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DOE OSTI2020

Pairing instability on a Luttinger surface: A non-Fermi liquid to superconductor transition and its Sachdev-Ye-Kitaev dual

Superconductivity results from an instability of the Fermi surface—contour of poles of the single-particle propagator—to an infinitesimally small attraction between electrons. Here, we instead discuss the analogous problem on a model Luttinger surface, or contour of zeros of the Green function. At zero temperature ($β → \infty$) and a critical interaction strength ($u_{c∞}$) characterized by the residue of self-energy pole, we find that the pair susceptibility diverges leading to a superconducting instability. We evaluate the pair fluctuation partition function and find that the spectral density in the normal state has an interaction-driven, power-law $\frac{1}{\sqrt{ω}}$ type, van-Hove singularity (vHS), indicating non-Fermi liquid (NFL) physics. Crucially, in the strong coupling limit ($βu \gg 1$), the leading-order fluctuation free-energy terms in the normal state of this NFL-SC transition resembles the equivalent [$\textit{O}(1)$] terms of the Sachdev-Ye-Kitaev (SYK) model. This free-energy contribution takes a simple form $–βF = βu_{c∞} – γ \text{ln}(βu_{c∞}$), where $\gamma$ is a constant equal to $\frac{1}{2}$. Weak impurity scattering ($τ \gg β^{–1}$) leaves the low-energy spectral density unaffected but leads to an interaction-driven enhancement of superconductivity. Our results in this work shed light on the role played by order-parameter fluctuations in providing the key missing link between Mott physics and strongly coupled toy models exhibiting gravity duals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Evolution of Superconducting-Transition Temperature with Superfluid Density and Conductivity in Pressurized Cuprate Superconductors

What factors fundamentally determine the value of superconducting transition temperature T c in high temperature superconductors has been the subject of intense debate. Following the establishment of an empirical law known as Homes' law, there is a growing consensus in the community that the T c value of the cuprate superconductors is closely linked to the superfluid density (ρ s ) of its ground state and the conductivity (σ) of its normal state. However, all the data supporting this empirical law (ρ s = AσT c ) have been obtained from the ambient-pressure superconductors. In this study, we present the first high-pressure results about the connection of the quantities of ρ s and σ with T c , through the studies on the Bi 1.74 Pb 0.38 Sr 1.88 CuO 6+δ and Bi 2 Sr 2 CaCu 2 O 8+δ , in which the value of their high-pressure resistivity (ρ = 1/σ) is achieved by adopting our newly established method, while the quantity of ρs is extracted using Homes' law. In conclusion, we highlight that the T c values are strongly linked to the joint response factors of magnetic field and electric field, i.e., ρ s and σ, respectively, implying that the physics determining T c is governed by the intrinsic electromagnetic fields of the system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Superfluid density in overdoped cuprates: Thin films versus bulk samples

Recent study of overdoped La 2–x Sr x CuO 4 cuprate superconductor thin films by Božovic et al. has revealed several unexpected findings, most notably the violation of the BCS description which was believed to adequately describe overdoped cuprates. In particular, it was found that the superfluid density in La 2–x Sr x CuO 4 films decreases on the overdoped side as a linear function of critical temperature T c , which was taken as evidence for the violation of Homes' law. Here we show explicitly that the law is indeed violated, and as the main reason for violation we find that the superfluid density in Božovic's films is suppressed more strongly than in bulk samples. Based on the existing literature data, we show that the superfluid density in bulk cuprate samples does not decrease with doping, but instead tends to saturate on the overdoped side. The result is also supported by our recent measurement of a heavily overdoped bulk La 2–x Sr x CuO 4 sample. Moreover, this saturation of superfluid density might not be limited to cuprates, as we find evidence for similar behavior in two pnictide superconductor families. We argue that quantum phase fluctuations play an important role in suppressing the superfluid density in thin films.

2-dimensional systems↗

DOE OSTI2023

Bound-preserving finite element approximations of the Keller–Segel equations

We report this paper aims to develop numerical approximations of the Keller–Segel equations that mimic at the discrete level the lower bounds and the energy law of the continuous problem. We solve these equations for two unknowns: the organism (or cell) density, which is a positive variable, and the chemoattractant density, which is a non-negative variable. We propose two algorithms, which combine a stabilized finite element method and a semi-implicit time integration. The stabilization consists of a nonlinear artificial diffusion that employs a graph-Laplacian operator and a shock detector that localizes local extrema. As a result, both algorithms turn out to be nonlinear and can generate cell and chemoattractant numerical densities fulfilling lower bounds. However, the first algorithm requires a suitable constraint between the space and time discrete parameters, whereas the second one does not. We design the latter to attain a discrete energy law on acute meshes. We report some numerical experiments to validate the theoretical results on blowup and nonblowup phenomena. In the blowup setting, we identify a locking phenomenon that relates the L ∞ (Ω)-norm to the L 1 (Ω)-norm limiting the growth of the singularity when supported on a macroelement.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Asymptotic scaling laws for the stagnation conditions of Z-pinch implosions

Implosions of magnetically driven annular shells (Z pinches) are studied in the laboratory to produce high-energy-density plasmas. Such plasmas have a wide-range of applications including x-ray generation, controlled thermonuclear fusion, and astrophysics studies. In this work, we theoretically investigate the in-flight dynamics of a magnetically driven, imploding cylindrical shell that stagnates onto itself upon collision on axis. The converging flow of the Z-pinch is analyzed by considering the implosion trajectory in the (A, M) parametric plane, where A is the in-flight aspect ratio and M is the implosion Mach number. For an ideal implosion in the absence of instabilities and in the limit of A ≫ 1, we derive asymptotic scaling laws for hydrodynamic quantities evaluated at stagnation (e.g., density, temperature, and pressure) and for performance metrics (e.g., soft x-ray emission, K-shell x-ray emission, and neutron yield) as functions of target-design parameters.

Ruiz, D. E. [Sandia National Laboratories (SNL-NM)↗

DOE OSTI2019

Point-node gap structure of the spin-triplet superconductor UTe 2

In this work, low-temperature electrical and thermal transport, magnetic penetration depth, and heat capacity measurements were performed on single crystals of the actinide superconductor UTe 2 to determine the structure of the superconducting energy gap. Heat transport measurements performed with currents directed along both crystallographic a and b axes reveal a vanishingly small residual fermionic component of the thermal conductivity. The magnetic field dependence of the residual term follows a rapid, quasilinear increase consistent with the presence of nodal quasiparticles, rising toward the a -axis upper critical field where the Wiedemann-Franz law is recovered. Together with a quadratic temperature dependence of the magnetic penetration depth up to T / T c = 0.3 , these measurements provide evidence for an unconventional spin-triplet superconducting order parameter with point nodes. Millikelvin specific heat measurements performed on the same crystals used for thermal transport reveal an upturn below 300 mK that is well described by a divergent quantum-critical contribution to the density of states (DOS). Modeling this contribution with a T - 1 / 3 power law allows restoration of the full entropy balance in the superconducting state and a resultant cubic power law for the electronic DOS below T c , consistent with the point-node gap structure determined by thermal conductivity and penetration depth measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Scaling Law for Cloud-Rise Velocity vs. Scaled Height of Burst (SHOB)

The shockwave produced by a nuclear detonation leaves a low-density region in the vicinity of air zero (i.e., the point of detonation). As the shockwave degenerates into an acoustic wave, the buoyant force takes over and causes the low-density region to begin to rise at speeds that can reach as high as ~200-300 mph. The objective of this project was to find out if this initial cloud rise followed any scaling law, by stimulating a cloud rise for a 1 kiloton (kt) detonation and determining if a correlation existed between the scaled-height-of-burst (SHOB) and the scaled-cloud-rise velocity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Thermodynamics–Structure–Dynamics Correlations and Nonuniversal Effects in the Elastically Collective Activated Hopping Theory of Glass-Forming Liquids

We employ the microscopic Elastically Collective Nonlinear Langevin Equation (ECNLE) theory of activated dynamics in combination with crystal-avoiding simulations to study four inter-related questions for metastable monodisperse hard sphere fluids. The first is how significantly improved integral equation theory structural input (Modified-Verlet (MV) closure) changes the dynamical predictions of ECNLE theory. The main consequence is a modest enhancement of the importance of the collective elastic barrier relative to its local cage contribution, which increases the alpha relaxation time and fragility relative to prior results based on the Percus–Yevick closure. Second, ECNLE-MV theory predictions for the alpha time and self-diffusion constant in the metastable regime are quantitatively compared to our new simulations. The small adjustment of a numerical prefactor that enters the collective elastic barrier leads to quantitative agreement over three decades. Third, using the more accurate MV structural input, ECNLE theory is shown to predict thermodynamics–structure–dynamics “correlations” based on various long and short wavelength scalar properties all related to static two-point collective density fluctuations. The logarithm of the alpha relaxation time scales as a power law with these scalar metrics with an exponent that is significantly lower in the less dense noncooperative activated regime compared to the very dense highly cooperative regime. However, the discovered correlation of activated relaxation with a thermodynamic property (dimensionless compressibility) is not causal in ECNLE theory, but rather reflects a strong connection between the local structural quantities that quantify kinetic constraints in the theory with the amplitude of long wavelength density fluctuations. Fourth, the consequences of chemically specific nonuniversalities associated with the onset condition and relative importance of collective elasticity are studied. In conclusion, the predicted thermodynamics–structure–dynamics correlations are found to be robust, albeit with nontrivial shifts of the onset condition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Spillway preheating

In traditional models only an order one fraction of energy is transferred from the inflaton to radiation through nonperturbative resonance production in preheating immediately after inflation, due to backreaction effects. We propose a particle production mechanism that could improve the depletion of the inflaton energy density by up to four orders of magnitude. The improvement comes from the fast perturbative decays of resonantly produced daughter particles. They act as a “spillway” to drain these daughter particles, reducing their backreaction on the inflaton and keeping the resonant production effective for a longer period. Thus we dub the scenario “spillway preheating”. We also show that the fraction of energy density remaining in the inflaton has a simple inverse power-law scaling in the scenario. In general, spillway preheating is a much more efficient energy dissipation mechanism, which may have other applications in model building for particle physics.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Flue Gas CO 2 Capture via Electrochemically Mediated Amine Regeneration: Desorption Unit Design and Analysis

We analyzed the performance of an electrochemical desorption unit to be implemented in an electrochemically mediated amine regeneration (EMAR) process, which separates CO 2 and regenerates the amine upon modulation of a targeted species that complexes with the amine molecules. Using a simplified one-dimensional boundary layer model, we combined the kinetic expressions of the faradaic reactions with mass transfer effects to analyze the polarization behavior of the flow cell. Mass transfer limitations become dominant at high current densities, leading to increases in energy consumption. An understanding of scaling laws with key parameters, such as the Sherwood number, is required to achieve high power operation with minimal mass transfer losses. Because the EMAR chemistry is sensitive to temperature, heat distribution in the unit is also examined. Our results indicate that the desorption performance increases with addition of a high-temperature heat source. Additionally, incorporation of membrane crossover suggests energy losses because of diffusion and migration of active species. Furthermore, these findings inform on scaling laws for at-scale desorber design and provide a model for scaling up the EMAR system for larger scale operations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Enhanced Interfacial Bonding of Graft Copolymers

To understand how thermoplastic welding strength can be tuned through chemical modifications and macromolecular topology, we combined coarse-grained molecular dynamics (MD) simulations with experimental validation. Our simulations examined the diffusion dynamics of both linear and graft polymers across representative interfaces, revealing that diffusion-controlled interdigitation follows a power law, with the exponent decreasing from 0.34 to 0.11 as grafting density increases from 7.5 to 196% (with side chains grafted to both sides of a monomer unit). The addition of side chains enhances welding efficiency, as dense bottlebrush polymers with high grafting density reach maximum rupture strength faster than linear polymers. However, their saturated rupture strength is lower. This observation is subsequently corroborated by experimental lap-shear tests comparing linear polyethylene with octene grafted polyethylene elastomers. Our MD simulations show that unlike linear polymers, where backbone entanglements dominate, the grafted side chains introduce mechanisms in addition to entanglement dilution. The rapid interdigitation of side chains creates a dense mesh of entropic van der Waals contacts, which can also enhance the film welding. Furthermore, our MD simulations reveal a brittle rupture behavior in linear and comb-like (mildly grafted) polymers, while bottlebrush (densely grafted) polymers display elastomeric behavior with a pronounced stress plateau prior to fracture. Our simulations deconvolute the influence of polymer topology on deformation behavior. The rate of polymer deformation becomes lower than the applied strain rate prior to rupture, and the onset of this deviation is progressively delayed from linear to bottlebrush polymers. This trend highlights the critical role of molecular architecture in governing the mechanical response. In conclusion, these results provide deeper insight into the underlying welding mechanisms of topological polymers and present a potential approach for mitigating the interface anisotropy that is inherent in advanced manufacturing techniques such as fused filament fabrication.

graft copolymers↗

DOE OSTI2021

Large-scale Gravitational Lens Modeling with Bayesian Neural Networks for Accurate and Precise Inference of the Hubble Constant

We investigate the use of approximate Bayesian neural networks (BNNs) in modeling hundreds of time delay gravitational lenses for Hubble constant (H 0 ) determination. Here, our BNN was trained on synthetic Hubble Space Telescope quality images of strongly lensed active galactic nuclei with lens galaxy light included. The BNN can accurately characterize the posterior probability density functions (PDFs) of model parameters governing the elliptical power-law mass profile in an external shear field. We then propagate the BNN-inferred posterior PDFs into an ensemble H 0 inference, using simulated time delay measurements from a plausible dedicated monitoring campaign. Assuming well-measured time delays and a reasonable set of priors on the environment of the lens, we achieve a median precision of 9.3% per lens in the inferred H 0 . A simple combination of a set of 200 test lenses results in a precision of 0.5 km s –1 Mpc –1 (0.7%), with no detectable bias in this H 0 recovery test. The computation time for the entire pipeline—including the generation of the training set, BNN training and H0 inference—translates to 9 minutes per lens on average for 200 lenses and converges to 6 minutes per lens as the sample size is increased. Being fully automated and efficient, our pipeline is a promising tool for exploring ensemble-level systematics in lens modeling for H 0 inference.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Electrochemical Study of OH - in Molten MgCl 2 -NaCl-KCl Salts

Here the present study determines the equilibrium concentration of OH- in molten MgCl 2 -NaCl-KCl salts and measures the kinetic properties data of OH- (diffusion coefficient, exchange current density, charge transfer coefficient, limiting current density, and standard rate constant) accordingly at different temperatures. The equilibrium concentration of OH- descends as the temperature increases, which ranges from 4.11 to 2.84 × 10 -6 mol cm -3 in the temperature range of 600 °C–800 °C. The diffusion coefficient follows Arrhenius law with a value between 2.46 and 4.48 × 10 -4 cm 2 s -1 . The exchange and limit current densities, and standard rate constant increase with temperature. The calculated standard rate constant κ 0 follows Arrhenius law, which is in the range from 1.23 to 2.50 × 10 -4 cm s -1 . The measured charge transfer coefficient is independent of temperature, which validates the present measurements.

14 SOLAR ENERGY↗

DOE OSTI2022

Development of a synthetic phase contrast imaging diagnostic for turbulence studies at Wendelstein 7-X

Abstract We present a synthetic phase contrast imaging (PCI) diagnostic for studying turbulence at the Wendelstein 7-X (W7-X) stellarator. We first describe the implemented instrument response model, which captures diffraction effects, detector noise, and the long-wavelength cutoff due to the phase plate of the PCI system. To verify the instrument response model, we show that it is capable of reproducing the PCI signal generated by the sound wave speaker used for calibration at W7-X. Next, we discuss the calculation of synthetic PCI signals based on the global, nonlinear gyrokinetic codes GENE-3D and EUTERPE, including results from some of the first stellarator simulations of this type with kinetic electrons (KEs) in GENE-3D. While the simulations used in this work lack a neoclassical radial electric field, which is crucial for reproducing experimental PCI signals, they do indicate that the dominant rotation direction and velocities of the turbulent fluctuations can be inferred from the wave number-frequency spectra of the PCI signals, as expected. The synthetic PCI wave number spectra are further shown to be similar to those of the line-integrated fluctuating electron density, with distinct differences between adiabatic and KE simulations, explainable by previously published turbulence models. For example, the wave number spectra of all adiabatic electron simulations analyzed here follow a power law with an exponent close to −5 for sufficiently large wave numbers. This indicates that universal features of electron density turbulence at W7-X may be studied using the PCI system.

EUTERPE↗

DOE OSTI2024

Medium-Range Structural Order as the Driver of Activated Dynamics and Complexity Reduction in Glass-Forming Liquids

Here, we analyze in depth the Elastically Collective Nonlinear Langevin Equation theory of activated dynamics in metastable liquids to establish that the predicted inter-relationships between the alpha relaxation time, local cage and collective elastic barriers, dynamic localization length, and shear modulus are causally related within the theory to the medium range order (MRO) static correlation length. The latter grows exponentially with density for metastable hard sphere fluids and as a nonuniversal inverse power law with temperature for supercooled liquids under isobaric conditions. The physical origin of predicted connections between the alpha time and other metrics of cage order and the thermodynamic inverse dimensionless compressibility is fully established. It is discovered that although kinetic constraints from the real space first coordination shell are important for the alpha time, they are of secondary importance compared to the consequences of the more universal MRO correlations in both the modestly and deeply metastable regimes. This understanding sheds new light on the theoretical basis for, and prior successes of, the predictive mapping of chemically complex thermal liquids to effective hard sphere fluids based on matching their dimensionless compressibilities, a scheme we call “complexity reduction”. In essence, the latter is equivalent to the physical requirement that the thermal liquid MRO correlation equals that of its effective hard sphere analog. The mapping alone is shown to provide a remarkable level of quantitative predictive power for the glass transition temperature T g of 21 molecular and polymer liquids. Predictions for the chemically specific absolute magnitude and growth with cooling of the MRO correlation length are obtained and lie in the window of 2–6 nm at T g . Dynamic heterogeneity, elastic facilitation, and beyond pair structure issues are briefly discussed. Future opportunities to theoretically analyze the equilibrated deep glass regime are outlined.

cancer↗

DOE OSTI2026

Cavendish Tests of Millicharged Particles

A terrestrial population of room-temperature millicharged particles can arise if they make up a dark matter subcomponent or if they are light enough to be produced in cosmic ray air showers. In a companion paper, we showed that a simple electrified shell acts as an efficient accumulator for such particles, parametrically enhancing their local density by many orders of magnitude. Here we demonstrate that Cavendish tests of Coulomb’s Law, performed since the late 18th century, function as both quasistatic accumulators and detectors for this overdensity. Reinterpretations of these past Cavendish tests thus provide some of the strongest bounds on a terrestrial millicharge population. We also propose surrounding a Cavendish test with an additional charged shell, which significantly improves the sensitivity and can even enable detection of the irreducible density of millicharged particles generated from cosmic rays. Using decades-old technology, this can outperform future accelerator searches for sub-GeV masses.

Berlin, Asher [Fermilab] (ORCID:0000000211561482)↗

DOE OSTI2023

Dark matter halo mass functions and density profiles from mass and energy cascade

Abstract Halo abundance and structure play a central role for modeling structure formation and evolution. Without relying on a spherical or ellipsoidal collapse model, we analytically derive the halo mass function and cuspy halo density (inner slope of −4/3) based on the mass and energy cascade theory in dark matter flow. The hierarchical halo structure formation leads to halo or particle random walk with a position-dependent waiting time $$\tau _g$$ τ g . First, the inverse mass cascade from small to large scales leads to the halo random walk in mass space with $$\tau _g\propto m_h^{-\lambda }$$ τ g ∝ m h - λ , where $$m_h$$ m h is the halo mass and $$\lambda$$ λ is a halo geometry parameter with predicted value of 2/3. The corresponding Fokker-Planck solution for halo random walk in mass space gives rise to the halo mass function with a power-law behavior on small scale and exponential decay on large scale. This can be further improved by considering two different $$\lambda$$ λ for haloes below and above a critical mass scale $$m_h^*$$ m h ∗ , i.e. a double- $$\lambda$$ λ halo mass function. Second, a double- $$\gamma$$ γ density profile can be derived based on the particle random walk in 3D space with a position-dependent waiting time $$\tau _g \propto \Phi (r)^{-1} \propto r^{-\gamma }$$ τ g ∝ Φ ( r ) - 1 ∝ r - γ , where $$\Phi$$ Φ is the gravitational potential and r is the particle distance to halo center. Theory predicts $$\gamma =2/3$$ γ = 2 / 3 that leads to a cuspy density profile with an inner slope of −4/3, consistent with the predicted scaling laws from energy cascade. The Press-Schechter mass function and Einasto density profile are just special cases of proposed models. The small scale permanence can be identified due to the scale-independent rate of mass and energy cascade, where density profiles of different halo masses and redshifts converge to the $$-4/3$$ - 4 / 3 scaling law ( $$\rho _h \propto r^{-4/3}$$ ρ h ∝ r - 4 / 3 ) on small scales. Theory predicts the halo number density scales with halo mass as $$\propto m_h^{-1.9}$$ ∝ m h - 1.9 , while the halo mass density scales as $$\propto m_h^{4/9}$$ ∝ m h 4 / 9 . Results were compared against the Illustris simulations. This new perspective provides a theory for nearly universal halo mass functions and density profiles.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Aspects of gravitational portals and freeze-in during reheating

We conduct a systematic investigation of freeze-in during reheating while taking care to include both direct and indirect production of dark matter (DM) via gravitational portals and inflaton decay. Direct production of DM can occur via gravitational scattering of the inflaton, while indirect production occurs through scattering in the Standard Model radiation bath. We consider two main contributions to the radiation bath during reheating. The first, which may dominate at the onset of the reheating process, is produced via gravitational scattering of the inflaton. The second (and more standard contribution) comes from inflaton decay. We consider a broad class of DM production rates parametrized as R χ ∝ T n + 6 / Λ n + 2 , and inflaton potentials with a power-law form V ( ϕ ) ∝ ϕ k about the minimum. We find the relic density produced by freeze-in for each contribution to the Standard Model bath for arbitrary k and n , and compare these with the DM density produced gravitationally by inflaton scattering. We find that freeze-in production from the gravitationally produced radiation bath can exceed that of the conventional decay bath and account for the observed relic density provided that m χ > T RH , with additional k - and n -dependent constraints. For each freeze-in interaction considered, we also find m χ - and T RH -dependent limits on the beyond the Standard Model scale, Λ , for which gravitational production will exceed ordinary freeze-in production. Published by the American Physical Society 2025

Henrich, Stephen E. (ORCID:0000000323669519)↗