test mass inside a conducting enclosure, a key problem for precise gravitational experiments. Measurement of the average field that couples to test mass charge, and its fluctuations, is performed with two independent torsion pendulum techniques, including direct measurement of the forces caused by a change in electrostatic charge. We analyze the problem with an improved electrostatic model that, coupled with the experimental data, also indicates how to correctly measure and null the stray field that interacts with test mass charge. Our measurements allow a conservative upper limit on acceleration noise, of 2 fm/s$^2$\rthz\ for frequencies above 0.1 mHz, for the interaction between stray fields and charge in the LISA gravitational wave mission.Comment: Minor edits in PRL publication proces

Assessment of atomic charge models for gas-phase computations on polypeptides

The concept of the atomic charge is extensively used to model the electrostatic properties of proteins. Atomic charges are not only the basis for the electrostatic energy term in biomolecular force fields but are also derived from quantum mechanical computations on protein fragments to get more insight into their electronic structure. Unfortunately there are many atomic charge schemes which lead to significantly different results, and it is not trivial to determine which scheme is most suitable for biomolecular studies. Therefore, we present an extensive methodological benchmark using a selection of atomic charge schemes [Mulliken, natural, restrained electrostatic potential, Hirshfeld-I, electronegativity equalization method (EEM), and split-charge equilibration (SQE)] applied to two sets of penta-alanine conformers. Our analysis clearly shows that Hirshfeld-I charges offer the best compromise between transferability (robustness with respect to conformational changes) and the ability to reproduce electrostatic properties of the penta-alanine. The benchmark also considers two charge equilibration models (EEM and SQE), which both clearly fail to describe the locally charged moieties in the zwitterionic form of penta-alanine. This issue is analyzed in detail because charge equilibration models are computationally much more attractive than the Hirshfeld-I scheme. Based on the latter analysis, a straightforward extension of the SQE model is proposed, SQE+Q0, that is suitable to describe biological systems bearing many locally charged functional groups

Quantitative measurement of the surface charge density

We present a method of measuring the charge density on dielectric surfaces. Similar to electrostatic force microscopy we record the electrostatic interaction between the probe and the sample surface, but at large tip-sample distances. For calibration we use a pyroelectric sample which allows us to alter the surface charge density by a known amount via a controlled temperature change. For proof of principle we determined the surface charge density under ambient conditions of ferroelectric lithium niobate

Electrostatic boundary value problems in the Schwarzschild background

The electrostatic potential of any test charge distribution in Schwarzschild space with boundary values is derived. We calculate the Green's function, generalize the second Green's identity for p-forms and find the general solution. Boundary value problems are solved. With a multipole expansion the asymptotic property for the field of any charge distribution is derived. It is shown that one produces a Reissner--Nordstrom black hole if one lowers a test charge distribution slowly toward the horizon. The symmetry of the distribution is not important. All the multipole moments fade away except the monopole. A calculation of the gravitationally induced electrostatic self-force on a pointlike test charge distribution held stationary outside the black hole is presented.Comment: 18 pages, no figures, uses iopart.st

Charge transfer electrostatic model of compositional order in perovskite alloys

We introduce an electrostatic model including charge transfer, which is shown to account for the observed B-site ordering in Pb-based perovskite alloys. The model allows charge transfer between A-sites and is a generalization of Bellaiche and Vanderbilt's purely electrostatic model. The large covalency of Pb^{2+} compared to Ba^{2+} is modeled by an environment dependent effective A-site charge. Monte Carlo simulations of this model successfully reproduce the long range compositional order of both Pb-based and Ba-based complex A(BB^{'}B^{''})O_3 perovskite alloys. The models are also extended to study systems with A-site and B-site doping, such as (Na_{1/2}La_{1/2})(Mg_{1/3}Nb_{2/3})O_3, (Ba_{1-x}La_{x})(Mg_{(1+x)/3}Nb_{(2-x)/3})O_3 and (Pb_{1-x}La_{x})(Mg_{(1+x)/3}Ta_{(2-x)/3})O_3. General trends are reproduced by purely electrostatic interactions, and charge transfer effects indicate that local structural relaxations can tip the balance between different B-site orderings in Pb based materials.Comment: 15 pages, 6 figure

Electric charge and potential distribution in twisted multilayer graphene

The specifics of charge screening and electrostatic potential spatial distribution in multilayered graphene films placed in between charged substrates is theoretically analyzed. It is shown that by varying the areal charge densities on the substrates and/or the thickness of the graphene stack one may tune the doped carriers distribution over the system. When the charge densities on the substrates are weak, the carriers distribution and electrostatic potential profile agree with semimetallic properties of graphene. However, when the amount of the donated charge is sufficiently large the transition to a metallic-like behavior of the graphene layers occurs. The possibilities for experimental observation of the predicted transition are discussed.Comment: 10 pages, 5 figures. arXiv admin note: substantial text overlap with arXiv:1311.050

Variational charge renormalization in charged systems

We apply general variational techniques to the problem of the counterion distribution around highly charged objects where strong condensation of counterions takes place. Within a field-theoretic formulation using a fluctuating electrostatic potential, the concept of surface-charge renormalization is recovered within a simple one-parameter variational procedure. As a test, we reproduce the Poisson-Boltzmann surface potential for a single charge planar surface both in the weak-charge and strong-charge regime. We then apply our techniques to non-planar geometries where closed-form solutions of the non-linear Poisson-Boltzmann equation are not available. In the cylindrical case, the Manning charge renormalization result is obtained in the limit of vanishing salt concentration. However, for intermediate salt concentrations a slow crossover to the non-charge-renormalized regime (at high salt) is found with a quasi-power-law behavior which helps to understand conflicting experimental and theoretical results for the electrostatic persistence length of polyelectrolytes. In the spherical geometry charge renormalization is only found at intermediate salt concentrations