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Strong Interaction Dynamics and Fermi $β$ Decay in the Nucleon and the Nucleus

Nuclear super-allowed β decay has been used to obtain tight limits on the value of the CKM matrix element V ud that is important for unitarity tests and, therefore, for tests of the standard model. Current requirements on precision are so intense that effects formerly thought too small to matter are now considered relevant. This article is a brief review of personal efforts to include the effects of strong interactions on Fermi β decay. First, I examine the role of isospin violation in the decay of the neutron. The size of the necessary correction depends upon detailed strong-interaction dynamics. The isospin violating parts of the nucleon wave function, important at the low energy of β decay, can be constrained by data taken at much higher energies, via measurements, for example, of ed → e'π ± + X reactions at Jefferson Laboratory. The next point of focus is on the role of nuclear short-ranged correlations, which affect the value of the correction needed to account for isospin violation in extracting the value of V ud . The net result is that effects previously considered as irrelevant are now considered relevant for both neutron and nuclear β decay.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Portable Ice Nucleation Experiment (PINE): a new online instrument for laboratory studies and automated long-term field observations of ice-nucleating particles

Atmospheric ice-nucleating particles (INPs) play an important role in determining the phase of clouds, which affects their albedo and lifetime. A lack of data on the spatial and temporal variation of INPs around the globe limits our predictive capacity and understanding of clouds containing ice. Automated instrumentation that can robustly measure INP concentrations across the full range of tropospheric temperatures is needed in order to address this knowledge gap. In this study, we demonstrate the functionality and capacity of the new Portable Ice Nucleation Experiment (PINE) to study ice nucleation processes and to measure INP concentrations under conditions pertinent for mixed-phase clouds, with temperatures from about -10 to about -40°C. PINE is a cloud expansion chamber which avoids frost formation on the cold walls and thereby omits frost fragmentation and related background ice signals during the operation. The development, working principle and treatment of data for the PINE instrument is discussed in detail. We present laboratory-based tests where PINE measurements were compared with those from the established AIDA (Aerosol Interaction and Dynamics in the Atmosphere) cloud chamber. Within experimental uncertainties, PINE agreed with AIDA for homogeneous freezing of pure water droplets and the immersion freezing activity of mineral aerosols. Results from a first field campaign conducted at the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) observatory in Oklahoma, USA, from 1 October to 14 November 2019 with the latest PINE design (a commercially available PINE chamber) are also shown, demonstrating PINE's ability to make automated field measurements of INP concentrations at a time resolution of about 8 min with continuous temperature scans for INP measurements between -10 and -30°C. During this field campaign, PINE was continuously operated for 45 d in a fully automated and semi-autonomous way, demonstrating the capability of this new instrument to also be used for longer-term field measurements and INP monitoring activities in observatories.

54 ENVIRONMENTAL SCIENCES↗

Models and Algorithms for Equilibrium Analysis of Mixed-Material Nucleic Acid Systems

Dynamic programming algorithms within the NUPACK software suite enable analysis of equilibrium base-pairing properties for complex and test tube ensembles containing arbitrary numbers of interacting nucleic acid strands. Currently, calculations are limited to single-material systems that are either all-RNA or all-DNA. Here, to enable analysis of mixed-material systems that are critical for modern applications in vitro, in situ, and in vivo, we develop physical models and dynamic programming algorithms that allow the material of the system to be specified at nucleotide resolution. Free energy parameter sets are constructed for both RNA/DNA and RNA/2'OMe-RNA mixed-material systems by combining available empirical mixed-material parameters with single-material parameter sets to enable treatment of the full complex and test tube ensembles. New dynamic programming recursions account for the material of each nucleotide throughout the recursive process. For a complex with N nucleotides, the mixed-material dynamic programming algorithms maintain the O(N 3 ) time complexity of the single-material algorithms, enabling efficient calculation of diverse physical quantities over complex and test tube ensembles (e.g., complex partition function, equilibrium complex concentrations, equilibrium base-pairing probabilities, minimum free energy secondary structure(s), and Boltzmann-sampled secondary structures) at a cost increase of roughly 2.0-3.5×. The results of existing single-material algorithms are exactly reproduced when applying the new mixed-material algorithms to single-material systems. Accuracy is significantly enhanced using mixed-material models and algorithms to predict RNA/DNA and RNA/2'OMe-RNA duplex melting temperatures from the experimental literature as well as RNA/DNA melt profiles from new experiments. In conclusion, mixed-material analyses can be performed online using the NUPACK web app (www.nupack.org) or locally using the NUPACK Python module.

2′OMe-RNA↗

Spinodal enhancement of fluctuations in nucleus-nucleus collisions

Subensemble Acceptance Method (SAM) [1, 2] is an essential link between measured event-by-event fluctuations and their grand canonical theoretical predictions such as lattice QCD. The method allows quantifying the global conservation law effects in fluctuations. In its basic formulation, SAM requires a sufficiently large system such as created in central nucleus-nucleus collisions and sufficient space-momentum correlations. Directly in the spinodal region of the First Order Phase Transition (FOPT) different approximations should be used that account for finite size effects. Thus, we present the generalization of SAM applicable in both the pure phases, metastable and unstable regions of the phase diagram [3]. Obtained analytic formulas indicate the enhancement of fluctuations due to crossing the spinodal region of FOPT and are tested using molecular dynamics simulations. A rather good agreement is observed. Using transport model calculations with interaction potential we show that the spinodal enhancement of fluctuations survives till the later stages of collision via the memory effect [4]. However, at low collision energies the space-momentum correlation is not strong enough for this signal to be transferred to second and third order cumulants measured in momentum subspace. This result agrees well with recent HADES data on proton number fluctuations at $\sqrt{S_{NN}}$ = 2.4 GeV which are found to be consistent with the binomial momentum space acceptance [5].

Poberezhnyuk, Roman↗

Coupled Aerodynamic and Hydrodynamic Hybrid Simulation of Floating Offshore Wind Turbines

The development and innovation of floating offshore wind energy in the U.S. requires detailed high-fidelity observations and measurements of turbine and platform loading due to wind, waves, and currents. However, full-scale and quasi-full-scale experiments require significant financial and temporal investments for construction, experimental testing, and long-term field campaigns. To support the commercial advancement of the offshore wind energy industry, specialized wind tunnel and wave basin experimental facilities are critical to be able to test FOWT designs at small scale under controlled conditions prior to full-scale deployment. Oregon State University (OSU) is internationally known as a leader in water and energy research, development, and testing. The O.H. Hinsdale Wave Research Laboratory (HWRL) and the Wallace Energy Systems and Renewables Facility (WESRF) at OSU have extensive experience building, modeling, monitoring, controlling, and actuating scaled systems. Experiments on wave-structure interaction have been performed at the HWRL since its establishment in 1972. Studies have included the interaction of waves with coastal structures (breakwaters, seawalls, buildings, cylinders, bridges, fixed foundations of offshore wind turbines, etc.) and with floating structures (e.g., wave energy converters, maneuvering of vessels, etc.). Hinsdale is actively used by marine energy technology developers, both for private testing and OSU-collaborative research projects. However, despite the availability of several large-scale facilities for hydrodynamic testing (at OSU and elsewhere in the U.S.), existing experimental laboratories are generally limited in their ability to accurately generate combined wind and wave conditions. The simulation of both wind and waves in experimental testing is complicated due to a number of constraints, including: [i] incompatible similitude laws governing the wind and waves for scaled experiments, [ii] producing accurate wind over a large enough control volume via fans, and [iii] generating wind that reasonably represents the atmospheric boundary layer in existing wave basins/flumes. Hence, physical test data providing insight into the simultaneous wave- and wind-structure response of floating offshore wind components can be difficult to generate. Given the aforementioned challenges in classic hydrodynamic experiments, the motivation of this project is to establish a real-time hybrid simulation (RTHS) approach that can apply aero- and hydro-dynamic loading by augmenting wave-only experimental facilities with virtual aerodynamic forces through numerical models representing the remaining dynamic forces. RTHS is a physical-numerical approach that partitions a prototype system into physical and numerical sub-assemblies that interact with each other through actuators and sensors in real time. In coupling physical and numerical models, the hybrid simulation approach applied herein is ideal for problems with: (1) structures subjected to different scaling laws, such as floating offshore wind turbines subjected to combined aero/hydro-dynamic loading, (2) structures that are too large or complex to be tested entirely in a laboratory setting, such as deep-water mooring applications, and (3) component testing, where the behavior of a portion of the assembly is uncertain but still interacts with other portions of the structure, such as testing the fatigue life of turbine blades. Few U.S. experimental facilities are able to test simultaneous aero- and hydro-dynamic loading and none can accurately produce aero/hydro-dynamic response on scaled FOWT models due to conflicting similitude laws between the wind (commonly Reynolds) and the waves (commonly Froude). To aid in accelerating the development of the U.S. floating offshore industry, there is a significant need to develop a flexible, modular framework that can expand the capacities of existing wave-only laboratories. The project goal is to demonstrate a hydrodynamic real-time hybrid simulation (hydro-RTHS) framework that couples numerical wind and physical waves acting on a FOWT, thus representing simultaneous aero/hydro-dynamic loading. The FOWT is partitioned into a full-scale numerical sub-assembly associated with the aerodynamics and a model-scale physical sub-assembly associated with the hydrodynamics. The numerical-physical partition associated with hydro-RTHS mitigates scaling constraints by supplying different scaling laws to the physical and numerical sub-assemblies. Herein, length, force, and time are scaled and exchanged between the sub-assemblies using Froude scaling to represent the open-channel flow in the physical sub-assembly. Other similitude laws could also be utilized depending on the problem definition. It is envisioned that the ability to model FOWTs under waves and wind, with mitigation of similitude distortions, would result in reduced development costs (currently, FOWT concept development is performed with full-size pro- totypes at enormous expense and risk) and increase the reliability of the FOWT industry (since extreme wave and wind conditions and contingency events can be tested safely in a controlled environment).

16 TIDAL AND WAVE POWER↗

Improving Predictability of Mixed-Phase Clouds and Aerosol Interactions in the Community Earth System Model (CESM) with ARM Measurements

The objective of this project is to improve the simulation and predictability of mixed-phase clouds and aerosol interactions in the Community Earth System Model (CESM) through comparisons with the DOE ARM observations. There are four major goals of the proposed study: (1) Improve the representation of ice microphysical processes in mixed-phase clouds; (2) Develop a long-term multi-sensor mixed-phase cloud dataset; (3) Test the performance of improved ice microphysics in CESM-CAM5 with the ARM data; and (4) Examine mixed-phase cloud microphysics-aerosol-dynamics-radiation interactions in CESM-CAM5. In this project, we have (1) Improved the representation of ice microphysical processes in mixed-phase clouds that include ice nucleation, ice depositional growth through the Wegener–Bergeron–Findeisen (WBF) process, feedbacks between cloud microphysics, dynamics and radiation, and provides links to aerosol properties in the Community Earth System Model (CESM)-Community Atmosphere Model version 5 (CAM5); (2) Developed a long-term multi-sensor mixed-phase cloud dataset. The mixed-phase cloud retrieval algorithms are improved by refining the phase determinations and ice number concentration retrievals. A multi-year mixed-phase cloud observation dataset (1999-2004; October 2013-February 2017) is regenerated at the ARM Barrow site with the improved algorithms. The dataset has been used in the global model evaluation to improve the model parameterizations; (3) Tested the performance of improved ice microphysics in CESM-CAM5 with the ARM data. CESM-CAM5 is run in the DOE Cloud-Associated Parameterizations Testbed (CAPT) and in the single-column model (SCM) mode to facilitate comparison with ARM observations. Multi-year CAPT simulations of seasonal variations of cloud microphysical properties, cloud liquid water path (LWP) and ice water path (IWP), cloud longwave and shortwave forcings, cloud occurrence frequency are evaluated against the ARM multi-sensor mixed-phase cloud retrievals; and (4) Examined mixed-phase cloud microphysics-aerosol-dynamics-radiation interactions in CESM-CAM5 that include the impacts of different ice nucleation mechanisms, sensitivity to dust IN concentration, treatment of the WBF process on mixed-phase cloud properties. Aerosol effect on mixed-phase clouds through the liquid phase (droplet activation) and ice phase processes (e.g., the glaciation indirect effect) is investigated.

54 ENVIRONMENTAL SCIENCES↗

Using an Atom Interferometer to Infer Gravitational Entanglement Generation

If gravitational perturbations are quantized into gravitons in analogy with the electromagnetic field and photons, the resulting graviton interactions should lead to an entangling interaction between massive objects. We suggest a test of this prediction. To do this, we introduce the concept of interactive quantum information sensing. This novel sensing protocol is tailored to provable verification of weak dynamical entanglement generation between a pair of systems. We show that this protocol is highly robust to typical thermal noise sources. The sensitivity can moreover be increased both using an initial thermal state and/or an initial phase of entangling via a non-gravitational interaction. We outline a concrete implementation testing the ability of the gravitational field to generate entanglement between an atomic interferometer and mechanical oscillator. Preliminary numerical estimates suggest that near-term devices could feasibly be used to perform the experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Quantifying uncertainties due to irreducible three-body forces in deuteron-nucleus reactions

Deuteron-induced nuclear reactions are an essential tool for probing the structure of nuclei as well as astrophysical information such as (n, γ) cross sections. The deuteron-nucleus system is typically described within a Faddeev three-body model consisting of a neutron (n), a proton (p), and the target nucleus (A) interacting through pairwise phenomenological potentials. While Faddeev techniques enable the exact description of the three-body dynamics, their predictive power is limited in part by the omission of irreducible neutron-proton-nucleus three-body force (n–p–A 3BF). Here, our goal is to quantify systematic uncertainties stemming from the reduction of deuteron-nucleus (d + A) dynamics to a picture of three pointlike nuclear clusters interacting via pairwise nucleon-nucleus forces, using as testing grounds d + α scattering and the 6 Li ground state. We particularly focus on quantifying uncertainties arising from the full antisymmetrization of the (A + 2)-body system with the target nucleus fixed in its ground state. We adopt the ab initio no-core shell model coupled with the resonating group method (NCSM/RGM) to compute microscopic n–α and p–α interactions, and use them in a three-body description of the d + α system by means of momentum-space Faddeev-type equations. Simultaneously, we also carry out ab initio calculations of d + α scattering and 6 Li ground state by means of six-body NCSM/RGM calculations to serve as a benchmark for the three-body model predictions given by the Faddeev calculations. By comparing the Faddeev and NCSM/RGM results, we show that the irreducible n–p–α 3BF has a non-negligible effect on bound state and scattering observables alike. Specifically, the Faddeev approach yields a 6 Li ground state that is approximately 600 keV shallower than the one obtained with the NCSM/RGM. Additionally, the Faddeev calculations for d + α scattering yield a 3 + resonance that is located approximately 400 keV higher in energy compared to the NCSM/RGM result. The shape of the d + α angular distributions computed using the two approaches also differ, owing to the discrepancy in the predictions of the 3 + resonance energy. The Faddeev three-body model predictions for d + α scattering and 6 Li using microscopic n–α and p–α potentials differ from those computed microscopically with the NCSM/RGM. These discrepancies are due to the n–p–α 3BF, which arises from two-nucleon exchange terms in the microscopic d–α interaction and are not accounted for in the three-body model Faddeev calculations. This study lays the foundation for future parametrizations of the 3BF due to Pauli exclusion principle effects in improved three-body calculations of deuteron-induced reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Isotopic discrepancy in microscopic fusion of 16 O + 40,48 Ca

We present a detailed comparison of fusion in 16 O + 40,48 Ca within a fully microscopic time-dependent Hartree-Fock framework over sub-, near-, and above-barrier energies. While 16 O + 40 Ca fusion cross sections are reproduced within the available experimental energy range, calculations for the neutron-rich 16 O + 48 Ca system systematically overestimate the measured near-barrier cross sections. The discrepancy persists across the tested energy density functionals, indicating that it is not tied to a particular parametrization. Analysis of the dynamical interaction potentials reveals an outward shift and softening of the barrier region at the lowest collision energies. These results are then compared to a frozen density description where the barrier modifications are absent and the predicted cross sections are brought closer to experiment. Here, this demonstrates that the observed discrepancy is closely linked to dynamical surface rearrangement and isovector effects, and highlights the sensitivity of low-energy fusion to both the structure and dynamics of neutron-rich nuclei. This suggests that limitations in the isovector sector of conventional Skyrme EDFs in describing the structure of 48 Ca, as highlighted by CREX, are also manifested in the fusion dynamics of the 16 O + 48 Ca system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The use of idealised experiments in testing a new convective parametrization: Performance of CoMorph-A

CoMorph is a new mass-flux convection parametrization under development at the Met Office designed for use within the Unified Model and its successor model, LFRic. Use of a three-dimensional idealised model enables controlled tests of the performance of the scheme across different regimes. This includes the interaction between the physical parametrizations and the resolved dynamics, allowing study of the emergent organisation of convection on the resolved scale. A selection of well-known cases is revisited here, with the purpose of documenting the extent to which CoMorph captures a range of important, but challenging, behaviour such as the diurnal cycle and sensitivity to tropospheric moisture. Simulations using CoMorph-A, a new physics package, that has been demonstrated to perform well at numerical weather prediction (NWP) and climate scales, are compared against the current global atmosphere configuration and high-resolution results. In addition to an entirely new convection scheme, the package of changes includes significant changes to the cloud, microphysics, and boundary-layer parametrizations. Recognising that CoMorph-A is the first version of a scheme that will continue to be substantially developed and to obtain good performance, compromises in tuning have had to be made. These idealised tests therefore show what works well in this configuration, and what areas will require further work. As such, it is quite a demanding testbed and could be viewed as some of the equipment required for a “convective playground”.

54 ENVIRONMENTAL SCIENCES↗

Assessing complexity and dynamics in epidemics: geographical barriers and facilitators of foot-and-mouth disease dissemination

Introduction: Physical and non-physical processes that occur in nature may influence biological processes, such as dissemination of infectious diseases. However, such processes may be hard to detect when they are complex systems. Because complexity is a dynamic and non-linear interaction among numerous elements and structural levels in which specific effects are not necessarily linked to any one specific element, cause-effect connections are rarely or poorly observed. Methods: To test this hypothesis, the complex and dynamic properties of geo-biological data were explored with high-resolution epidemiological data collected in the 2001 Uruguayan foot-and-mouth disease (FMD) epizootic that mainly affected cattle. County-level data on cases, farm density, road density, river density, and the ratio of road (or river) length/county perimeter were analyzed with an open-ended procedure that identified geographical clustering in the first 11 epidemic weeks. Two questions were asked: (i) do geo-referenced epidemiologic data display complex properties? and (ii) can such properties facilitate or prevent disease dissemination? Results: Emergent patterns were detected when complex data structures were analyzed, which were not observed when variables were assessed individually. Complex properties–including data circularity–were demonstrated. The emergent patterns helped identify 11 counties as ‘disseminators’ or ‘facilitators’ (F) and 264 counties as ‘barriers’ (B) of epidemic spread. In the early epidemic phase, F and B counties differed in terms of road density and FMD case density. Focusing on non-biological, geographical data, a second analysis indicated that complex relationships may identify B-like counties even before epidemics occur. Discussion: Geographical barriers and/or promoters of disease dispersal may precede the introduction of emerging pathogens. If corroborated, the analysis of geo-referenced complexity may support anticipatory epidemiological policies.

60 APPLIED LIFE SCIENCES↗

A thin-walled composite beam model for light-weighted structures interacting with fluids

A thin-walled beam model is proposed for structures of variable cross-section, which can be either open or closed and includes multicellular cross-sections with either isotropic or orthotropic materials. The proposed model does not require any priori definition of cross-sectional warping which instead results from the solution of the problem. To achieve that a special deformation pattern is superimposed on the bending deformation described by Euler–Bernoulli beam theory. All sectional properties are automatically incorporated in the analysis as a result of the usual variational formulation of the system of equations. The proposed model is specifically designed to simulate the dynamics of wind/hydrokinetic turbine blade with low computational cost, especially in fluid–structure interaction (FSI) simulation. A number of test cases have been carried out to validate the proposed structural model which show good agreement between the results obtained her e and the solutions available in literature. Finally, FSI simulation of a hydrokinetic blade under field condition is carried out to illustrate the capability of the current thin-walled beam model in practice.

42 ENGINEERING↗

Quantifying Membrane Structure and Dynamics during Bioproduct Production in Zymomonas mobilis by Molecular Simulation

The conversion of lignocellulosic biomass into biofuels and bioproducts by microbial biorefineries is central to a sustainable chemical industry. Zymomonas mobilis is one such biorefinery chassis and is resistant to ethanol stress, leading to its use in biomass conversion to biofuels and bioproducts. However, Z. mobilis growth is often inhibited by organic acids, aldehydes, alcohols, ketones, and amides found in biomass hydrolysate. The resulting slow growth inhibits production and as a result drives up the price for the resulting products. One hypothesis is that these molecules interact with or disrupt the bacterial membrane, triggering stress responses and hindering growth. To test this hypothesis at the molecular level, we employ all-atom molecular dynamics (MD) simulations to investigate lignocellulose-derived small molecules and their impact on a biologically relevant Z. mobilis membrane model. Simulations were conducted across a range of inhibitor concentrations from 0 to 2.5 mol %, analyzing key membrane properties such as area per lipid (APL), membrane thickness, lipid-order parameter (−S CH ), lateral diffusion coefficient (D xy ), and permeability coefficient (Pm). From simulation, we observed altered membrane structure and dynamics at these modest small molecule concentrations commonly found in hydrolysates. Generally, the membranes become thinner, with a higher area per lipid and lower-order parameter as the small molecule concentration increases. These trends are stronger for more hydrophobic molecules with greater hydrophobic bulk, as isobutanol, propanol, and propanoic acid showed greater membrane perturbations as the concentration increased compared to other small molecules. Tracking small molecule distributions directly in our equilibrium simulations allows us to determine concentration-dependent free energy profiles for these molecules. While the trends are noisy, generally the barriers to crossing the membrane decrease as the concentration increases, indicating that the membranes become leakier as small molecule concentrations rise. Comparing between native Z. mobilis membranes with hopanoids and membranes sharing the same phospholipid composition but without hopanoids, hopanoids stabilize and order the membrane for smaller molecules to maintain membrane structure but appear insufficient for larger hydrophobic molecules like isobutanol. These findings provide a mechanistic understanding of how small molecules found in biomass degradation streams interact with the Z. mobilis membrane, offering valuable insights for future strain engineering efforts to optimize biofuel and bioproduct synthesis from biomass feedstocks by highlighting limits to small molecule tolerance. This knowledge can guide the modification of membrane composition to develop more robust microbes, thereby improving microbial survival and yields in industrial contexts.

Singh, Nitin Kumar [Michigan State Univ., East Lan↗

To investigate the reciprocal interactions between dielectric barrier discharges and different biological targets in cell culture medium

The objective of this project was to investigate the dynamic interactions between non-thermal plasma (NTP) and biological targets suspended in a physiological liquid medium. The experiments under this collaborative study were designed to combine theoretical and experimental approaches to test the hypothesis that when living cells (and the growth medium surrounding them) encounter plasma, they reciprocally and dynamically modify each other.

59 BASIC BIOLOGICAL SCIENCES↗

Pivotal Roles of Triple Screening-Topological, Electrostatic, and Hydrodynamic-On Dynamics in Semidilute Polyelectrolyte Solutions

For semidilute polyelectrolyte solutions, it is generally assumed that topological, electrostatic, and hydrodynamic interactions are screened (called triple screening). Despite a large body of research focused on polyelectrolyte solutions, the concept of triple screening has never been rigorously verified. In this work, we test the concept by probing concentration fluctuations in aqueous solutions containing a well-studied polyelectrolyte, sodium poly(styrenesulfonate) (NaPSS) with neutron scattering, theory, and molecular dynamics simulations. Neutron spin–echo (NSE) and small-angle neutron scattering (SANS) data from semidilute solutions of NaPSS are presented at different polymer and salt (NaCl) concentrations. A combined theory for structure (J. Chem. Phys. 105, 5183 (1996)) and dynamics (J. Chem. Phys. 107, 2619 (1997)), which captures effects of hydrodynamic, topological, and electrostatic screening, is used to interpret the experimental results. Here, the theory quantitatively predicts the decay rate obtained from the NSE measurements while capturing the shape and concentration dependencies of the polyelectrolyte peak observed in the SANS spectra. Detailed comparisons of the theory and the experiments reveal that the wavevector-dependent decay rate of concentration fluctuations in semidilute solutions of polyelectrolytes is dictated by the screening of hydrodynamic, topological, and electrostatic interactions. This conclusion is corroborated by coarse-grained molecular dynamics simulations, executed without any hydrodynamic interactions, which fail to capture the correct wavevector dependence of the decay rate. These results highlight that the theories based on the concept of triple screening provide a quantitative framework for predicting a relation between the structure and dynamics of polyelectrolyte solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Machine learning–driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins

Significance Here we present an unprecedented multiscale simulation platform that enables modeling, hypothesis generation, and discovery across biologically relevant length and time scales to predict mechanisms that can be tested experimentally. We demonstrate that our predictive simulation-experimental validation loop generates accurate insights into RAS-membrane biology. Evaluating over 100,000 correlated simulations, we show that RAS–lipid interactions are dynamic and evolving, resulting in: 1) a reordering and selection of lipid domains in realistic eight-lipid bilayers, 2) clustering of RAS into multimers correlating with specific lipid fingerprints, 3) changes in the orientation of the RAS G-domain impacting its ability to interact with effectors, and 4) demonstration that RAS–RAS G-domain interfaces are nonspecific in these putative signaling domains.

59 BASIC BIOLOGICAL SCIENCES↗

Variational approaches to constructing the many-body nuclear ground state for quantum computing

Here, we explore the preparation of specific nuclear states on gate-based quantum hardware using variational algorithms. Large-scale classical diagonalizations of the nuclear shell model have reached sizes of 10 9 –10 10 basis states but are still severely limited by computational resources. Quantum computing can, in principle, solve such systems exactly with exponentially fewer resources than classical computing. Exact solutions for large systems require many qubits and large gate depth, but variational approaches can effectively limit the required gate depth. We use the unitary coupled cluster approach to construct approximations of the ground-state vectors, later to be used in dynamics calculations. The testing ground is the phenomenological shell model space, which allows us to mimic the complexity of the internucleon interactions. We find that often one needs to minimize over a large number of parameters, using a large number of entanglements that makes the application on existing hardware challenging. Prospects for rapid improvements with more capable hardware are, however, very encouraging.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The KIPM Detector Consortium

Kinetic Inductance Phonon-Mediated (KIPM) Detectors, microcalorimeters that leverage kinetic inductance detectors (KIDs) to read out phonon signals from the device substrate, are an attractive architecture for low-threshold rare-event searches due to their large response to small changes in quasiparticle density and native multiplexability, enabling scalability. We have established a consortium comprising university and national lab groups dedicated to advancing the state-of-the-art in these detectors, with the ultimate goal of designing a detector with a kg-scale target mass and sub-eV threshold on energy deposited in the substrate, enabling searches for both light dark matter and low-energy neutrino interactions. This consortium brings together experts in KID design, phonon and quasiparticle dynamics, and noise modeling, along with specialized fabrication facilities, test platforms, and unique calibration capabilities. Recently, our consortium has demonstrated a sensor resolution (i.e., resolution in the quasiparticle channel) of 2.1 eV, the current record for such devices. The current focus of the consortium is modeling and improving the phonon collection efficiency and implementing low-Tc superconductors, both of which serve to improve the overall energy resolution and threshold of the detectors. In this talk, I will provide an overview of the consortium and its capabilities, highlight some recent results from its member groups, and discuss near term plans toward reaching the ultimate goal.

Temples, Dylan J. [Fermilab]↗