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DOE OSTI2014

FSU High Energy Physics

The High Energy Physics group at Florida State University (FSU), which was established in 1958, is engaged in the study of the fundamental constituents of matter and the laws by which they interact. The group comprises theoretical and experimental physicists, who sometimes collaborate on projects of mutual interest. The report highlights the main recent achievements of the group. Significant, recent, achievements of the group’s theoretical physicists include progress in making precise predictions in the theory of the Higgs boson and its associated processes, and in the theoretical understanding of mathematical quantities called parton distribution functions that are related to the structure of composite particles such as the proton. These functions are needed to compare data from particle collisions, such as the proton-proton collisions at the CERN Large Hadron Collider (LHC), with theoretical predictions. The report also describes the progress in providing analogous functions for heavy nuclei, which find application in neutrino physics. The report highlights progress in understanding quantum field theory on a lattice of points in space and time (an area of study called lattice field theory), the progress in constructing several theories of potential new physics that can be tested at the LHC, and interesting new ideas in the theory of the inflationary expansion of the very early universe. The focus of the experimental physicists is the Compact Muon Solenoid (CMS) experiment at CERN. The report, however, also includes results from the D0 experiment at Fermilab to which the group made numerous contributions over a period of many years. The experimental group is particularly interested in looking for new physics at the LHC that may provide the necessary insight to extend the standard model (SM) of particle physics. Indeed, the search for new physics is the primary task of contemporary particle physics, one motivated by the need to explain certain facts, such as the non-zero neutrino masses or the overwhelming astrophysical evidence for an invisible form of matter, called dark matter, that has had a marked effect on the evolution of structure in the universe. The report highlights the main, recent, experimental achievements of the experimental group, which include the investigation of properties of the W and Z bosons; the search for new heavy stable charged particles and the search for a proposed property of nature called supersymmetry in proton-proton collisions that yield high energy photons. In addition, we report a few results from a more general search for supersymmetry at the LHC, initiated by the group. The report also highlights the group's significant contributions, both theoretical and experimental, to the 2012 discovery of the Higgs boson and the measurement of its properties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

Biological and Environmental Research, Earth and Environmental Systems Sciences Division (formerly Climate and Environmental Sciences Division) Strategic Plan: 2018–2023

The Climate and Environmental Sciences Division (CESD) of the Office of Biological and Environmental Research (BER) is managed within the U.S. Department of Energy’s (DOE) Office of Science. CESD is the intellectual home for fundamental research needed to address key uncertainties arising from the interactions and interdependencies of the atmospheric, terrestrial, subsurface, cryospheric, oceanic, and human-energy components of the Earth system. Using an approach to enhance system predictability, CESD-supported research strives to understand and anticipate how environmental stressors behave within a nonlinear system. These stressors, in turn, can influence the robustness and resilience of U.S. energy infrastructures. Particular emphasis also is placed on understanding how natural and human-derived factors contribute to variabilities and trends spanning local to global scales. By treating DOE environmental challenges as part of the Earth system, CESD also addresses DOE’s unique concerns regarding energy contaminants and wastes. The scope of CESD process research spans scales from molecular to global and durations from nanoseconds to many decades, in order for DOE to achieve its goals involving foundational science, environment, energy, economic, and security.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

Extended Gutzwiller Approximation for Nonlocal Electron-Electron and Electron-Boson Correlations (I): The Theory

Understanding electron-electron and electron-photon correlations is central to uncovering the fundamental mechanisms governing material properties, particularly in systems where strong interactions give rise to emergent phenomena such as superconductivity, magnetism, and polaritonic effects. These correlations play a pivotal role in cavity quantum materials, where hybridized light-matter states enable quantum control over electronic properties. However, capturing both local and nonlocal correlations in these systems presents a significant theoretical challenge. In this work, we extend the Gutzwiller wavefunction method to include nonlocal electron-photon and electron-electron interactions, providing a unified framework to study the intricate interplay between these effects. Our approach accurately captures the long-range correlations induced by photon exchange, enabling the exploration of exotic quantum phases and the effects of cavity coupling on electronic structure. By benchmarking the method across coupling regimes, we reveal the critical role of nonlocal correlations in stabilizing phases, such as superconducting and insulating states, that are inaccessible through local interactions alone. This generalized Gutzwiller framework offers a versatile tool for understanding and designing materials that harness the transformative potential of strong light-matter coupling.

36 MATERIALS SCIENCE↗

DOE OSTI2017

BISON

The Idaho National Laboratory (INL) fuel performance code BISON is a finite element code used to simulate nuclear fuel during irradiation. It contains models for different types of fuel and cladding such as fundamental thermo-physical properties, creep, swelling, porosity, and mechanical interaction. The authors contribute to the code through the development of some of these models, such as newly formulated thermal conductivity, phase redistribution, and thermal expansion models. In addition, solver methods are contributed where appropriate to facilitate calculations. The code is controlled by INL through an export-controlled license similar to other DOE nuclear related codes.

Matthews, Christopher↗

DOE OSTI2015

Measurement of the Effective Weak Mixing Angle in p p ¯ → Z / γ * → e + e - Events

We present a measurement of the fundamental parameter of the standard model, the weak mixing angle sin 2 θ ℓ eff which determines the relative strength of weak and electromagnetic interactions, in pp¯→Z/γ*→e + e - events at a center of mass energy of 1.96 TeV, using data corresponding to 9.7 fb -1 of integrated luminosity collected by the D0 detector at the Fermilab Tevatron. The effective weak mixing angle is extracted from the forward-backward charge asymmetry as a function of the invariant mass around the Z boson pole. The measured value of sin 2 θ ℓ eff =0.23147±0.00047 is the most precise measurement from light quark interactions to date, with a precision close to the best LEP and SLD results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Causality, unitarity and symmetry in effective field theory

Sum rules in effective field theories, predicated upon causality, place restrictions on scattering amplitudes mediated by effective contact interactions. Through unitarity of the S -matrix, these imply that the size of higher dimensional corrections to transition amplitudes between different states is bounded by the strength of their contributions to elastic forward scattering processes. This places fundamental limits on the extent to which hypothetical symmetries can be broken by effective interactions. All analysis is for dimension 8 operators in the forward limit. Included is a thorough derivation of all positivity bounds for a chiral fermion in SU(2) and SU(3) global symmetry representations resembling those of the Standard Model, general bounds on flavour violation, new bounds for interactions between particles of different spin, inclusion of loops of dimension 6 operators and illustration of the resulting strengthening of positivity bounds over tree-level expectations, a catalogue of supersymmetric effective interactions up to mass dimension 8 and 4 legs and the demonstration that supersymmetry unifies the positivity theorems as well as the new bounds.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Does mycorrhizal symbiosis determine the climate niche for Populus as a bioenergy feedstock?

This is the final technical and scientific report for DE-SC0016097, in which we investigated the role of symbiotic fungi in determining the climatic niche of trees. While microbes have long been viewed as agents of disease, recent explorations of the microbiome have led biologists to recognize that beneficial microbes play an equally vital role in maintaining the health of plants and animals. Perhaps the most ubiquitous form of beneficial interaction in terrestrial ecosystems occurs between fungi and plant roots. These fungus-root, or “mycorrhizal”, symbioses involve the reciprocal exchange of plant sugars for soil nutrients obtained by the fungus, such as nitrogen and phosphorous, which are critical for plant growth. It is known that mycorrhizal associations are widespread - occurring in approximately 90% of plant species - and diverse, with single plants able to associate simultaneously with over 100 species of fungi. Despite this, the ecological factors that control large-scale distribution and abundance of mycorrhizal symbioses are still poorly known, making it challenging to predict how mycorrhizal symbioses may change in future climate conditions or how these fungal communities might be manipulated to improve regional agriculture or forestry projects. In this research project we focused on a native North American tree with strong biofuel potential – Populus – to answer fundamental questions about the role of climate, soil environment, and mycorrhizal interactions in determining growth and competition in plant communities. Populus provides a unique opportunity for ecologically relevant experiments because of its widespread distribution across North America and its natural variability in mycorrhizal association types.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Shaker-structure interaction modeling and analysis for nonlinear force appropriation testing

Nonlinear force appropriation is an extension of its linear counterpart where sinusoidal excitation is applied to a structure with a modal shaker and phase quadrature is achieved between the excitation and response. While a standard practice in modal testing, modal shaker excitation has the potential to alter the dynamics of the structure under test. Previous studies have been conducted to address several concerns, but this work specifically focuses on a shaker-structure interaction phenomenon which arises during the force appropriation testing of a nonlinear structure. Under pure-tone sinusoidal forcing, a nonlinear structure may respond not only at the fundamental harmonic but also potentially at sub- or superharmonics, or it can even produce aperiodic and chaotic motion in certain cases. Shaker-structure interaction occurs when the response physically pushes back against the shaker attachment, producing non-fundamental harmonic content in the force measured by the load cell, even for pure tone voltage input to the shaker. This work develops a model to replicate these physics and investigates their influence on the response of a nonlinear normal mode of the structure. Experimental evidence is first provided that demonstrates the generation of harmonic content in the measured load cell force during a force appropriation test. This interaction is replicated by developing an electromechanical model of a modal shaker attached to a nonlinear, three-mass dynamical system. Several simulated experiments are conducted both with and without the shaker model in order to identify which effects are specifically due to the presence of the shaker. Finally, the results of these simulations are then compared to the undamped nonlinear normal modes of the structure under test to evaluate the influence of shaker-structure interaction on the identified system’s dynamics.

42 ENGINEERING↗

DOE OSTI2025

Cooperative effects in thin dielectric layers: Long-range Dicke superradiance

The realization and control of collective quantum effects so far have predominantly focused on cold atomic ensembles. Quantum photonic platforms, with their engineered Green's functions and integration capability of advanced solid-state quantum emitters, provide opportunities to explore regimes of light-matter interaction beyond the scope of atomic systems. In this work, we demonstrate that embedding quantum emitters within a thin dielectric layer fundamentally alters their collective radiative behavior. The optical modes in the dielectric layer mediate long-range dipole-dipole interactions between emitters, enabling both total and directional superradiance between emitters separated by several wavelengths. Crucially, this mechanism supports Dicke superradiance even in parameter regimes where standard settings fail to support an interaction, unveiling a dimensionality-driven enhancement of cooperative effects. By bridging many-body quantum optics and photonic engineering, our work reveals a distinct interplay between surrounding dimensionality and collective quantum dynamics. Experimental realization of these predictions, readily achievable in solid-state quantum optics platforms, paves the way for scalable, directional quantum light sources and frontiers in many-body quantum optics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Methane-Linked Mechanisms of Electron Uptake from Cathodes by Methanosarcina barkeri

Methanosarcinales , a lineage of cytochrome-containing methanogens, have recently been proposed to participate in direct extracellular electron transfer interactions within syntrophic communities. To shed light on this phenomenon, we applied electrochemical techniques to measure electron uptake from cathodes by Methanosarcina barkeri , which is an important model organism that is genetically tractable and utilizes a wide range of substrates for methanogenesis. Here, we confirm the ability of M. barkeri to perform electron uptake from cathodes and show that this cathodic current is linked to quantitative increases in methane production. The underlying mechanisms we identified include, but are not limited to, a recently proposed association between cathodes and methanogen-derived extracellular enzymes (e.g., hydrogenases) that can facilitate current generation through the formation of reduced and diffusible methanogenic substrates (e.g., hydrogen). However, after minimizing the contributions of such extracellular enzymes and using a mutant lacking hydrogenases, we observe a lower-potential hydrogen-independent pathway that facilitates cathodic activity coupled to methane production in M. barkeri . Our electrochemical measurements of wild-type and mutant strains point to a novel and hydrogenase-free mode of electron uptake with a potential near -484 mV versus standard hydrogen electrode (SHE) (over 100 mV more reduced than the observed hydrogenase midpoint potential under these conditions). These results suggest that M. barkeri can perform multiple modes (hydrogenase-mediated and free extracellular enzyme-independent modes) of electrode interactions on cathodes, including a mechanism pointing to a direct interaction, which has significant applied and ecological implications. IMPORTANCE Methanogenic archaea are of fundamental applied and environmental relevance. This is largely due to their activities in a wide range of anaerobic environments, generating gaseous reduced carbon that can be utilized as a fuel source. While the bioenergetics of a wide variety of methanogens have been well studied with respect to soluble substrates, a mechanistic understanding of their interaction with solid-phase redox-active compounds is limited. This work provides insight into solid-phase redox interactions in Methanosarcina spp. using electrochemical methods. We highlight a previously undescribed mode of electron uptake from cathodes that is potentially informative of direct interspecies electron transfer interactions in the Methanosarcinales .

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2014

Computational insights of water droplet transport on graphene sheet with chemical density

Surface gradient has been emerging as an intriguing technique for nanoscale particle manipulation and transportation. Owing to its outstanding and stable chemical properties, graphene with covalently bonded chemical groups represents extraordinary potential for the investigation of nanoscale transport in the area of physics and biology. Here, we employ molecular dynamics simulations to investigate the fundamental mechanism of utilizing a chemical density on a graphene sheet to control water droplet motions on it. Simulation results have demonstrated that the binding energy difference among distinct segment of graphene in terms of interaction between the covalently bonded oxygen atoms on graphene and the water molecules provides a fundamental driving force to transport the water droplet across the graphene sheet. Also, the velocity of the water droplet has showed a strong dependence on the relative concentration of oxygen atoms between successive segments. Furthermore, a multi-direction channel provides insights to guide the transportation of objects towards a targeted position, separating the mixtures with a system of specific chemical functionalization. Our findings shed illuminating lights on the surface gradient method and therefore provide a feasible way to control nanoscale motion on the surface and mimic the channelless microfluidics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2026

Isolating solvent–solute hydrogen bonding interactions via 2D IR solvation shell spectroscopy

The solvation shell around a solute is a fundamental feature of liquid-phase solutions, determining the behavior and properties of both the solute and the overall solution. Direct experimental measurements of the solvation shell properties are challenging due to the strong signals generated from the bulk solvent, which overwhelm the small contribution of the solvation shell. Here, we use ultrafast two dimensional infrared (2D IR) spectroscopy and intermolecular cross-peaks to isolate the IR absorption spectrum of methanol molecules in the solvation shell surrounding the solute N-methylacetamide. We demonstrate that the intermolecular coupling between the solvent and solute vibrations is indirectly mediated by a low-frequency hydrogen-bonding mode, suggesting an important mechanism for anharmonic coupling induced by hydrogen bonds. From the relative frequency shifts and cross-peak anisotropy, we find that methanol molecules surrounding N-methylacetamide form stronger and distinctly oriented hydrogen bonds than those in the bulk solvent. Here, we also compare these results with the solvent spectra of the solute N,N-dimethylacetamide to investigate how solute structural changes alter the solvation shell and the contribution of N–H hydrogen bond donation. Our results are supported by molecular dynamics simulations, which provide detailed insights into the hydrogen-bonding distributions. Through these results, we demonstrate 2D solvation shell spectroscopy to be a valuable method for investigating solvation structures and dynamics without interference from the bulk solvent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Low-energy electronic interactions in ferrimagnetic Sr 2 CrReO 6 thin films

We reveal in this study the fundamental low-energy landscape in the ferrimagnetic Sr 2 CrReO 6 double perovskite and describe the underlying mechanisms responsible for the three low-energy excitations below 1.4 eV. Here, based on resonant inelastic x-ray scattering and magnetic dynamics calculations, and experiments collected from both Sr 2 CrReO 6 powders and epitaxially strained thin films, we reveal a strong competition between spin-orbit coupling, Hund’s coupling, and the strain-induced tetragonal crystal field. Here, we also demonstrate that a spin-flip process is at the origin of the lowest excitation at 200 meV, and we bring insights into the predicted presence of orbital ordering in this material. We study the nature of the magnons through a combination of ab initio and spin-wave theory calculations, and show that two nondegenerate magnon bands exist and are dominated either by rhenium or chromium spins. The rhenium band is found to be flat at about 200 meV (±25 meV) through X-L-W-U high-symmetry points and is dispersive toward Γ.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

On Transient Time Reduction of a 2.4 GHz Relativistic Traveling Wave Oscillator with a Hollow Slow Wave System

The decrease in the transient time in a relativistic microwave traveling wave oscillator, in which the interaction is carried out between the relativistic electron beam and the fundamental harmonic of the forward-traveling electromagnetic wave slowed down to the speed of light in the hollow slow wave system system, has been numerically and experimentally demonstrated. It is shown that in this mode a high beam-to-wave coupling impedance up to ≈10 Ω is achieved, which ensures reduction of the transient time. In the experiment, a microwave peak power of 210 ± 30 MW at a frequency of 2.45 GHz in a guiding magnetic field of 0.16 T was obtained. The efficiency of the oscillator to convert the power of the electron beam into microwave power was 17 ± 3%. At the beam current pulse duration of about 50 ns the microwave pulse duration was about 20 ns and the transient time was about 22 ns.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Elementary Particle Interactions (Final Technical Report)

Neutrinos provide a promising window to probe a wide range of fundamental physics. The past two decades have brought several remarkable neutrino-related discoveries indicating that one may answer the most sought after question of our matter dominated universe from within the neutrino sector. The global neutrino physics program is currently focused on studying neutrino oscillations, and to understand the implications of this phenomena on the evolution of the universe. Addressing all of these open questions and completing the story of neutrino oscillations requires technological advances in neutrino detection. Liquid argon time projection chambers (LArTPCs) are imaging detectors that offer fine-grained tracking, calorimetry and scalability, and are increasingly favored for the next generation of large neutrino detectors. Through leading technical and scientific roles on MicroBooNE, Short-Baseline Near Detector (SBND) and the Deep Underground Neutrino Experiment (DUNE) LArTPC neutrino experiments, the research program supported through this funding has significantly advanced the understanding of neutrino properties along with technical development of LArTPCs for both short- and long-baseline neutrino oscillations physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Anomalous two-photon Compton scattering

Abstract X-ray free-electron lasers can generate radiation pulses with extreme peak intensities at short wavelengths. This enables the investigation of laser–matter interactions in a regime of high fields, yet at a non-relativistic ponderomotive potential, where ordinary rules of light–matter interaction may no longer apply and nonlinear processes are starting to become observable. Despite small cross-sections, first nonlinear effects in the hard x-ray regime have recently been observed in solid targets, including x-ray-optical sum-frequency generation (XSFG), x-ray second harmonic generation (XSHG) and two-photon Compton scattering (2PCS). Nonlinear interactions of bound electrons in the x-ray range are fundamentally different from those dominating at optical frequencies. Whereas in the optical regime nonlinearities are predominantly caused by anharmonicities of the atomic potential in the chemical bonds, x-ray nonlinearities far above atomic resonances are expected to be due to nonlinear oscillations of quasi-free electrons, including inner-shell atomic electrons. While the quasi-free-electron model agrees reasonably well with the experimental data for XSFG and XSHG, 2PCS measurements have led to unexpected results: the energy of the nonlinearly scattered photons from non-relativistic electrons shows a substantial unexpected red shift in addition to the Compton shift that is well beyond that predicted by a nonlinear quantum electrodynamics model for free electrons. A potential explanation for the spectral broadening is based on a previously unexplored scattering process that involves the whole atom rather than just quasi-free electrons. A first simulation that includes the atomic binding potential was successful in describing a broadening of the spectrum of the nonlinearly scattered photons to longer wavelengths for soft x-rays. However, the same model does not show any broadening at hard x-ray wavelengths, which is in agreement with other simulation approaches. To this point no calculation has been able to reproduce the experimentally observed broadening. Here we present further experimental data of 2PCS for an extended parameter range using additional diagnostics. In particular, we present measurements of the electron momentum distribution during the interaction that strongly suggest that the spectral broadening is not caused by an increased plasma temperature. We extend our measurement of the magnitude of the red shift in beryllium to > 1.9 k e V in addition to the Compton shift expected for free electrons and expand the measurement of the angular distribution to include forward scattering angles. We also present first measurements of 2PCS from diamond.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2014

A HYBRID MODE MODEL OF THE BLAZHKO EFFECT, SHOWN TO ACCURATELY FIT KEPLER DATA FOR RR Lyr

The waveform for Blazhko stars can be substantially different during the ascending and descending parts of the Blazhko cycle. A hybrid model, consisting of two component oscillators of the same frequency, is proposed as a means to fit the data over the entire cycle. One component exhibits a sawtooth-like velocity waveform while the other is nearly sinusoidal. One method of generating such a hybrid is presented: a nonlinear model is developed for the first overtone mode, which, if excited to large amplitude, is found to drop strongly in frequency and become highly non-sinusoidal. If the frequency drops sufficiently to become equal to the fundamental frequency, the two can become phase locked and form the desired hybrid. A relationship is assumed between the hybrid mode velocity and the observed light curve, which is approximated as a power series. An accurate fit of the hybrid model is made to actual Kepler data for RR Lyr. The sinusoidal component may tend to stabilize the period of the hybrid which is found in real Blazhko data to be extremely stable. It is proposed that the variations in amplitude and phase might result from a nonlinear interaction with a third mode, possibly a nonradial mode at 3/2 the fundamental frequency. The hybrid model also applies to non-Blazhko RRab stars and provides an explanation for the light curve bump. A method to estimate the surface gravity is also proposed.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

Spectroscopic Imaging of Molecular Functions at Surfaces

The focus of this project is on understanding the nature of intramolecular chemical bonds and intermolecular interactions using a unique technique developed in 2014 under DOE support: the inelastic tunneling probe (itProbe) with the scanning tunneling microscope (STM). By operating the STM at ~0.6 K, high energy resolution of ~0.6 meV is achieved, in combination with the inherent atomic scale spatial resolution of the STM. High energy and spatial resolutions of inelastic electron tunneling spectroscopy (IETS) with the STM enables itProbe to monitor energy shifts in the carbon monoxide (CO) hindered translational vibration as the CO-tip is scanned over an adsorbed molecule. Images are obtained that relate to the two-dimensional slices of the potential energy surface for different heights above the substrate, rendering a tomography of the molecule. Comparison of experimental results to density functional theory (DFT) calculations relates itProbe images to the potential energy surface of the CO-tip probing the potential of the adsorbed molecule. Results from this project provide information on the electronic, vibrational, and structural properties of single molecules, as well as how these properties relate to the reactivity, chemical sensing, self-assembly, and other chemical interactions of higher complexity. This research leads to new insights into the fundamental principles of chemistry that can be applied to the understanding of a broad range of phenomena, such as surface chemistry and catalysis, environmental processes and energy generation, electronic processing and electron transport through molecules as in molecular electronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗