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DOE OSTI2026

Degenerate coupled-cluster theory

A size-extensive, converging, black-box, ab initio coupled-cluster (ΔCC) ansatz is introduced that computes the energies and wave functions of states from any degenerate or nondegenerate Slater-determinant references with any numbers of α- and β-spin electrons, any patterns of orbital occupancy, any spin multiplicities, and any spatial symmetries. For a nondegenerate reference, it reduces to the single-reference coupled-cluster ansatz. For a degenerate multireference, it is a natural coupled-cluster extension of degenerate Møller–Plesset perturbation (ΔMP) theory. For ionized and electron-attached references, it is a coupled-cluster Green’s function, although the present theory is convergent toward the full-configuration-interaction limits, while the Feynman–Dyson many-body Green’s function (MBGF) theory generally is not. Its single-excitation instance is a projection Hartree–Fock theory as per the Thouless theorem, which may be useful for core ionizations, high-spin states, and possibly electron affinities. Additionally, a new multireference coupled-cluster theory for a general model space is developed. This quasidegenerate coupled-cluster (QCC) theory is exactly converging, but not black-box, and intended for strong correlation. Determinant-based, general-order algorithms of ΔCC and QCC theories are implemented and compared with configuration-interaction (CI) and equation-of-motion coupled-cluster (EOM-CC) theories through octuple excitations and with ΔMP and MBGF theories up to the nineteenth order. An algebraic, optimal-scaling algorithm of the ΔCC theory is computer-synthesized at the levels of single excitations (ΔCCS) and of single and double excitations (ΔCCSD). As a result, the order of performance is QCC ≈ ΔCC > EOM-CC > CI at the same order or QCC ≈ ΔCC > ΔMP > MBGF at the same cost scaling.

Hirata, So [University of Illinois at Urbana-Champ↗

NASA NTRS1984

A refined nonlinear theory of plates with transverse shear deformation

A higher-order shear deformation theory of plates accounting for the von Karman strains is presented. The theory contains the same dependent unknowns as in the Hencky-Mindlin type first-order shear deformation theory and accounts for parabolic distribution of the transverse shear strains through the thickness of the plate. Exact solutions of simply supported plates are obtained using the linear theory and the results are compared with the exact solutions of three-dimensional elasticity theory, the first order shear deformation theory, and the classical plate theory. The present theory predicts the deflections, stresses, and frequencies more accurately when compared to the first-order theory and the classical plate theory.

Reddy, J. N.↗

NASA NTRS1987

A higher-order theory for geometrically nonlinear analysis of composite laminates

A third-order shear deformation theory of laminated composite plates and shells is developed, the Navier solutions are derived, and its finite element models are developed. The theory allows parabolic description of the transverse shear stresses, and therefore the shear correction factors of the usual shear deformation theory are not required in the present theory. The theory also accounts for the von Karman nonlinear strains. Closed-form solutions of the theory for rectangular cross-ply and angle-ply plates and cross-ply shells are developed. The finite element model is based on independent approximations of the displacements and bending moments (i.e., mixed finite element model), and therefore, only C sup o -approximation is required. The finite element model is used to analyze cross-ply and angle-ply laminated plates and shells for bending and natural vibration. Many of the numerical results presented here should serve as references for future investigations. Three major conclusions resulted from the research: First, for thick laminates, shear deformation theories predict deflections, stresses and vibration frequencies significantly different from those predicted by classical theories. Second, even for thin laminates, shear deformation effects are significant in dynamic and geometrically nonlinear analyses. Third, the present third-order theory is more accurate compared to the classical and firt-order theories in predicting static and dynamic response of laminated plates and shells made of high-modulus composite materials.

Reddy, J. N.↗

NASA NTRS2010

Interlaminar Stresses by Refined Beam Theories and the Sinc Method Based on Interpolation of Highest Derivative

Computation of interlaminar stresses from the higher-order shear and normal deformable beam theory and the refined zigzag theory was performed using the Sinc method based on Interpolation of Highest Derivative. The Sinc method based on Interpolation of Highest Derivative was proposed as an efficient method for determining through-the-thickness variations of interlaminar stresses from one- and two-dimensional analysis by integration of the equilibrium equations of three-dimensional elasticity. However, the use of traditional equivalent single layer theories often results in inaccuracies near the boundaries and when the lamina have extremely large differences in material properties. Interlaminar stresses in symmetric cross-ply laminated beams were obtained by solving the higher-order shear and normal deformable beam theory and the refined zigzag theory with the Sinc method based on Interpolation of Highest Derivative. Interlaminar stresses and bending stresses from the present approach were compared with a detailed finite element solution obtained by ABAQUS/Standard. The results illustrate the ease with which the Sinc method based on Interpolation of Highest Derivative can be used to obtain the through-the-thickness distributions of interlaminar stresses from the beam theories. Moreover, the results indicate that the refined zigzag theory is a substantial improvement over the Timoshenko beam theory due to the piecewise continuous displacement field which more accurately represents interlaminar discontinuities in the strain field. The higher-order shear and normal deformable beam theory more accurately captures the interlaminar stresses at the ends of the beam because it allows transverse normal strain. However, the continuous nature of the displacement field requires a large number of monomial terms before the interlaminar stresses are computed as accurately as the refined zigzag theory.

Slemp, Wesley C. H.↗

NASA NTRS2012

Analytic and Computational Perspectives of Multi-Scale Theory for Homogeneous, Laminated Composite, and Sandwich Beams and Plates

This paper reviews the theoretical foundation and computational mechanics aspects of the recently developed shear-deformation theory, called the Refined Zigzag Theory (RZT). The theory is based on a multi-scale formalism in which an equivalent single-layer plate theory is refined with a robust set of zigzag local layer displacements that are free of the usual deficiencies found in common plate theories with zigzag kinematics. In the RZT, first-order shear-deformation plate theory is used as the equivalent single-layer plate theory, which represents the overall response characteristics. Local piecewise-linear zigzag displacements are used to provide corrections to these overall response characteristics that are associated with the plate heterogeneity and the relative stiffnesses of the layers. The theory does not rely on shear correction factors and is equally accurate for homogeneous, laminated composite, and sandwich beams and plates. Regardless of the number of material layers, the theory maintains only seven kinematic unknowns that describe the membrane, bending, and transverse shear plate-deformation modes. Derived from the virtual work principle, RZT is well-suited for developing computationally efficient, C0-continuous finite elements; formulations of several RZT-based elements are highlighted. The theory and its finite elements provide a unified and reliable computational platform for the analysis and design of high-performance load-bearing aerospace structures.

Tessler, Alexander↗

NASA NTRS2012

Analytic and Computational Perspectives of Multi-Scale Theory for Homogeneous, Laminated Composite, and Sandwich Beams and Plates

This paper reviews the theoretical foundation and computational mechanics aspects of the recently developed shear-deformation theory, called the Refined Zigzag Theory (RZT). The theory is based on a multi-scale formalism in which an equivalent single-layer plate theory is refined with a robust set of zigzag local layer displacements that are free of the usual deficiencies found in common plate theories with zigzag kinematics. In the RZT, first-order shear-deformation plate theory is used as the equivalent single-layer plate theory, which represents the overall response characteristics. Local piecewise-linear zigzag displacements are used to provide corrections to these overall response characteristics that are associated with the plate heterogeneity and the relative stiffnesses of the layers. The theory does not rely on shear correction factors and is equally accurate for homogeneous, laminated composite, and sandwich beams and plates. Regardless of the number of material layers, the theory maintains only seven kinematic unknowns that describe the membrane, bending, and transverse shear plate-deformation modes. Derived from the virtual work principle, RZT is well-suited for developing computationally efficient, C(sup 0)-continuous finite elements; formulations of several RZT-based elements are highlighted. The theory and its finite element approximations thus provide a unified and reliable computational platform for the analysis and design of high-performance load-bearing aerospace structures.

Tessler, Alexander↗

DOE OSTI2024

Anomalies of 4d SpinG theories

Abstract We consider ’t Hooft anomalies of four-dimensional gauge theories whose fermion matter content admits Spin G (4) generalized spin structure, withGeither gauged or a global symmetry. We discuss methods to directly computew 2 ∪w 3 ’t Hooft anomalies involving Stiefel-Whitney classes of gauge and flavor symmetry bundles that such theories can have on non-spin manifolds, e.g.M 4 = ℂℙ 2 . Such anomalies have been discussed for SU(2) gauge theory with adjoint fermions, where they were shown to give an effect that was originally found in the Donaldson-Witten topological twist of$$ \mathcal{N} $$ N = 2 SYM theory. We directly compute these anomalies for a variety of theories, including generalGgauge theories with adjoint fermions, SU(2) gauge theory with fermions in general representations, and Spin(N) gauge theories with fundamental matter. We discuss aspects of matching these and other ’t Hooft anomalies in the IR phase where global symmetries are spontaneously broken, in particular for generalG gauge theory withN f adjoint Weyl fermions. For example, in the case ofN f = 2 we discuss anomaly matching in the IR phase consisting of$$ {h}_{G_{\textrm{gauge}}}^{\vee } $$ h G gauge ∨ copies of a ℂℙ 1 non-linear sigma model, including for thew 2 w 3 anomalies when formulated with$$ {\textrm{Spin}}_{\textrm{SU}{(2)}_{\textrm{global}}}(4) $$ Spin SU 2 global 4 structure.

Physics↗

DOE OSTI2024

Candidate phases for SU(2) adjoint QCD$_4$ with two flavors from $\mathcal{N}=2$ supersymmetric Yang-Mills theory

We study four-dimensional adjoint QCD with gauge group SU(2) and two Weyl fermion flavors, which has an SU(2) R chiral symmetry. The infrared behavior of this theory is not firmly established. We explore candidate infrared phases by embedding adjoint QCD into N = 2 supersymmetric Yang-Mills theory deformed by a supersymmetry-breaking scalar mass M that preserves all global symmetries and 't Hooft anomalies. This includes 't Hooft anomalies that are only visible when the theory is placed on manifolds that do not admit a spin structure. The consistency of this procedure is guaranteed by a nonabelian spin-charge relation involving the SU(2) R symmetry that is familiar from topologically twisted N = 2 theories. Since every vacuum on the Coulomb branch of the N = 2 theory necessarily matches all 't Hooft anomalies, we can generate candidate phases for adjoint QCD by deforming the theories in these vacua while preserving all symmetries and 't Hooft anomalies. One such deformation is the supersymmetry-breaking scalar mass M itself, which can be reliably analyzed when M is small. In this regime it gives rise to an exotic Coulomb phase without chiral symmetry breaking. By contrast, the theory near the monopole and dyon points can be deformed to realize a candidate phase with monopole-induced confinement and chiral symmetry breaking. The low-energy theory consists of two copies of a CP 1 sigma model, which we analyze in detail. Certain topological couplings that are likely to be present in this CP 1 model turn the confining solitonic string of the model into a topological insulator. We also examine the behavior of various candidate phases under fermion mass deformations. We speculate on the possible large-M behavior of the deformed N = 2 theory and conjecture that the CP 1 phase eventually becomes dominant.

Córdova, Clay↗

NASA NTRS1972

Theoretical frameworks for testing relativistic gravity. IV - A compendium of metric theories of gravity and their post-Newtonian limits.

Metric theories of gravity are compiled and classified according to the types of gravitational fields they contain, and the modes of interaction among those fields. The gravitation theories considered are classified as (1) general relativity, (2) scalar-tensor theories, (3) conformally flat theories, and (4) stratified theories with conformally flat space slices. The post-Newtonian limit of each theory is constructed and its Parametrized Post-Newtonian (PPN) values are obtained by comparing it with Will's version of the formalism. Results obtained here, when combined with experimental data and with recent work by Nordtvedt and Will and by Ni, show that, of all theories thus far examined by our group, the only currently viable ones are general relativity, the Bergmann-Wagoner scalar-tensor theory and its special cases (Nordtvedt; Brans-Dicke-Jordan), and a recent, new vector-tensor theory by Nordtvedt, Hellings, and Will.

Ni, W.-T.↗

NASA NTRS1986

On mixed and displacement finite element models of a refined shear deformation theory for laminated anisotropic plates

An improved plate theory that accounts for the transverse shear deformation is presented, and mixed and displacement finite element models of the theory are developed. The theory is based on an assumed displacement field in which the inplane displacements are expanded in terms of the thickness coordinate up to the cubic term and the transverse deflection is assumed to be independent of the thickness coordinate. The governing equations of motion for the theory are derived from the Hamilton's principle. The theory eliminates the need for shear correction factors because the transverse shear stresses are represented parabolically. A mixed finite element model that uses independent approximations of the displacements and moments, and a displacement model that uses only displacements as degrees of freedom are developed. A comparison of the numerical results for bending with the exact solutions of the new theory and the three-dimensional elasticity theory shows that the present theory (and hence the finite element models) is more accurate than other plate-theories of the same order.

Reddy, J. N.↗

NASA NTRS1994

A Semantic Theory of Abstractions: A Preliminary Report

In this paper we present a semantic theory of abstractions based on viewing abstractions as interpretations between theories. This theory captures important aspects of abstractions not captured in the theory of abstractions presented by Giunchiglia and Walsh. Instead of viewing abstractions as syntactic mappings, we view abstractions as a two step process: the intended domain model is first abstracted and then a set of (abstract) formulas is constructed to capture the abstracted domain model. Viewing and justifying abstractions as model level transformations is both natural and insightful. We provide a precise characterization of the abstract theory that exactly implements the intended abstraction, and show that this theory, while being axiomatizable, is not always finitely axiomatizable. A simple corollary of the latter result disproves a conjecture made by Tenenberg that if a theory is finitely axiomatizable, then predicate abstraction of that theory leads to a finitely axiomatizable theory.

Nayak, P. Pandurang↗

NASA NTRS2009

Refined Zigzag Theory for Laminated Composite and Sandwich Plates

A refined zigzag theory is presented for laminated-composite and sandwich plates that includes the kinematics of first-order shear deformation theory as its baseline. The theory is variationally consistent and is derived from the virtual work principle. Novel piecewise-linear zigzag functions that provide a more realistic representation of the deformation states of transverse-shear-flexible plates than other similar theories are used. The formulation does not enforce full continuity of the transverse shear stresses across the plate s thickness, yet is robust. Transverse-shear correction factors are not required to yield accurate results. The theory is devoid of the shortcomings inherent in the previous zigzag theories including shear-force inconsistency and difficulties in simulating clamped boundary conditions, which have greatly limited the accuracy of these theories. This new theory requires only C(sup 0)-continuous kinematic approximations and is perfectly suited for developing computationally efficient finite elements. The theory should be useful for obtaining relatively efficient, accurate estimates of structural response needed to design high-performance load-bearing aerospace structures.

Tessler, Alexander↗

DOE OSTI2025

Real-time scattering in Ising field theory using matrix product states

We study scattering in Ising field theory (IFT) using matrix product states and the time-dependent variational principle. IFT is a one-parameter family of strongly coupled nonintegrable quantum field theories in 1+1 dimensions, interpolating between massive free fermion theory and Zamolodchikov's integrable massive 𝐸 8 theory. Particles in IFT may scatter either elastically or inelastically. In the postcollision wave function, particle tracks from all final-state channels occur in superposition; processes of interest can be isolated by projecting the wave function onto definite particle sectors, or by evaluating energy density correlation functions. Using numerical simulations we determine the time delay of elastic scattering and the probability of inelastic particle production as a function of collision energy. We also study the mass and width of the lightest resonance near the 𝐸 8 point in detail. Close to both the free fermion and 𝐸 8 theories, our results for both elastic and inelastic scattering are in good agreement with expectations from form-factor perturbation theory. Using numerical computations to go beyond the regime accessible by perturbation theory, we find that the high-energy behavior of the two-to-two particle scattering probability in IFT is consistent with a conjecture of Zamolodchikov. Our results demonstrate the efficacy of tensor-network methods for simulating the real-time dynamics of strongly coupled quantum field theories in 1+1 dimensions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Nonparametric extensions of nuclear equations of state: Probing the breakdown scale of relativistic mean-field theory

Phenomenological calculations of the properties of dense matter, such as relativistic mean-field theories, represent a pathway to predicting the microscopic and macroscopic properties of neutron stars. However, such theories do not generically have well-controlled uncertainties and may break down within neutron stars. To faithfully represent the uncertainty in this breakdown scale, we develop a hybrid representation of the dense-matter equation of state, which assumes the form of a relativistic mean-field theory at low densities, while remaining agnostic to any nuclear theory at high densities. To achieve this, we use a nonparametric equation of state model to incorporate the correlations of the underlying relativistic mean-field theory equation of state at low pressures and transition to more flexible correlations above some chosen pressure scale. We perform astrophysical inference under various choices of the transition pressure between the theory-informed and theory-agnostic models. Here, we further study whether the chosen relativistic mean-field theory breaks down above some particular pressure and find no such evidence. Using simulated data for future astrophysical observations at about two-to-three times the precision of current constraints, we show that our method can identify the breakdown pressure associated with a potential strong phase transition.

Equations of state of nuclear matter↗

NASA NTRS1982

Nonlinear constitutive theory for turbine engine structural analysis

A number of viscoplastic constitutive theories and a conventional constitutive theory are evaluated and compared in their ability to predict nonlinear stress-strain behavior in gas turbine engine components at elevated temperatures. Specific application of these theories is directed towards the structural analysis of combustor liners undergoing transient, cyclic, thermomechanical load histories. The combustor liner material considered in this study is Hastelloy X. The material constants for each of the theories (as a function of temperature) are obtained from existing, published experimental data. The viscoplastic theories and a conventional theory are incorporated into a general purpose, nonlinear, finite element computer program. Several numerical examples of combustor liner structural analysis using these theories are given to demonstrate their capabilities. Based on the numerical stress-strain results, the theories are evaluated and compared.

Thompson, R. L.↗

NASA NTRS1989

On the relationship between matched filter theory as applied to gust loads and phased design loads analysis

A theoretical basis and example calculations are given that demonstrate the relationship between the Matched Filter Theory approach to the calculation of time-correlated gust loads and Phased Design Load Analysis in common use in the aerospace industry. The relationship depends upon the duality between Matched Filter Theory and Random Process Theory and upon the fact that Random Process Theory is used in Phased Design Loads Analysis in determining an equiprobable loads design ellipse. Extensive background information describing the relevant points of Phased Design Loads Analysis, calculating time-correlated gust loads with Matched Filter Theory, and the duality between Matched Filter Theory and Random Process Theory is given. It is then shown that the time histories of two time-correlated gust load responses, determined using the Matched Filter Theory approach, can be plotted as parametric functions of time and that the resulting plot, when superposed upon the design ellipse corresponding to the two loads, is tangent to the ellipse. The question is raised of whether or not it is possible for a parametric load plot to extend outside the associated design ellipse. If it is possible, then the use of the equiprobable loads design ellipse will not be a conservative design practice in some circumstances.

Zeiler, Thomas A.↗

NASA NTRS1993

A theory for the fracture of thin plates subjected to bending and twisting moments

Stress fields near the tip of a through crack in an elastic plate under bending and twisting moments are reviewed assuming both Kirchhoff and Reissner plate theories. The crack tip displacement and rotation fields based on the Reissner theory are calculated. These results are used to calculate the J-integral (energy release rate) for both Kirchhoff and Reissner plate theories. Invoking Simmonds and Duva's (1981) result that the value of the J-integral based on either theory is the same for thin plates, a universal relationship between the Kirchhoff theory stress intensity factors and the Reissner theory stress intensity factors is obtained for thin plates. Calculation of Kirchhoff theory stress intensity factors from finite elements based on energy release rate is illustrated. It is proposed that, for thin plates, fracture toughness and crack growth rates be correlated with the Kirchhoff theory stress intensity factors.

Hui, C. Y.↗

NASA NTRS1996

Origins of life: a comparison of theories and application to Mars

The field of study that deals with the origins of life does not have a consensus for a theory of life's origin. An analysis of the range of theories offered shows that they share some common features that may be reliable predictors when considering the possible origins of life on another planet. The fundamental datum dealing with the origins of life is that life appeared early in the history of the Earth, probably before 3.5 Ga and possibly before 3.8 Ga. What might be called the standard theory (the Oparin-Haldane theory) posits the production of organic molecules on the early Earth followed by chemical reactions that produced increased organic complexity leading eventually to organic life capable of reproduction, mutation, and selection using organic material as nutrients. A distinct class of other theories (panspermia theories) suggests that life was carried to Earth from elsewhere--these theories receive some support from recent work on planetary impact processes. Other alternatives to the standard model suggest that life arose as an inorganic (clay) form and/or that the initial energy source was not organic material but chemical energy or sunlight. We find that the entire range of current theories suggests that liquid water is the quintessential environmental criterion for both the origin and sustenance of life. It is therefore of interest that during the time that life appeared on Earth we have evidence for liquid water present on the surface of Mars.

Review, Academic↗