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

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Aberration-corrected STEM imaging of 2D materials: Artifacts and practical applications of threefold astigmatism

High-resolution scanning transmission electron microscopy (HR-STEM) with spherical aberration correction enables researchers to peer into two-dimensional (2D) materials and correlate the material properties with those of single atoms. The maximum intensity of corrected electron beam is confined in the area having sub-angstrom size. Meanwhile, the residual threefold astigmatism of the electron probe implies a triangular shape distribution of the intensity, whereas its tails overlap and thus interact with several atomic species simultaneously. The result is the resonant modulation of contrast that interferes the determination of phase transition of 2D materials. Here, we theoretically reveal and experimentally determine the origin of resonant modulation of contrast and its unintended impact on violating the power-law dependence of contrast on coordination modes between transition metal and chalcogenide atoms. The finding illuminates the correlation between atomic contrast, spatially inequivalent chalcogenide orientation, and residual threefold astigmatism on determining the atomic structure of emerging 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Computer Science Research Needs for Parallel Discrete Event Simulation (PDES)

Historically, scientific computing efforts have demonstrated the clear need for, and effective use of, supercomputing with traditional time-stepped simulations. Nevertheless, there are several areas in the mission spaces of the U.S. Department of Energy and other agencies waiting to tap advanced computing research using a different, discrete event style of modeling, simulation, and analysis. These span a wide spectrum of applications including energy grid resilience, urban planning and policy, transportation science, building technologies, emergency response and planning, environmental impact analysis, computational epidemiology, Internet communications, cyber security, and cyber-physical systems, to name only a few. Even within traditional scientific applications, the role of discrete event modes of execution is increasing in the form of new event-based mathematical solvers such as quantized state integration methods and discrete-continuous hybrid system solvers. Co-design of advanced supercomputing hardware systems is another area that exploits discrete event simulation at its core for effective analyses. Complex systems, entity behaviors and interconnections play a significant role in all these applications, which are mapped to large-scale models with discrete event formulations. To make advancements in all the aforementioned scientific areas, many technical aspects need to be more thoroughly studied and deeply understood in parallel discrete event simulation (PDES). The unique dynamics inherent in a discrete event modeling approach, by their very nature, intersect and influence the entire stack of the computing system, including (a) the unique nature of the instruction sets exercised in PDES workloads without a predominance of high-precision floating point operations, (b) virtual time-constrained multi-threaded execution of many logical processes per processor, (c) extremely variable and difficult to predict network traffic characteristics, (d) interfaces and inter-dependencies with machine learning and artificial intelligence codes at higher software layers, and (e) highly challenging load balancing needs, especially in effectively accounting for accelerated/extremely heterogeneous computing in current and future high-performance computing systems. Efficient and accurate parallel execution of PDES workloads is also dominated by challenges in dealing with their asynchronous concurrency fundamentally present at the model level. Conservative synchronization, optimistic/speculative synchronization, and their hybrid schemes open new questions in fundamental computer science with respect to reversibility of computation and prediction (lookahead) of behaviors inherent within model codes. On the implementation front, there are relatively few scalable, general-purpose parallel discrete event simulators in the world, and even fewer have been studied on emerging hardware platforms. To enable scientific advances using PDES, the research needs in computer science must also be pursued and met in the intersection of the algorithmic and hardware-aware aspects of scalable PDES engines. This report is aimed at capturing a computer science-oriented view of this important area of research in PDES, presenting a sample of important applications with their inherent discrete event technology elements. Needs are outlined in core areas of parallel discrete event research as well as cross-cutting directions in computer science research that positively impact scientific advancements across several important application areas. A selection of priority research opportunities in advanced computing for PDES is identified to serve as reference for key research topics and their order of importance for scientific advancements.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Reaching the potential of electron diffraction

Microcrystal electron diffraction (MicroED) is an emerging structural technique in which submicron crystals are used to generate diffraction data for structural studies. Structures allow for the study of molecular-level architecture and drive hypotheses about modes of action, mechanisms, dynamics, and interactions with other molecules. Combining cryoelectron microscopy (cryo-EM) instrumentation with crystallographic techniques, MicroED has led to three-dimensional structural models of small molecules, peptides, and proteins and has generated tremendous interest due to its ability to use vanishingly small crystals. In this perspective, we describe the current state of the field for MicroED methodologies, including making and detecting crystals of the appropriate size for the technique, as well as ways to best handle and characterize these crystals. Our perspective provides insight into ways to unlock the full range of potential for MicroED to access previously intractable samples and describes areas of future development.

3D ED↗
DOE OSTI2022

Emerging Trends and Systemic Issues Influencing Today’s U.S. Electric Grid

With increasing shifts from vertically integrated to horizontally structured operations and from centralized to distributed electric power delivery, today’s electric power grid (the “grid”) operators and designers face the challenge of creating an architecture that accommodates a host of diverse requirements. The grid’s modes of operation must address concerns of reliability and stability, new deployments of renewable energy sources, threats from cyber-attacks and natural disasters, and increasingly distributed system operations. Grid modernization calls for a reliable, affordable, sustainable, agile, secure, and resilient grid. However, the modernization of the U.S. power grid is hampered by mounting complexity and diverging objectives from owners and operators and is consequently risky and fraught with potential missteps. Flawed architecture, design, and implementation will lead to stranded investments and lost opportunities. A principled approach to minimize risk and develop a robust grid of the future is to begin with a sound architecture for the grid to inform the design process. Architecture development starts with the context of influencing factors that provide constraints as well as driving goals. This report provides the context of emerging trends and cross-cutting systemic issues in the U.S. electric power grid and serves as a vital input for grid architecture development.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Anharmonic strong-coupling effects at the origin of the charge density wave in CsV 3 Sb 5

The formation of charge density waves is a long-standing open problem, particularly in dimensions higher than one. Various observations in the vanadium antimonides discovered recently further underpin this notion. Here, we study the Kagome metal CsV3Sb5 using polarized inelastic light scattering and density functional theory calculations. We observe a significant gap anisotropy with 2Δ max /κ B T CDW ≈ 20, far beyond the prediction of mean-field theory. The analysis of the A 1g and E 2g phonons, including those emerging below T CDW , indicates strong phonon-phonon coupling, presumably mediated by a strong electron-phonon interaction. Similarly, the asymmetric Fano-type lineshape of the A 1g amplitude mode suggests strong electron-phonon coupling below T CDW . The large electronic gap, the enhanced anharmonic phonon-phonon coupling, and the Fano shape of the amplitude mode combined are more supportive of a strong-coupling phonon-driven charge density wave transition than of a Fermi surface instability or an exotic mechanism in CsV 3 Sb 5 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Internal rotation of ELM filaments on NSTX

Edge localized modes (ELMs) are a threat to tokamaks due to their high heat and particle loads on plasma facing components. A significant portion of this energy is carried and deposited by the emerging ELM filaments, whose dynamics are directly connected to their impact. Therefore, understanding their underlying physics is important for the operation of future fusion reactors. Our paper extends our knowledge of ELM filaments by reporting on their internal rotation (spinning) around the magnetic field lines along which they are extended. Our analysis of gas-puff imaging data on National Spherical Torus Experiment shows that ELM filaments are characterized by internal rotation in the direction of the ion-gyromotion with ω = 15:2 krad/s median angular velocity, which is approximately three times faster than the blob rotation in the background turbulence. The characteristic size of the ELM filament was also assessed and found to be similar to the blobs. A nearly linear trend was found between the angular velocity and the radial velocity of the ELM filament. The angular velocity was found to be linearly dependent on the distance of the filament from the separatrix, as well. An analytical model called the shear-induced rotation model was identified as a candidate for explaining the physics of the observations. Our results show that the modeled mechanism could significantly influence the rotation of the ELM filament; however, it cannot be a sole contributor.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Momentum-Resolved Direct Observation of Chiral Phonons in Elemental Tellurium

Chiral phonons carry finite phonon angular momentum, yet their momentum-resolved behavior in acoustic branches remains largely unexplored. In this work, we report the direct detection of chiral acoustic phonons in elemental Te. Through a combination of high-energy-resolution inelastic x-ray scattering experiments and atomistic modeling, we confirm that longitudinal acoustic modes develop pronounced circular atomic motion by mixing with transverse modes. Our results establish a direct link between unexpected scattering intensity in nominally forbidden geometries and circular phonons, offering a framework for characterizing momentum-resolved phonon chirality and highlighting the emergence of intrinsic phonon angular momentum in acoustic branches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Revealing the Origin of Time-Reversal Symmetry Breaking in Fe-Chalcogenide Superconductor FeTe 1 - x Se x

We report that recently evidence has emerged in the topological superconductor Fe-chalcogenide FeTe 1-x Se x for time-reversal symmetry breaking (TRSB), the nature of which has strong implications on the Majorana zero modes (MZM) discovered in this system. It remains unclear however whether the TRSB resides in the topological surface state (TSS) or in the bulk, and whether it is due to an unconventional TRSB superconducting order parameter or an intertwined order. Here by performing in superconducting FeTe 1-x Se x crystals both surface-magneto-optic-Kerr effect (SMOKE) measurements using a Sagnac interferometer and bulk magnetic susceptibility measurements, we pinpoint the TRSB to the TSS, where we also detect a Dirac gap. Further, we observe surface TRSB in non-superconducting FeTe 1-x Se x of nominally identical composition, indicating that TRSB arises from an intertwined surface ferromagnetic (FM) order. The observed surface FM bears striking similarities to the two-dimensional (2D) FM found in 2D van der Waals crystals, and is highly sensitive to the exact chemical composition, thereby providing a means for optimizing the conditions for Majorana particles that are useful for robust quantum computing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

A New Plasma Radar Concept for Simultaneous Magnetic and Density Measurements

An innovative, compact 288GHz interferometer has been fabricated, tested, installed and successfully demonstrated on the LAPD-U magnetized plasma at UCLA. The system takes advantage of frequency modulated (FM) radar techniques to deliver a compact heterodyne system. In addition, the reflected power from the source is taken advantage of to eliminate the need for additional quasi-optical components. Electron density in LAPD-U plasma has recently been increased substantially thereby requiring a higher frequency/shorter wavelength interferometer to avoid deleterious refractive effects. This system satisfies those needs. The system uses a 96GHz varactor tuned Gunn oscillator which passes to a passive tripler. This tripler has ~3% conversion efficiency. The 288GHz radiation is then coupled to free space using a so-called dual-mode or Pickett horn. The output 288GHz beam is then coupled to an aspheric lens manufactured from low-loss, high-density polyethylene. This lens is employed to collimate the emerging beam. Small axial adjustment of the lens position can also be used to create a slowly focusing beam so as to optimize the measured signal. In addition, up-down or side-to-side adjustment of the lens can be utilized to steer the beam vertically or horizontally – again to optimize alignment. The propagating beam passes through a beam splitter and then through a water-free, bubble-free fused quartz window into the LAPD-U vacuum vessel. The beam-splitter is a thin sheet of G10 which reflects a small fraction of the incident power (~5 %) towards a zero-bias detector optimized for the frequency range from 220 to 300GHz. Note that waveguides at this frequency have dimensions of ~0.9mm x 0.45mm and so have very large conductive losses. This drives the use of quasi-optical propagation. The detector requires no DC bias and is very responsive (> 1V/mW into 1MΩ). Radiation is coupled to the detector via a similar lens-horn arrangement used for the launch. This reflected beam acts as the local oscillator or reference millimeter-wave beam for the detector. The remainder of the launched source beam then enters the LAPD-U vacuum vessel and passes through the plasma at the mid-plane until reaching the opposing port which is closed off with an aluminum flange. This flange is used as a mirror to retroreflect the incident 288GHz beam back along its path. The retroreflected beam exits the input port but does NOT couple directly into the zero-bias detector. Instead, the majority of the return power continues towards the 288GHz source. As mentioned above the transmitted beam enters the source a second time. This would appear undesirable. However, at these frequencies multipliers are highly non-linear elements which results in a significant portion of the return beam (~20%) re-emerging from the multiplier and horn and then coupling via the G10 beam-splitter to the zero-bias detector. This approach eliminated the need for a second quasi-optical beam-splitter. The system is extremely compact measuring approximately 28 inches x 20 inches. The above did not explain how heterodyne operation was achieved. As mentioned above the Gunn oscillator is able to be varactor tuned. This allows a low voltage to be applied to control the operating frequency of the Gunn oscillator. During heterodyne operation a sawtooth shaped voltage is applied to the varactor at 750kHz using an 80MHz Arbitrary Waveform Generator (AWG). This voltage changes the Gunn frequency linearly during the up-sweep which is then reset abruptly at the sawtooth crash to be immediately followed by another linear sweep. Passage through the 288GHz multiplier triples the frequency change experienced by the electromagnetic wave. These frequency changes are small – tens of megahertz. This FM radar approach results in the launched electromagnetic wave frequencies at the detector for the reference and plasma wave to be different. The approximately 10 ns delay propagation delay for the plasma beam results in the local oscillator and plasma beams NOT having an identical frequency – there is in fact a fixed difference frequency. The frequency tuning level of the Gunn oscillator is then adjusted so that there is ONE cycle of this difference frequency during each linear ramp. During the sawtooth crash or downward re-sweep this one cycle replays in reverse but on a very fast timescale. The process then repeats. Low-pass filtering eliminates the fast re-sweep to leave a pure sine wave heterodyne signal. When the plasma is present it introduces a phase delay in the sine wave (caused by the extremely small Doppler shift resulting from the optical path length change). Of course, to measure this phase change we need a reference. This is simply obtained from an arbitrary waveform generator which provides a synchronized output pulse train which again is low pass filtered to obtain a 750kHz sinusoidal voltage reference for the interferometer. The interferometer was installed on LAPD-U where it has worked reliably and has established that electron densities exceeding 1x10 13 cm -3 are routinely achieved. In addition, the system sensitivity was able to easily observe density fluctuation at frequencies up to 50kHz. FM Radar techniques have enabled a full demonstration of a compact, sensitive, high frequency (288GHz/1mm) heterodyne interferometer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Enhanced Component Performance Study: Emergency Diesel Generators 1998–2018

This report presents an enhanced performance evaluation of emergency diesel generators (EDGs) at U.S. commercial nuclear power plants. This report evaluates component performance over time using (1) Institute of Nuclear Power Operations (INPO) Consolidated Events Database (ICES) data from 1998 through 2018 and (2) maintenance unavailability (UA) performance data from Mitigating Systems Performance Index (MSPI) Basis Document data from 2002 through 2018. The objective is to show estimates of current failure probabilities and rates related to EDGs, trend these data on an annual basis, determine if the current data are consistent with the probability distributions currently recommended for use in NRC probabilistic risk assessments, show how the reliability data differ for different EDG manufacturers and for EDGs with different ratings; and summarize the subcomponents, causes, detection methods, and recovery associated with each EDG failure mode. Engineering analyses were performed with respect to time period and failure mode without regard to the actual number of EDGs at each plant. The factors analyzed are: sub-component, failure cause, detection method, recovery, manufacturer, and EDG rating. A statistically significant increasing trend was identified in the frequency of FTLR demands for emergency power system (EPS) and high pressure core spray (HPCS) EDGs and a statistically significant decreasing trend was identified in the frequency of run > 1H hours for EPS and HPCS EDGs.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Entanglement of a nuclear spin qubit register in silicon photonics

Colour centres provide an optical interface to quantum registers based on electron and nuclear spin qubits in solids. The T centre in silicon is an emerging spin–photon interface that combines telecom O-band optical transitions and an electron spin in a scalable photonics platform. Here, in this study, we integrate T centres into single-mode photonic waveguides in a silicon-on-insulator platform. We demonstrate the initialization, coherent control and state read-out of a three-qubit register based on the electron spin of a T centre coupled to a hydrogen and a silicon nuclear spin. The spin register exhibits spin echo coherence times of 0.41(2) ms for the electron spin, 112(12) ms for the hydrogen nuclear spin and 67(7) ms for the silicon nuclear spin. We use nuclear–nuclear two-qubit gates to generate entanglement between the two nuclear spins with a fidelity of F = 0.77(3) and a coherence time of ${T}_{2}^{* }=2.60(8)$ ms. Our results show that a T centre in silicon photonics can realize a multi-qubit register with an optical interface for quantum communication.

Song, Hanbin [Lawrence Berkeley National Laborator↗
DOE OSTI2024

Nanoscale dynamics of Dynamin 1 helices reveals squeeze-twist deformation mode critical for membrane fission

Dynamin 1 (Dyn1) GTPase, a principal driver of membrane fission during synaptic endocytosis, self-assembles into short mechanoactive helices cleaving the necks of endocytic vesicles. While structural information about Dyn1 helix is abundant, little is known about the nanoscale dynamics of the helical scaffolding at the moment of fission, complicating mechanistic understanding of Dyn1 action. To address the role of the helix dynamics in fission, we used High-Speed Atomic Force Microscopy (HS-AFM) and fluorescence microscopy to track and compare the spatiotemporal characteristics of the helices formed by wild-type Dyn1 and its K44A mutant impaired in GTP hydrolysis on minimal lipid membrane templates. In the absence of nucleotide, membrane-bound WT Dyn1 and K44A Dyn1 self-assembled into tubular protein scaffolding of similar diameter encaging the lipid bilayer. In both cases, the GTP addition caused scaffold constriction coupled with formation of 20 to 30 nm nanogaps in the protein coverage. While both proteins reached scaffold diameters characteristic for membrane superconstriction causing fission, the fission was detected only with WT Dyn1. We associated the fission activity with the dynamic evolution of the nanogaps: K44A Dyn1 gaps were static, while WT Dyn1 gaps actively evolved via repetitive nonaxisymmetric constriction-bending deformations caused by localized GTP hydrolysis. Modeling of the deformations implicated filament twist as an additional deformation mode which combines with superconstriction to facilitate membrane fission. Our results thus show that the dynamics of the Dyn1 helical scaffold goes beyond radial constriction and involves nonaxisymmetric deformations, where filament twist emerges as a critical driver of membrane fission.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Staircase formation by resonant and non-resonant transport of potential vorticity

The E × B staircase is a quasi-periodic pattern of pressure profile corrugations. In this work, we present a new mechanism for E × B staircase formation that involves resonant transport versus non-resonant transport. We start from a potential vorticity evolution system and use quasi-linear theory, a model dispersion relation, and a bi-Lorentzian spectrum approximation, to construct the relation between the fluxes and the profiles. With these fluxes, we close the profile evolution equations and the extended turbulence intensity evolution equation, which together constitute a turbulence-profile evolution system. In this system, the Doppler effect from the E × B mean flow can cause resonance between trapped ion precession motion and the trapped ion mode, which drives a resonant transport contribution to the fluxes. The profiles will be flattened where the resonant transport is switched on. In contrast, for the regions of non-resonant transport, profiles are steeper. A quasi-periodic pattern of profile corrugation (the E × B staircase) spontaneously emerges in this system, which is the two states mentioned above, arranged as alternating layers in space. The feedback processes during the staircase pattern formation are identified. An estimate of the critical value of the boundary heat flux is obtained, above which the staircase formation will be triggered. An estimate scaling of the step size in the staircase pattern is obtained. The resonant turbulent transport is also a mechanism for collisionless saturation of zonal flow. Furthermore, this work is related to internal transport barrier formation and suggests some new scenarios, such as an enhanced confined L mode.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Intermodal microwave-to-optical transduction using silicon-on-sapphire optomechanical ring resonator

Optomechanical and electro-optomechanical systems have emerged as one of the most promising approaches for quantum microwave-to-optical transduction to interconnect distributed quantum modalities for scaling the quantum systems. These systems use suspended structures to increase mode overlap and mitigate loss to achieve high efficiency. However, the suspended design’s poor heat dissipation under strong drive limits the ultimate efficiency. Here, we demonstrate an unsuspended optomechanical ring resonator (OMR) based on the silicon-on-sapphire (SOS) platform for microwave-to-optical frequency conversion. The OMR achieves a triply resonant optical-to-optical conversion with an enhanced coupling rateG b = 3.6 gigahertz per square-root milliwatt at a peak conversion efficiency of 1.2% with 3.6-milliwatt microwave drive power and a microwave-to-optical conversion efficiency of 1.5 × 10 −5 at 10-milliwatt optical drive power. Our results show that the unsuspended SOS platform, which mitigates the thermal effect and is compatible with superconducting qubits, is a promising platform for optomechanical circuitry and quantum transduction.

Science & Technology - Other Topics↗
DOE OSTI2021

A new and alternative look at nonlinear Alfvénic states

The formulation for studying nonlinear Alfvenic states, sustainable in Hall Magnetohydrodynamics (HMHD), becomes considerably simpler and more tractable when circularly polarized Beltrami vectors (the eigenstates of linear HMHD) are used as the basis functions. Nonlinear HMHD is, then, reduced to a rather simple looking set of scalar equations from which a model problem of three interacting Beltrami modes is formulated and analytically solved. The triplet interactions span a variety of familiar nonlinear processes leading to a redistribution as well as periodic exchange of energy. The energy exchange processes (whose strength is measured by an energy exchange/depletion time) will, perhaps, play a dominant role in determining the spectral content of an eventual Alfvenic state. All nonlinearities (sensitive functions of the interacting wave vectors) operate at par, and none is dominant over any substantial region of k-space; their intricate interplay prevents a “universal” picture from emerging; few generalizations on the processes that may, for instance, lead to a turbulent state, are possible. However, the theory can definitely claim: (1) the energy tends to flow from lower to higher k and (2) the higher k z (in the direction of the ambient magnetic field) components of a mode with a given k are depleted/oscillate faster—in some cases much faster. It is noteworthy that the mode coupling is the strongest (with the shortest depletion time) when the participating wave vectors are nearly perpendicular; perhaps, an expected consequence of the curl (cross product) nonlinearities. Numerical simulations will be necessary to help create a fully reliable picture.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

A modeling framework for designing and evaluating curbside traffic management policies at Dallas-Fort Worth International Airport

Emerging mobility technologies are changing the transportation system landscape. This is especially evident at airports, such as the Dallas-Fort Worth International Airport (DFW). Without careful analysis, these changes could lead to inefficient and costly airport operations. This paper presents a modeling framework that integrates travel mode encoding, demand projection, and microsimulation to enable airports to develop, simulate, and evaluate curbside traffic managements policies and measure their impact. Here, the framework is utilized to analyze several traffic scenarios and policies for DFW: a baseline scenario which represents DFW traffic pattern as observed in 2018 and projected to 2045, a transit network company (TNC) electrification policy, a TNC queuing policy, a policy that increased transit ridership, a bus-only policy which considers the use of only buses inside DFW, an autonomous vehicle (AV) policy which investigates the impact of autonomous vehicle (AV) adoption on airport operations, and an example COVID-19 scenario which models the impact of the COVID19 pandemic. The simulations’ results demonstrate that: increasing the DFW transit ridership postpones the need for airport curbside expansion the most; encouraging shared-mobility with the bus-only policy produces the most savings in curbside congestion delays; automation and electrification for all passenger vehicle trips to/from DFW generates the most saving in fuel consumption and emissions; and uncontrolled AV adoption incurs the highest increase in fuel consumption, delay, and emissions and could require immediate airport capacity extension. Without policy intervention or investment in additional infrastructure capacity, these results predict the current operations would face significant congestion on high demand days starting as early as 2028. While derived in close partnership with DFW, the methodology presented here can be generalized to any airport.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Phonon-mediated lipid raft formation in biological membranes

Short-wavelength collective molecular motions, also known as phonons, have recently attracted much interest in revealing dynamic properties of biological membranes through the use of neutron and x-ray scattering, infrared and Raman spectroscopies, and molecular dynamics simulations. Experimentally detecting unique vibrational patterns such as, shear phonon excitations, viscoelastic crossovers, transverse acoustic phonon gaps, and continuous and truncated optical phonon modes in cellular membranes, to name a few, has proven non-trivial. Here, we review recent advances in liquid thermodynamics that have resulted in the development of the phonon theory of 1 liquids. The theory has important predictions regarding the shear vibrational spectra of fluids, namely the emergence of viscoelastic crossovers and transverse acoustic phonon gaps. Furthermore, we show that these vibrational patterns are common in soft (non-crystalline) materials, including, but not limited to liquids, colloids, liquid crystals (mesogens), block copolymers, and biological membranes. The existence of viscoelastic crossovers and acoustic phonon gaps define the self-diffusion properties of cellular membranes and provide a molecular picture of the transient nature of lipid rafts.1 Importantly, the timescales (picoseconds) for the formation and dissolution of transient lipid rafts match the lifetime of the formation and breakdown of interfacial water hydrogen bonds. Apart from acoustic propagating phonon modes, biological membranes can also support more energetic non-propagating optical phonon excitations, also known as standing waves or breathing modes. Importantly, optical phonons can be truncated due to the existence of finite size nanodomains made up of strongly correlated lipid-cholesterol molecular pairs. These strongly coupled molecular pairs can serve as nucleation centers for the formation of stable rafts at larger length scales, due to correlations of spontaneous fluctuations (Onsager’s regression hypothesis). Finally and importantly, molecular level viscoelastic crossovers, acoustic phonon gaps, and continuous and truncated optical phonon modes may offer insights as to how lipid-lipid and lipid-protein interactions enable biological function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Emergence of Diverse Failure Patterns in Weathering‐Induced Landslides: Insights From Particle Finite Element Simulations

Weathering is a fundamental driver of landslide evolution over geological timescales. Despite its ubiquity and importance, quantifying how weathering drives the progressive destabilization of rock slopes remains challenging. In this work, we develop a unified computational framework based on the particle finite element method to investigate the evolution of weathering‐induced landslides, from long‐term weathering to short‐term slope failure and runout dynamics. The framework integrates key processes, including weathering front propagation, time‐dependent strength degradation, rupture surface development, and post‐failure runout dynamics. Through numerical simulation experiments, we elucidate how interactions among weathering characteristics (type, intensity, and rate law), bedrock strength, fracture distribution, and slope geometry govern the failure modes and kinematics of weathering‐induced landslides. Simulations show that matrix‐dominated weathering leads to shallow translational failures, whereas fracture‐dominated weathering produces deep‐seated rotational and compound landslides. Pre‐existing fractures and slope morphology also strongly influence the movement of destabilized landmasses, affecting the failure pattern (e.g., kinematic mode and rupture surface geometry) and post‐failure behavior (e.g., runout velocity). We further demonstrate that the failure time and volume of weathered slopes are governed by the competition between gravitational driving forces and cohesive resisting forces during progressive destabilization. These findings provide new insights into the fundamental mechanisms that drive the emergence of diverse failure patterns of weathering‐induced landslides with important implications for landslide hazard assessment.

Wang, Liang [Eidgenoessische Technische Hochschule↗