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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,207 records · Page 67
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DOE OSTI2025

Transport signatures of Fermi arcs at twin boundaries in Weyl materials

One of the most striking signatures of Weyl fermions in solid-state systems is their surface Fermi arcs. Fermi arcs can also be localized at internal twin boundaries where two Weyl materials of opposite chirality meet. In this work, we derive constraints on the topology and connectivity of these “internal Fermi arcs.” We show that internal Fermi arcs can exhibit transport signatures, and we propose two probes: quantum oscillations and a quantized chiral magnetic current. We propose merohedrally twinned B20 materials as candidates to host internal Fermi arcs, verified through both model and calculations. Our theoretical investigation sheds light on the topological features and motivates experimental studies on the intriguing physics of internal Fermi arcs. Published by the American Physical Society 2025

Kaushik, Sahal (ORCID:0000000286435528)↗
DOE OSTI2025

Moment method and continued fraction expansion in Floquet operator Krylov space

Recursion methods such as Krylov techniques map complex dynamics to an effective noninteracting problem in one dimension. For example, the operator Krylov space for Floquet dynamics can be mapped to the dynamics of an edge operator of the one-dimensional Floquet inhomogeneous transverse field Ising model (ITFIM), where the latter, after a Jordan-Wigner transformation, is a Floquet model of noninteracting Majorana fermions and the couplings correspond to Krylov angles. We present an application of this showing that a moment method exists where given an autocorrelation function, one can construct the corresponding Krylov angles and from that the corresponding Floquet ITFIM. Consequently, when no solutions for the Krylov angles are obtained, it indicates that the autocorrelation is not generated by unitary dynamics. We highlight this by studying certain special cases: stable m-period dynamics derived using the method of continued fractions, exponentially decaying, and power-law decaying stroboscopic dynamics. Remarkably, our examples of stable m-period dynamics correspond to m-period edge modes for the Floquet ITFIM where, deep in the chain, the couplings correspond to a critical phase. Furthermore our results pave the way to engineer Floquet systems with desired properties of edge modes and also provide examples of persistent edge modes in gapless Floquet systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Convergence of nuclear effective field theory with perturbative pions

The classic paper by Fleming, Mehen, and Stewart (FMS) cast doubts on the convergence of spin-triplet nucleon-nucleon partial wave scattering amplitudes when following the proposal of Kaplan, Savage, and Wise to construct nuclear effective field theory (EFT) around the unitary fermion limit with perturbative pion exchange. FMS identified the subclass of iterated one-pion exchange potential graphs as the cause of this poor convergence, which they showed persisted in the chiral limit. Theoretical tools are developed in this work to compute these Feynman graphs analytically to high order in all angular momentum channels simultaneously, examining the amplitudes computed to seven loops in the $\textit{L = J}$ channels and three loops in the coupled $\textit{L = J}$ ± 1 channels. One finds that there is nothing pathological about the perturbative expansion of a 1/$r^3$ potential in general and that the expansion converges satisfactorily in all partial waves except those with the lowest angular momentum, particularly the $^3P_0$ and the coupled $^3S_1 - ^3D_1$ channels. The results corroborate work by Birse, which suggests possible avenues to explore for improving the range of validity of the EFT expansion.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Effective interactions between nuclear clusters

In this work, the effective interactions between two nuclear clusters, d + d, t + t, and α + α, are investigated within a cluster model using local nucleon-nucleon (NN) forces. It is shown that the interaction in the spin-aligned d + d system is repulsive for all intercluster distances, whereas the α + α and spin-aligned t + t systems are attractive at intermediate distances. The Pauli blocking between identical-nucleon pairs is responsible for the cluster-cluster repulsion and becomes dominant in the shallow binding limit. We demonstrate that two d clusters could be bound if the NN force has nonzero range and is strong enough to form a deeply bound d cluster, or if the NN force has both even-parity and odd-parity attraction. Effective dimer-dimer interactions for general quantum systems of two-component fermions are also discussed in heavy-light mass limit, where one component is much heavier than the other, and their relation to intercluster interactions in nuclear systems are discussed. Our findings provide a conceptual foundation for conclusions obtained numerically in the literature, that increasing the range or strength of the local part of the attractive nucleon-nucleon interaction results in a more attractive cluster-cluster interaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Nucleon-pair coupling scheme in Elliott's SU(3) model

Elliott's SU(3) model is at the basis of the shell-model description of rotational motion in atomic nuclei. Here we demonstrate that SU(3) symmetry can be realized in a truncated shell-model space if constructed in terms of a sufficient number of collective S, D, G,...pairs (i.e., with angular momentum zero, two, four,...) and if the structure of the pairs is optimally determined either by a conjugate-gradient minimization method or from a Hartree-Fock intrinsic state. We illustrate the procedure for six protons and six neutrons in the pf (sdg) shell and exactly reproduce the level energies and electric quadrupole properties of the ground-state rotational band with SDG (SDGI) pairs. The SD-pair approximation without significant renormalization, on the other hand, cannot describe the full SU(3) collectivity. A mapping from Elliott's fermionic SU(3) model to systems with s, d, g,... bosons provides insight into the existence of a decoupled collective subspace in terms of S, D, G,... pairs.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Structure of rotational bands in 109 Rh

Rotational bands in 109 Rh are investigated in a simple model and in the interacting boson-fermion model. We have developed a solvable extended transitional Hamiltonian by adding a two-configuration mixing term. Results suggest that 109 Rh is a good candidate for triaxiality and shape coexistence. Mixing between 3/2 + states with K = 1/2 and 3/2 is found to be weak, as evidenced by the E2 strengths.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Pauli energy contribution to the nucleus-nucleus interaction

Background: The Pauli exclusion principle plays a crucial role as a building block of many-body quantal systems comprised of fermions. It also induces a “Pauli repulsion” in the interaction between di-nuclear systems. It has been shown in [Phys. Rev. C 95, 031601(R) (2017)] that the Pauli repulsion widens the nucleus-nucleus potential barrier, thus hindering sub-barrier fusion. Purpose: To investigate the proton and neutron contributions to the Pauli repulsion, both in the bare potential neglecting shape polarization and transfer between the reactants, as well as in the dynamical potential obtained by accounting for such dynamical rearrangements. Methods: As the basis of our study we utilize the Pauli kinetic energy (PKE) obtained by studying the nuclear localization function (NLF). Recently this approach has been generalized to incorporate all of the dynamical and time-odd terms present in the nuclear energy density functional. This approach is employed in the density constrained frozen Hartree-Fock (DCFHF) and in the density constrained time-dependent Hartree-Fock (DC- TDHF) microscopic methods. Results: The PKE spatial distribution shows that a repulsion occurs in the neck between the nuclei when they first touch. Inside the barrier, neutrons can contribute significantly more to the Pauli repulsion in neutron-rich systems. Dynamical effects tend to lower the Pauli repulsion near the barrier. Proton and neutron dynamical contributions to the PKE significantly differ inside the barrier for asymmetric collisions, which is interpreted as an effect of multinucleon transfer. Conclusions: The PKE is shown to make a significant contribution to nuclear interaction potentials. Protons and neutrons can play very different roles in both the bare potential and in the dynamical rearrangement. Further microscopic studies are required to better understand the role of transfer and to investigate the effect of pairing and deformation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Effective field theory of pairing rotations

Pairing rotations are the low-energy excitations of finite superfluid systems, connecting systems that differ in their number of Cooper pairs. This paper presents a model-independent derivation of pairing rotations within an effective theory that exploits the emergent breaking of U(1) phase symmetries. The symmetries are realized nonlinearly and the Nambu-Goldstone modes depend only on time because the system is finite. Semimagic nuclei exhibit pairing rotational bands while the pairing spectrum becomes an elliptical paraboloid for open-shell nuclei. Model-independent relations between double charge-exchange reactions and α particle capture or knockout in open-shell nuclei are in analogy to the pair transfer reactions in a single superfluid. Odd semimagic nuclei are described by coupling a fermion to the superfluid. Furthermore, the leading-order theories reproduce data for pairing rotational bands within uncertainty estimates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Sensitivity of time-dependent density functional theory to initial conditions

Time-dependent density-functional theory is mathematically formulated through nonlinear coupled time-dependent three-dimensional partial differential equations, and it is natural to expect a strong sensitivity of its solutions to variations of the initial conditions, akin to the butterfly effect ubiquitous in classical dynamics. Since the Schrödinger equation for an interacting many-body system is, however, linear and mathematically the exact equations of the density-functional theory reproduce the corresponding one-body properties, it would follow that the Lyapunov exponents are also vanishing within a density-functional theory framework. Whether for realistic implementations of the time-dependent density-functional theory the question of the absence of the butterfly effect and whether the dynamics provided is indeed a predictable theory was never discussed. At the same time, since the time-dependent density-functional theory is a unique tool allowing us to study the nonequilibrium dynamics of strongly interacting many-fermion systems, the question of predictability of this theoretical framework is of paramount importance. Here our analysis, for a number of quantum superfluid many-body systems (unitary Fermi gas, nuclear fission, and heavy-ion collisions) with a classical equivalent number of degrees of freedom O(10 10 ) and larger, suggests that its maximum Lyapunov exponents are negligible for all practical purposes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Quantum simulations in effective model spaces: Hamiltonian-learning variational quantum eigensolver using digital quantum computers and application to the Lipkin-Meshkov-Glick model

Quantum simulations offer the potential to predict the structure and dynamics of nuclear many-body systems that are beyond the capabilities of classical computing. Generally, preparing the ground state of strongly-interacting many-body systems relevant to nuclear physics is however inefficient, even using ideal quantum computers. In addition, currently available NISQ-era quantum devices possess modest numbers of qubits, limiting the size of quantum many-body systems that can be simulated. In this context, a reformulation of the quantum many-body problems using truncated model spaces and Hamiltonians is desirable to make them more amenable to near-term quantum computers. The importance of symmetries in low-energy theories, including effective field theories (EFTs), lattice quantum chromodynamics (QCD), and effective model spaces for nuclear systems, in particular their interplay with the reduction of active Hilbert spaces, is well known. Lesser known is the fact that the non-commutivity of some symmetries and truncations of the model space can be profitably combined with variational calculations to rearrange the entanglement into localized structures and enable more efficient simulations. Here, the goal of the present study is to explore and utilize the non-commutivity of symmetries and model-space truncations of quantum many-body systems important to nuclear physics, particularly in combination with variational algorithms for quantum simulations and effective Hamiltonian learning. We introduce an iterative hybrid classical-quantum algorithm, Hamiltonian learning variational quantum eigensolver (HL-VQE), that simultaneously optimizes an effective Hamiltonian, thereby rearranging entanglement into the effective model space, and the associated ground-state wavefunction. Quantum simulations, using classical computers and IBM's superconducting-qubit quantum computers, are performed to demonstrate the HL-VQE algorithm, in the context of the Lipkin-Meshkov-Glick (LMG) model of interacting fermions, where the Hamiltonian transformation corresponds to an orbital rotation. We use a mapping where the number of qubits scales with the $\log$ of the size of the effective model space, rather than the particle number. HL-VQE is found to provide an exponential improvement in LMG-model calculations of the ground-state energy and wavefunction, compared to naive truncations without Hamiltonian learning, throughout a significant fraction of the Hilbert space. In the context of EFT, this corresponds to counterterms scaling exponentially with the cut-off as opposed to power law. Implementations on IBM's QExperience quantum computers and simulators for 1- and 2-qubit effective model spaces are shown to provide accurate and precise results, reproducing classical predictions. For a range of parameters defining the LMG model, the HL-VQE algorithm is found to have better scaling of quantum resources requirements than previously explored algorithms. In particular, the HL-VQE scales efficiently over a large fraction of the model space, in contrast to VQE alone. This work constitutes a step in the development of entanglement-driven quantum algorithms for descriptions of nuclear many-body systems. This, in part, leverages the potential of noisy intermediate-scale quantum (NISQ) devices. The exponential scaling of counterterms observed in this study suggests the possibility of more general applicability to other non-perturbative EFTs.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Mitigating Green's function Monte Carlo signal-to-noise problems using contour deformations

The Green's function Monte Carlo (GFMC) method provides accurate solutions to the nuclear many-body problem and predicts properties of light nuclei starting from realistic two- and three-body interactions. Controlling the GFMC fermion sign problem is crucial, as the signal-to-noise ratio decreases exponentially with imaginary time, requiring significant computing resources. Inspired by similar scenarios in lattice quantum field theory and spin systems, in this work, we employ integration contour deformations to improve the GFMC signal-to-noise ratio. Machine learning techniques are used to select optimal contours with minimal variance from parametrized families of deformations. As a proof of principle, we consider the deuteron binding energies and Euclidean density response functions. Here, we only observe mild signal-to-noise improvement for the binding energy case. On the other hand, we achieve an order of magnitude reduction of the variance for Euclidean density response functions, paving the way for computing electron- and neutrino-nucleus cross sections of larger nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

In-medium similarity renormalization group with flowing 3-body operators, and approximations thereof

Here, we explore the impact of retaining three-body operators within the in-medium similarity renormalization group (IMSRG), as well as various approximations schemes. After studying two toy problems, identical fermions with a contact interaction and the Lipkin-Meshkov-Glick model, we employ the valence-space formulation of the IMSRG to investigate the even- A carbon isotopes with a chiral two-body potential. We find that retaining only those commutators expressions that scale as N 7 provides an excellent approximation of the full three-body treatment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Role of momentum in the generator-coordinate method applied to barrier penetration

Nuclear fission at barrier-top energies is conventionally modeled by a one-dimensional Schrödinger equation applied to internal fission channels, but that treatment is hard to justify in the configuration-interaction approach to nuclear Hamiltonians. Here we show that inclusion of states of finite momentum by the generator coordinate method (GCM) considerably extends the range of energies at which GCM-based Hamiltonians could reproduce the Schrödinger treatment. Furthermore, the transmission probabilities for crossing the barrier are calculated by a discrete version of Kohn's variational method, which may also be useful for other systems of interacting fermions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Simplified projection on total spin zero for state preparation on quantum computers

Here, we introduce a simple algorithm for projecting on J = 0 states of a many-body system by performing a series of rotations to remove states with angular momentum projections greater than zero. Existing methods rely on unitary evolution with the two-body operator J 2 , which when expressed in the computational basis contains many complicated Pauli strings requiring Trotterization and leading to very deep quantum circuits. Our approach performs the necessary projections using the one-body operators J x and J z . By leveraging the method of Cartan decomposition, the unitary transformations that perform the projection can be parametrized as a product of a small number of two-qubit rotations, with angles determined by an efficient classical optimization. Given the reduced complexity in terms of gates, this approach can be used to prepare approximate ground states of even-even nuclei by projecting onto the J = 0 component of deformed Hartree-Fock states. We estimate the resource requirements in terms of the universal gate set {H,S, CNOT ,T} and briefly discuss a variant of the algorithm that projects onto J = 1/2 states of a system with an odd number of fermions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Towards a UV model of kinetic mixing and portal matter

The nature of dark matter (DM) and how it might interact with the particles of the Standard Model (SM) is an ever-growing mystery. It is possible that the existence of new “dark sector” forces, yet undiscovered, are the key to solving this fundamental problem, and one might hope that in the future such forces might even be “unified” with the ones we already know in some UV-complete framework. In this paper, following a bottom-up approach, we attempt to take the first steps in the construction of such a framework. The much-discussed possibility of the kinetic mixing (KM) of the “dark photon” with the hypercharge gauge boson of the SM via loops of portal matter (PM) fields, charged in both sectors, offers an attractive starting point for these efforts. Given the anticipated finite strength of the KM in a UV-complete theory, the absence of anomalies, and the lifetime constraints on the PM fields arising from cosmic microwave background and nucleosynthesis constraints, PM must behave as vector-like copies of the known SM fermion fields, such as those which appear naturally in, e.g., E 6 -type models. Within such a setup, the SM and their corresponding partner PM fields would be related by a new S U ( 2 ) I gauge symmetry. With this observation as a springboard, we construct a generalization of these ideas where S U ( 2 ) I is augmented by an additional U ( 1 ) I Y factor so that the light dark photon is the result of a symmetry breaking analogous to the SM, i.e., S U ( 2 ) I × U ( 1 ) I Y → U ( 1 ) D , but with U ( 1 ) D now also broken at the ≲ GeV scale. While SM fields are U ( 1 ) D singlets, as in the conventional dark photon approach, they transform nontrivially under the full S U ( 2 ) I × U ( 1 ) I Y gauge group. This approach leads to numerous interesting signatures, both at low energies and at colliders, and can be viewed as an initial step in the construction of a more UV-complete framework.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Higgs troika for baryon asymmetry

To explain the baryon asymmetry of the Universe, we extend the Standard Model (SM) with two additional Higgs doublets with small vacuum expectation values. The additional Higgs fields interact with SM fermions through complex Yukawa couplings, leading to new sources of $CP$ violation. We propose a simple flavor model with $\mathcal{O}$(1) or less Yukawa couplings for quarks and charged leptons, consistent with current flavor constraints. To generate neutrino masses and the baryon asymmetry, right-handed neutrinos in the ~ 0.1 - 10 TeV range couple to the "Higgs Troika." The new Higgs doublet masses are at or above the TeV scale, allowing for asymmetric decays into SM lepton doublets and right-handed neutrinos. The asymmetry in lepton doublets is then processed into a baryon asymmetry, similar to leptogenesis. Since the masses of the new fields could be near the TeV scale, there is potentially a rich high energy collider phenomenology, including observable deviations in the 125 GeV Higgs decay into muons and taus, as well as detectable low energy signals such as the electron EDM or $µ → eγ$. Hence, this is in principle a testable model for generation of baryon asymmetry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Removing flat directions in standard model EFT fits: How polarized electron-ion collider data can complement the LHC

We study the potential of future electron-ion collider (EIC) data to probe four-fermion operators in the Standard Model effective field theory (SMEFT). The ability to perform measurements with both polarized electron and proton beams at the EIC provides a powerful tool that can disentangle the effects from different SMEFT operators. We compare the potential constraints from an EIC with those obtained from Drell-Yan data at the Large Hadron Collider. We show that EIC data play an important complementary role since they probe combinations of Wilson coefficients not accessible through available Drell-Yan measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Two-neutrino double-𝛽 decay in pionless effective field theory from a Euclidean finite-volume correlation function

Two-neutrino double-β decay of certain nuclear isotopes is one of the rarest Standard Model processes observed in nature. Its neutrinoless counterpart is an exotic lepton-number nonconserving process that is widely searched to determine if the neutrinos are Majorana fermions. In order to connect the rate of these processes to the Standard Model and beyond the Standard Model interactions, it is essential that the corresponding nuclear matrix elements are constrained reliably from theory. Lattice quantum chromodynamics (LQCD) and low-energy effective field theories (EFTs) are expected to play an essential role in constraining the matrix element of the two-nucleon subprocess, which could in turn provide the input into ab initio nuclear-structure calculations in larger isotopes. Focusing on the two-neutrino process $nn\rightarrow pp(ee\bar{v}_{e}\bar{v}_e)$, the amplitude is constructed in this work in pionless EFT at next-to-leading order, demonstrating the emergence of a renormalization-scale independent amplitude and the absence of any new low-energy constant at this order beyond those present in the single-weak process. Most importantly, it is shown how a LQCD four-point correlation function in Euclidean and finite-volume spacetime can be used to constrain the Minkowski infinite-volume amplitude in the EFT. The same formalism is provided for the related single-weak process, which is an input to the double-β decay formalism. The LQCD-EFT matching procedure outlined for the double-weak amplitude paves the road toward constraining the two-nucleon matrix element entering the neutrinoless double-β decay amplitude with a light Majorana neutrino.

79 ASTRONOMY AND ASTROPHYSICS↗