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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Elastic Screening of Pseudogauge Fields in Graphene

Lattice deformations in graphene couple to the low-energy electronic degrees of freedom as effective scalar and gauge fields. Using molecular dynamics simulations, we show that the optical component of the displacement field, i.e., the relative motion of different sublattices, contributes at equal order as the acoustic component and effectively screens the pseudogauge fields. In particular, we consider twisted bilayer graphene and corrugated monolayer graphene. In both cases, optical lattice displacements significantly reduce the overall magnitude of the pseudomagnetic fields. For corrugated graphene, optical contributions also reshape the pseudomagnetic field and significantly modify the electronic bands near charge neutrality. Previous studies based on continuum elasticity, which ignores this effect, have therefore systematically overestimated the strength of the strain-induced pseudomagnetic field. Furthermore, our results have important consequences for the interpretation of experiments and design of straintronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ab initio nucleon-nucleus elastic scattering with chiral effective field theory uncertainties

Effective interactions for nucleon-nucleus elastic scattering from first principles require the use of the same nucleon-nucleon interaction in the structure and reaction calculations and a consistent treatment of the relevant operators at each order. Systematic investigations of the effect of truncation uncertainties of chiral nucleon-nucleon ( N N ) forces have been carried out for scattering observables in the two- and three-nucleons system as well as for bound-state properties of light nuclei. Here we extend this type of study to proton and neutron elastic scattering for 16 O and 12 C. Using the frameworks of the spectator expansion of multiple scattering theory as well as the no-core shell model, we employ one specific chiral interaction from the LENPIC collaboration and consistently calculate the leading-order effective nucleon-nucleus interaction up to the third chiral order, from which we extract elastic scattering observables. Then we apply pointwise as well as correlated uncertainty quantification for the estimation of the chiral truncation error. We calculate and analyze proton elastic scattering observables for 16 O and 12 C as well as neutron elastic scattering observables for 12 C between 65 and 185 MeV projectile kinetic energy. We find in all cases qualitatively similar results for the chiral truncation uncertainties as in few-body systems and assess them using similar diagnostic tools. The order-by-order convergence of the scattering observables for 16 O and 12 C is very reasonable around 100 MeV, while for higher energies the chiral expansion parameter becomes too large for convergence. Comparing proton and neutron differential cross sections reveals that their description is comparable up to around 100 MeV. Here, we also find a nearly perfect correlation between the differential cross section for neutron scattering and the N N Wolfenstein amplitudes for small momentum transfers. The diagnostic tools for studying order-by-order convergence in observables in few-body systems can be employed for observables in nucleon-nucleus scattering with only minor modifications provided the momentum scale in the problems is not too large. We also find that the chiral N N interaction on which our study is based gives a very good description of differential cross sections for 16 O and 12 C as low as 65-MeV projectile energy, particularly in the forward direction. In addition, the very forward direction of the neutron differential cross section mirrors the behavior of the N N interaction amazingly well.

6 ≤ A ≤ 19↗
DOE OSTI2022

An effective field theory of magneto-elasticity

We utilize the coset construction to derive the effective field theory of magnon-phonon interactions in (anti)-ferromagnetic and ferrimagnetic insulating materials. The action is used to calculate the equations of motion which generalize the Landau-Lifshitz and stress equations to allow for magneto-acoustic couplings to all orders in the fields at lowest order in the derivative expansion. We also include the symmetry breaking effects due to Zeeman, and Dzyaloshinsky-Moriya interactions. This effective theory is a toolbox for the study of magneto-elastic phenomena from first principles. As an example we use this theory to calculate the leading order contribution to the magnon decay width due to its the decay into phonons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Optical conductivity of multi-Weyl node semimetals due to electromagnetic and axial pseudogauge fields

Here, we compute the optical conductivity of a multi-Weyl semimetal in the presence of electromagnetic and axial fields. In the first part of the paper we use a U(1) gauge field to compute the current of a multi-Weyl semimetal. The current is used in the computation of the optical conductivity within the Kubo-Matsubara formalism. We consider a multi-Weyl semimetal with two nodal points in the z-direction. The multi-Weyl semimetal has a width D in the transverse direction which is smaller than the length L in the longitudinal direction. Due to the width D we replace the model by a sum of transverse modes in 1+1 dimensions. We then regularize the model in 1+1 dimensions. The nodal points are responsible for a constant axial field and a static anomalous Hall effect. In the second part we study the effect of dynamic axial fields. An elastic deformation couples to the two electronic chiralities, and represents the axial pseudogauge field $\vec{a}$ 5 . As a consequence, the system is excited by two kinds of field, the electromagnetic one and the axial srain field. For a Weyl system this is represented by the triangle diagram, which is responsible for the anomalous Hall effect. We can obtain the anomalous Hall effect also by a chiral transformation in 1+1 dimensions using regularization. The chiral transformation modifies the path integration measure and is the source of the induced anomalous Hall effect. The latter is controlled by a combination of strain waves and electromagnetic fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

A Landau–Devonshire analysis of strain effects on ferroelectric Al 1-x Sc x N

We present a thermodynamic analysis of the recently discovered nitride ferroelectric materials using the classic Landau–Devonshire approach. Electrostrictive and dielectric stiffness coefficients of Al 1-x Sc x N with a wurtzite structure (6 mm) are determined using a free energy density function assuming a hexagonal parent phase (6/mmm), with the first-order phase transition based on the dielectric stiffness relationships. The results of this analysis show that the strain sensitivity of the energy barrier is one order of magnitude larger than that of the spontaneous polarization in these wurtzite ferroelectrics, yet both are less sensitive to strain compared to classic perovskite ferroelectrics. These analysis results reported here explain experimentally reported sensitivity of the coercive field to elastic strain/stress in Al 1-x Sc x N films and would enable further thermodynamic analysis via phase field simulation and related methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1972

Some remarks on elastic crack-tip stress fields.

It is shown that if the displacement field and stress intensity factor are known as functions of crack length for any symmetrical load system acting on a linear elastic body in plane strain, then the stress intensity factor for any other symmetrical load system whatsoever on the same body may be directly determined. The result is closely related to Bueckner's (1970) weight function, through which the stress intensity factor is expressed as a sum of work-like products between applied forces and values of the weight function at their points of application. An example of the method is given wherein the solution for a crack in a remotely uniform stress field is used to generate the expression for the stress intensity factor due to an arbitrary traction distribution on the faces of a crack. A corresponding theory is developed in an appendix for three-dimensional crack problems, although this appears to be directly useful chiefly for problems in which there is axial symmetry.

Rice, J. R.↗
DOE OSTI2023

A Landau-Devonshire Approach of Elastic Strain Effects on Ferroelectric Al1-xScxN

Landau-Devonshire thermodynamic modeling enables the phenomenological description of ferroelectrics. 1 The approach has been validated across a wide range of ferroelectric materials from the first ferroelectric discovered, Rochelle Salt, to recent HfO2-based materials. 2-4 Extension to what is now referred to as the Landau-Ginsburg-Devonshire model enables rigorous investigation of polarization boundaries and reorientation, phase transformations, and domain formation/evolution. We present a thermodynamic analysis of the recently discovered nitride ferroelectric materials 5-7 using the classic Landau-Devonshire approach. The electrostrictive and dielectric stiffness coefficients of Al1-xScxN with wurtzite structure (6mm) are determined using a free energy density function assuming a hexagonal parent phase (6/mmm), with the first order phase transition based on the dielectric stiffness relationships (Fig. 1). The results of this analysis show that the strain sensitivity of the energy barrier is one order of magnitude larger than that of the spontaneous polarization in these wurtzite ferroelectrics, yet both are less sensitive to strain compared to classic perovskite ferroelectrics (Fig. 2). These analysis results reported here explain experimentally reported sensitivity of coercive field to elastic strain/stress in Al1-xScxN films, and would enable further thermodynamic analysis via phase field simulation and related methods.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS↗
NASA NTRS1985

Fundamentals of microcrack nucleation mechanics

A foundation for ultrasonic evaluation of microcrack nucleation mechanics is identified in order to establish a basis for correlations between plane strain fracture toughness and ultrasonic factors through the interaction of elastic waves with material microstructures. Since microcracking is the origin of (brittle) fracture, it is appropriate to consider the role of stress waves in the dynamics of microcracking. Therefore, the following topics are discussed: (1) microstress distributions with typical microstructural defects located in the stress field; (2) elastic wave scattering from various idealized defects; and (3) dynamic effective-properties of media with randomly distributed inhomogeneities.

Fu, L. S.↗
NASA NTRS1999

Viscoplastic Constitutive Theory Demonstrated for Monolithic Ceramic Materials

Development of accurate three-dimensional (multiaxial) inelastic stress-strain models is critical in utilizing advanced ceramics for challenging 21st century high-temperature structural applications. The current state of the art uses elastic stress fields as a basis for both subcritical crack growth and creep life prediction efforts aimed at predicting the time dependent reliability response of ceramic components subjected to elevated service temperatures. However, to successfully design components that will meet tomorrow's challenging requirements, design engineers must recognize that elastic predictions are inaccurate for these materials when subjected to high-temperature service conditions such as those encountered in advanced heat engine components. Analytical life prediction methodologies developed for advanced ceramics and other brittle materials must employ accurate constitutive models that capture the inelastic response exhibited by these materials at elevated service temperatures. A constitutive model recently developed at the NASA Lewis Research Center helps address this issue by accounting for the time-dependent (inelastic) material deformation phenomena (e.g., creep, rate sensitivity, and stress relaxation) exhibited by monolithic ceramics exposed to high-temperature service conditions. In addition, the proposed formulation is based on a threshold function that is sensitive to hydrostatic stress and allows different behavior in tension and compression, reflecting experimental observations obtained for these material systems.

Janosik, Lesley A.↗
NASA NTRS1984

On stress field near a stationary crack tip

It is well known that the stress and elastic-plastic deformation fields near a crack tip have important roles in the corresponding fracture process. For elastic-perfectly-plastic solids, different solutions are given in the literature. In this work several of these solutions are examined and compared for Mode I (tension), Mode II (shear), and mixed Modes I and II loading conditions in plane strain. By consideration of the dynamic solution, it is shown that the assumption that the material is yielding all around a crack tip may not be reasonable in all cases. By admitting the existence of some elastic sectors, continuous stress fields are obtained even for mixed Modes I and II.

Nemat-Nasser, S.↗