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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Enhanced Simulation of Atmospheric Blocking in a High‐Resolution Earth System Model: Projected Changes and Implications for Extreme Weather Events

Atmospheric blocking is closely linked to the occurrence of extreme weather events. However, low-resolution Earth system models often underestimate the frequency of blocking, undermining confidence in future projections. Here, in this study, we use the high-resolution Community Earth System Model (CESM-HR; 25 km atm and 10 km ocean) to show that CESM-HR reduces biases in atmospheric blocking for both winter and summer, particularly for events lasting longer than 10 days. This improvement is partly due to reduced sea surface temperature biases at higher resolution. Additionally, applying a bias correction to the 500 hPa geopotential height further enhances blocking frequency simulations, highlighting the crucial role of the mean state. Under the Representative Concentration Pathway 8.5 scenario, CESM-HR projects a decrease in wintertime blocking over regions such as the Euro-Atlantic and Chukchi-Alaska, consistent with previous studies. In contrast, summer blocking is expected to become more frequent and persistent, driven by weakened zonal winds. The blocking center shifts from historical locations over Scandinavia and eastern Russia to central Eurasia, significantly increasing blocking over the Ural region. Summer blocking frequency over the Scandinavia-Ural region may eventually surpass historical winter blocking over the Euro-Atlantic. This increase in summer blocking could exacerbate summer heatwaves in a warming climate, making severe heatwaves, like those observed recently, more common in the future.

Atmospheric blocking↗
NASA NTRS1979

Strains and tilts on crustal blocks

Geodetic work done over the past century is examined to investigate block motion in areas of intense tectonic deformation, with special attention to geodetic releveling data obtained for Japan. Problems in interpreting strainmeter and tiltmeter to study the behavior of crustal blocks and block boundaries are discussed. Block dimensions of 5 to 50 km seem to occur frequently in regions of intense tectonic activity. Block boundaries are often considerably weaker than contiguous crustal blocks, resulting in a concentration of strains at boundaries and decrease of strains within blocks. Block to block variations in tilt phase and magnitude are observed. There is some evidence that block boundaries may exhibit strain-dependent elastic properties or respond viscoelastically, possibly accounting for the slow transmission of tectonic deformation reported in Japan. If nonlinear behavior is characteristic of regions fragmented by crustal blocks, it will generally not be possible to apply a site correction factor based on the observed distortion of tidal or seismic strains in interpreting secular strains.

Bilham, R. G.↗
NASA NTRS2003

Superalloy Lattice Block Developed for Use in Lightweight, High-Temperature Structures

Successful development of advanced gas turbine engines for aircraft will require lightweight, high-temperature components. Currently titanium-aluminum- (TiAl) based alloys are envisioned for such applications because of their lower density (~4 g/cm3) in comparison to superalloys (~8.5 g/cm3), which have been utilized for hot turbine engine parts for over 50 years. However, a recently developed concept (lattice block) by JAMCORP, Inc., of Willmington, Massachusetts, would allow lightweight, high-temperature structures to be directly fabricated from superalloys and, thus, take advantage of their well-known, characterized properties. In its simplest state, lattice block is composed of thin ligaments arranged in a three dimensional triangulated trusslike configuration that forms a structurally rigid panel. Because lattice block can be fabricated by casting, correctly sized hardware is produced with little or no machining; thus very low cost manufacturing is possible. Together, the NASA Glenn Research Center and JAMCORP have extended their lattice block methodology for lower melting materials, such as Al alloys, to demonstrate that investment casting of superalloy lattice block is possible. This effort required advances in lattice block pattern design and assembly, higher temperature mold materials and mold fabrication technology, and foundry practice suitable for superalloys (ref. 1). Lattice block panels have been cast from two different Ni-base superalloys: IN 718, which is the most commonly utilized superalloy and retains its strength up to 650 C; and MAR M247, which possesses excellent mechanical properties to at least 1100 C. In addition to the open-cell lattice block geometry, same-sized lattice block panels containing a thin (~1-mm-thick) solid face on one side have also been cast from both superalloys. The elevated-temperature mechanical properties of the open cell and face-sheeted superalloy lattice block panels are currently being examined, and the microstructure is being characterized in terms of casting defects. In addition, a small study (ref. 3) is being undertaken with GE Aircraft Engines to determine the suitability of superalloy lattice block for engine components.

Hebsur, Mohan G.↗
NASA NTRS2012

Changes in the Intensity and Frequency of Atmospheric Blocking and Associated Heat Waves During Northern Summer Over Eurasia in the CMIP5 Model Simulations

The Russia heat wave and wild fires of the summer of 2010 was the most extreme weather event in the history of the country. Studies show that the root cause of the 2010 Russia heat wave/wild fires was an atmospheric blocking event which started to develop at the end of June and peaked around late July and early August. Atmospheric blocking in the summer of 2010 was anomalous in terms of the size, duration, and the location, which shifted to the east from the normal location. This and other similar continental scale severe summertime heat waves and blocking events in recent years have raised the question of whether such events are occurring more frequently and with higher intensity in a warmer climate induced by greenhouse gases. We studied the spatial and temporal distributions of the occurrence and intensity of atmospheric blocking and associated heat waves for northern summer over Eurasia based on CMIPS model simulations. To examine the global warming induced change of atmospheric blocking and heat waves, experiments for a high emissions scenario (RCP8.S) and a medium mitigation scenario (RCP4.S) are compared to the 20th century simulations (historical). Most models simulate the mean distributions of blockings reasonably well, including major blocking centers over Eurasia, northern Pacific, and northern Atlantic. However, the models tend to underestimate the number of blockings compared to MERRA and NCEPIDOE reanalysis, especially in western Siberia. Models also reproduced associated heat waves in terms of the shifting in the probability distribution function of near surface temperature. Seven out of eight models used in this study show that the frequency of atmospheric blocking over the Europe will likely decrease in a warmer climate, but slightly increase over the western Siberia. This spatial pattern resembles the blocking in the summer of 2010, indicating the possibility of more frequent occurrences of heat waves in western Siberia. In this talk, we will also discuss the potential effect of atmosphere-land feedback, particularly how the wetter spring affects the frequency and intensity of atmospheric blocking and heat wave during summer.

Kim, Kyu-Myong↗
NASA NTRS2018

Space Launch Systems Block 1B Preliminary Navigation System Design

NASA is currently building the Space Launch Systems (SLS) Block 1 launch vehicle for the Exploration Mission 1 (EM-1) test flight. In parallel, NASA is also designing the Block 1B launch vehicle. The Block 1B vehicle is an evolution of the Block 1 vehicle and extends the capability of the NASA launch vehicle. This evolution replaces the Interim Cryogenic Propulsive Stage (ICPS) with the Exploration Upper Stage (EUS). As the vehicle evolves to provide greater lift capability, increased robustness for manned missions, and the capability to execute more demanding missions so must the SLS Integrated Navigation System evolved to support those missions. This paper describes the preliminary navigation systems design for the SLS Block 1B vehicle. The evolution of the navigation hard-ware and algorithms from an inertial-only navigation system for Block 1 ascent flight to a tightly coupled GPS-aided inertial navigation system for Block 1B is described. The Block 1 GN&C system has been designed to meet a LEO insertion target with a specified accuracy. The Block 1B vehicle navigation system is de-signed to support the Block 1 LEO target accuracy as well as trans-lunar or trans-planetary injection accuracy. Additionally, the Block 1B vehicle is designed to support human exploration and thus is designed to minimize the probability of Loss of Crew (LOC) through high-quality inertial instruments and robust algorithm design, including Fault Detection, Isolation, and Recovery (FDIR) logic.

Oliver, T. Emerson↗
DOE OSTI2025

Bottlebrush Block Copolymer Thin Films

The self-assembly of block copolymers (BCPs) in thin films is governed by interfacial interactions (enthalpy) between the blocks and interfaces (at both the substrate and the surface). Advantage can also be taken of entropy to control the polymer orientation. Here, we synthesized a series of bottlebrush block copolymers (BBCPs), with deuterated polystyrene (DPS) as the core block and poly­(solketal acrylate) (PSA) as the corona block, where the backbone length (N BB) and grafting densities (GDs) were varied. The hydrophobic PSA block was converted to a hydrophilic poly­(glyceryl acrylate) (PGA) block by solid-state hydrolysis, bringing the BBCP from a disordered state into an ordered state with a lamellar microdomain morphology. The orientation of the morphology as a function of distance from the interfaces was systematically investigated by atomic force microscopy (AFM), interference microscopy, grazing-incidence small-angle X-ray scattering (GISAXS), and grazing-incidence small angle neutron scattering (GISANS). For N BB = 1 (diblock BCP), a mixed lamellar orientation was found. For N BB = 5 (star-like BBCP), a vertical orientation of the lamellar microdomains was found dominantly at the interfaces that propagated into the bulk of the film due to the entropic penalty associated with constraints on the junction points. Increasing the N BB to 50 (rod-like BBCP) and 100 (worm-like BBCP) yielded a random orientation, as the side chains became overcrowded when aligned in the same direction. By reducing the grafting density (GD) of a N BB = 50 BBCP from 100% to 75% and 50% by the incorporation of spacers into the backbone, the steric hindrance of side chains is reduced markedly, facilitating a vertical orientation of the lamellar microdomains. However, the vertical orientation becomes more random within the bulk of the thin film for different BBCP architectures. By modifying the substrate with a layer of PS, the preferential interactions between the core block of the BBCP and the interfaces induce a reconfiguration of the BBCP, drawing the core block out to contact substrate directly driven by enthalpy. Under these conditions, N BB = 5 showed a predominantly parallel orientation of the lamellar microdomains with the corona block minimizing contact with the substrate. Higher N BB values of 50 and 100 showed a more random orientation of the lamellar microdomains at different depths on the PS-modified substrate. Overall, thin-film morphology was regulated by tuning the configuration of the BBCP, varying the entropic contribution to the microdomain orientation.

Chen, Zhan↗
NASA NTRS1998

Trellises and Trellis-Based Decoding Algorithms for Linear Block Codes

A code trellis is a graphical representation of a code, block or convolutional, in which every path represents a codeword (or a code sequence for a convolutional code). This representation makes it possible to implement Maximum Likelihood Decoding (MLD) of a code with reduced decoding complexity. The most well known trellis-based MLD algorithm is the Viterbi algorithm. The trellis representation was first introduced and used for convolutional codes [23]. This representation, together with the Viterbi decoding algorithm, has resulted in a wide range of applications of convolutional codes for error control in digital communications over the last two decades. There are two major reasons for this inactive period of research in this area. First, most coding theorists at that time believed that block codes did not have simple trellis structure like convolutional codes and maximum likelihood decoding of linear block codes using the Viterbi algorithm was practically impossible, except for very short block codes. Second, since almost all of the linear block codes are constructed algebraically or based on finite geometries, it was the belief of many coding theorists that algebraic decoding was the only way to decode these codes. These two reasons seriously hindered the development of efficient soft-decision decoding methods for linear block codes and their applications to error control in digital communications. This led to a general belief that block codes are inferior to convolutional codes and hence, that they were not useful. Chapter 2 gives a brief review of linear block codes. The goal is to provide the essential background material for the development of trellis structure and trellis-based decoding algorithms for linear block codes in the later chapters. Chapters 3 through 6 present the fundamental concepts, finite-state machine model, state space formulation, basic structural properties, state labeling, construction procedures, complexity, minimality, and sectionalization of trellises. Chapter 7 discusses trellis decomposition and subtrellises for low-weight codewords. Chapter 8 first presents well known methods for constructing long powerful codes from short component codes or component codes of smaller dimensions, and then provides methods for constructing their trellises which include Shannon and Cartesian product techniques. Chapter 9 deals with convolutional codes, puncturing, zero-tail termination and tail-biting.Chapters 10 through 13 present various trellis-based decoding algorithms, old and new. Chapter 10 first discusses the application of the well known Viterbi decoding algorithm to linear block codes, optimum sectionalization of a code trellis to minimize computation complexity, and design issues for IC (integrated circuit) implementation of a Viterbi decoder. Then it presents a new decoding algorithm for convolutional codes, named Differential Trellis Decoding (DTD) algorithm. Chapter 12 presents a suboptimum reliability-based iterative decoding algorithm with a low-weight trellis search for the most likely codeword. This decoding algorithm provides a good trade-off between error performance and decoding complexity. All the decoding algorithms presented in Chapters 10 through 12 are devised to minimize word error probability. Chapter 13 presents decoding algorithms that minimize bit error probability and provide the corresponding soft (reliability) information at the output of the decoder. Decoding algorithms presented are the MAP (maximum a posteriori probability) decoding algorithm and the Soft-Output Viterbi Algorithm (SOVA) algorithm. Finally, the minimization of bit error probability in trellis-based MLD is discussed.

Lin, Shu↗
NASA NTRS1973

The computation of 15 deg and 10 deg equal area block terrestrial free air gravity anomalies

Starting with the set of 23,355 1 deg x 1 deg mean free air gravity anomalies used in Rapp (1972) to form a 5 deg equal area block terrestrial gravity field, the computation of 15 deg equal area block mean free air gravity anomalies is described along with estimates of their standard deviations. A new scheme of an integral division of a 15 deg block into 9 component 300 n. m. blocks, and each 300 n. m. block being subdivided into 25 60 n.mi. blocks, is used. This insures that there is no loss in accuracy, which would have resulted if proportional values according to area were taken of the 5 deg equal area anomalies to form the 15 deg block anomalies. A similar scheme is used for the computation of 10 deg equal area block mean free air gravity anomalies with estimates of their standard deviations. The scheme is general enough to be used for a 30 deg equal area block terrestrial gravity field.

Hajela, D. P.↗
NASA NTRS1995

Block distributions on the lunar surface: A comparison between measurements obtained from surface and orbital photography

Among the hazards that must be negotiated by lunar-landing spacecraft are blocks on the surface of the Moon. Unfortunately, few data exist that can be used to evaluate the threat posed by such blocks to landing spacecraft. Perhaps the best information is that obtained from Surveyor photographs, but those data do not extend to the dimensions of the large blocks that would pose the greatest hazards. Block distributions in the vicinities of the Surveyor 1, 3, 6, and 7 sites have been determined from Lunar Orbiter photography and are presented here. Only large (i.e., greater than or equal to 2.5 m) blocks are measurable in these pictures, resulting in a size gap between the Surveyor and Lunar Orbiter distributions. Nevertheless, the orbital data are self-consistent, a claim supported by the similarity in behavior between the subsets of data from the Surveyor 1, 3, and 6 sites and by the good agreement in position (if not slopes) between the data obtained from the Surveyor 3 photography and those derived from the Lunar Orbiter photographs. Confidence in the results is also justified by the well-behaved distribution of large blocks at the surveyor site. Comparisons between the Surveyor distributions and those derived from the orbital photography permit these observations: (1) in all cases but that for Surveyor 3, the density of large blocks is overestimated by extrapolation of the Surveyor-derived trends; (2) the slopes of the Surveyor-derived distributions are consistently lower than those determined for the large blocks; and (3) these apparent disagreements could be mitigated if the overall shapes of the cumulative lunar block populations were nonlinear, allowing for different slopes over different size intervals. The relatively large gaps between the Surveyor-derived and Orbiter-derived data sets, however, do not permit a determination of those shapes.

Cintala, Mark J.↗
NASA NTRS1986

Spectral energetics of the observed and simulated Northern Hemisphere general circulation during blocking episodes

The spectral energetics of the Northern Hemisphere circulation during blocking episodes of the FGGE year is investigated with gridded analyses of observational data and parallel simulation experiments. The purpose of this study is to describe the energetics distinctions of the observed and simulated blockings in the context of the general circulation and to assess the capability of the model to simulate blockings. In the observed circulation a pronounced winter blocking is developed and maintained by the nonlinear wave-wave interaction L(1) from the kinetic energy source for n = 3-10, where L(n) is the transfer of eddy kinetic energy from all other wavenumbers to wavenumber n. In the case of the double blocking in the winter, both L(1) and L(2) support the blocking. The kinetic energy source of n = 10 for upscale input at n = 1 and 2 is supported by the baroclinic conversion at n = 3-10. The simulated winter circulation shows strong baroclinic conversion at all wavenumbers, including ultralong waves. However, the simulation fails to produce pronounced blocking for the absence of L(1), and the converted energy cascades down to shorter waves. The wave-mean transfer of kinetic energy from the large-scale disturbances to the zonal mean component further prevents the accumulation of the kinetic energy at the ultralong waves. In contrast to the winter situation, the summer blocking seems to be directly supported by both L(4) and baroclinic conversion at other planetary-scale waves. Consequently, the summer circulation is better simulated than the winter circulation.

Kung, Ernest C.↗
NASA NTRS1995

Planetary and synoptic-scale interactions during the life cycle of a mid-latitude blocking anticyclone over the North Atlantic

The formation of a blocking anticyclone over the North Atlantic has been examined over its entire life-CyCle using the Zwack-Okossi (Z-O) equation as the diagnostic tool. This blocking anticyclone occurred in late October and early November of 1985. The data used were provided by the NASA Goddard Laboratory for Atmospheres on a global 2.O degree latitude by 2.5 degree longitudinal grid. The horizontal distribution of the atmospheric forcing mechanisms that were important to 500 mb block formation, maintenance and decay were examined. A scale-partitioned form of the Z-O equation was then used to examine the relative importance of forcing on the planetary and synoptic scales, and their interactions. As seen in previous studies, the results presented here show that upper tropospheric anticyclonic vorticity advection was the most important contributor to block formation and maintenance. However, adiabatic warming, and vorticity tilting were also important at various times during the block lifetime. In association with precursor surface cyclogenesis, the 300 mb jet streak in the downstream (upstream) from a long-wave trough (ridge) amplified significantly. This strengthening of the jet streak enhanced the anti-cyclonic vorticity advection field that aided the amplification of a 500 mb short-wave ridge. Tile partitioned height tendency results demonstrate that the interactions between the planetary and sn,noptic-scale through vorticity advection was the most important contributor to block formation. Planetary-scale, synoptic-scale. and their interactions contributed weakly to the maintenance of the blocking anticyclone with the advection of synoptic-scale vorticity by the planetary-scale flow playing a more important role. Planetary-scale decay ofthe long-wave ridge contributed to the demise of this blocking event.

Smith, Phillip J.↗
NASA NTRS2002

Initial Mechanical Testing of Superalloy Lattice Block Structures Conducted

The first mechanical tests of superalloy lattice block structures produced promising results for this exciting new lightweight material system. The testing was performed in-house at NASA Glenn Research Center's Structural Benchmark Test Facility, where small subelement-sized compression and beam specimens were loaded to observe elastic and plastic behavior, component strength levels, and fatigue resistance for hundreds of thousands of load cycles. Current lattice block construction produces a flat panel composed of thin ligaments arranged in a three-dimensional triangulated trusslike structure. Investment casting of lattice block panels has been developed and greatly expands opportunities for using this unique architecture in today's high-performance structures. In addition, advances made in NASA's Ultra-Efficient Engine Technology Program have extended the lattice block concept to superalloy materials. After a series of casting iterations, the nickel-based superalloy Inconel 718 (IN 718, Inco Alloys International, Inc., Huntington, WV) was successfully cast into lattice block panels; this combination offers light weight combined with high strength, high stiffness, and elevated-temperature durability. For tests to evaluate casting quality and configuration merit, small structural compression and bend test specimens were machined from the 5- by 12- by 0.5-in. panels. Linear elastic finite element analyses were completed for several specimen layouts to predict material stresses and deflections under proposed test conditions. The structural specimens were then subjected to room-temperature static and cyclic loads in Glenn's Life Prediction Branch's material test machine. Surprisingly, the test results exceeded analytical predictions: plastic strains greater than 5 percent were obtained, and fatigue lives did not depreciate relative to the base material. These assets were due to the formation of plastic hinges and the redundancies inherent in lattice block construction, which were not considered in the simplified computer models. The fatigue testing proved the value of redundancies since specimen strength was maintained even after the fracture of one or two ligaments. This ongoing test program is planned to continue through high-temperature testing. Also scheduled for testing are IN 718 lattice block panels with integral face sheets, as well as specimens cast from a higher temperature alloy. The initial testing suggests the value of this technology for large panels under low and moderate pressure loadings and for high-risk, damage-tolerant structures. Potential aeropropulsion uses for lattice blocks include turbine-engine actuated panels, exhaust nozzle flaps, and side panel structures.

Krause, David L.↗
NASA NTRS2005

Flash memory management system and method utilizing multiple block list windows

The present invention provides a flash memory management system and method with increased performance. The flash memory management system provides the ability to efficiently manage and allocate flash memory use in a way that improves reliability and longevity, while maintaining good performance levels. The flash memory management system includes a free block mechanism, a disk maintenance mechanism, and a bad block detection mechanism. The free block mechanism provides efficient sorting of free blocks to facilitate selecting low use blocks for writing. The disk maintenance mechanism provides for the ability to efficiently clean flash memory blocks during processor idle times. The bad block detection mechanism provides the ability to better detect when a block of flash memory is likely to go bad. The flash status mechanism stores information in fast access memory that describes the content and status of the data in the flash disk. The new bank detection mechanism provides the ability to automatically detect when new banks of flash memory are added to the system. Together, these mechanisms provide a flash memory management system that can improve the operational efficiency of systems that utilize flash memory.

Chow, James↗
NASA NTRS2012

Heat Shield Employing Cured Thermal Protection Material Blocks Bonded in a Large-Cell Honeycomb Matrix

A document describes a new way to integrate thermal protection materials on external surfaces of vehicles that experience the severe heating environments of atmospheric entry from space. Cured blocks of thermal protection materials are bonded into a compatible, large-cell honeycomb matrix that can be applied on the external surfaces of the vehicles. The honeycomb matrix cell size, and corresponding thermal protection material block size, is envisioned to be between 1 and 4 in. (.2.5 and 10 cm) on a side, with a depth required to protect the vehicle. The cell wall thickness is thin, between 0.01 and 0.10 in. (.0.025 and 0.25 cm). A key feature is that the honeycomb matrix is attached to the vehicle fs unprotected external surface prior to insertion of the thermal protection material blocks. The attachment integrity of the honeycomb can then be confirmed over the full range of temperature and loads that the vehicle will experience. Another key feature of the innovation is the use of uniform-sized thermal protection material blocks. This feature allows for the mass production of these blocks at a size that is convenient for quality control inspection. The honeycomb that receives the blocks must have cells with a compatible set of internal dimensions. The innovation involves the use of a faceted subsurface under the honeycomb. This provides a predictable surface with perpendicular cell walls for the majority of the blocks. Some cells will have positive tapers to accommodate mitered joints between honeycomb panels on each facet of the subsurface. These tapered cells have dimensions that may fall within the boundaries of the uniform-sized blocks.

Zell, Peter↗
NASA NTRS2018

Spacecraft Block Scheduling for NASA’s Deep Space Network

Currently, NASA’s Deep Space Network (DSN) is responsible for uplink to, downlink from, and/or tracking of dozens of missions for space agencies across the world. The DSN scheduling process starts about four months prior to the start of the schedule week, a process in which requirements are defined and then the schedule is created, de-conflicted, and negotiated over the next 2–3 weeks with a team of mission representatives. Now scheduled for late 2019, Exploration Mission1 (EM-1) will deploy upwards of 12 SmallSat missions that will be served by the DSN. This will increase the DSN’s actively serviced spacecraft by up to 30%, further increasing the difficulty of meeting all mission needs via the over subscribed network. To mitigate their impact on DSN scheduling, a block scheduling process is proposed for scheduling the SmallSats. Block scheduling consists of aggregating spacecraft together into larger “pseudo-spacecraft” based on geometric alignment that then follow the same process as any other DSN mission to receive segments of track time. These tracks are then decomposed into tracks for individual users based on their specific requirements. This paper describes a full novel scheduling tool set for building candidate blocks, evaluating the efficacy of these blocks, and optimal and suboptimal de-blocking schemes. To demonstrate these developed tools, results from three simulations are presented: a blocking example with lunar SmallSats, blocking potential in the greater DSN spacecraft catalog, and opportunistic multiple spacecraft per aperture potential for the DSN spacecraft catalog. Block scheduling has the potential to reduce overhead and scheduling resources for the EM-1 SmallSats while also providing them with a better means to meet their mission requirements.

Bilén, Sven G.↗
DOE OSTI2025

Self‐Assembly Methods Induce Different Individual‐Polymer‐Block Solvation Responses

An understanding of block-specific responses to stimuli in self-assembled copolymers is essential for the effective design of responsive materials. Here, materials formed from different post-reaction processing methods of the same ROMP block copolymer exhibit different block-specific solvent responses, as characterized in situ by fluorescence lifetime imaging microscopy (FLIM). FLIM data were acquired by tagging the polar or nonpolar block separately with a covalently incorporated viscosity-sensitive fluorescent molecular rotor to measure the changing tightness or looseness of assembly upon changes in solvent composition. Rapid precipitation from an insoluble solvent to form a film results in tighter assembly and less difference in tightness/looseness between the two blocks. Further, it interrupts individual block-solvent response behavior. Both results indicate an apparent disruption of the core–shell assembly. This model from FLIM is further supported by differential scanning calorimetry (DSC) and small-angle X-ray scattering (SAXS) data from isolated solids, which show tighter long-range interactions and more long-range order in these kinetically trapped states. Here, the experiments develop FLIM as a method for pinpointing stimuli-responsive behaviors from different processing methods to individual blocks. Together these outcomes provide a future handle for tailoring solvent-triggered assembly/disassembly behavior.

López, Pía A. [University of California, Irvine, C↗
DOE OSTI2026

Scalable Quantum Monte Carlo Method for Polariton Chemistry via Mixed Block Sparsity and Tensor Hypercontraction Method

We present a reduced-scaling auxiliary-field quantum Monte Carlo (AFQMC) framework designed for large molecular systems and ensembles, with or without coupling to optical cavities. Our approach leverages the natural block sparsity of the Cholesky decomposition (CD) of electron repulsion integrals in molecular ensembles and employs tensor hypercontraction (THC) to efficiently compress low-rank Cholesky blocks. By representing the Cholesky vectors in a mixed format, keeping high-rank blocks in block-sparse form and compressing low-rank blocks with THC, we reduce the scaling of exchange-energy evaluation from quartic to robust cubic in the number of molecular orbitals N, while lowering memory from cubic toward quadratic. Benchmark analyses on one-, two-, and three-dimensional molecular ensembles (up to ∼1,200 orbitals) show that (a) the number of nonzeros in Cholesky tensors grows linearly with system size across dimensions; (b) the average numerical rank increases sublinearly and does not saturate at these sizes; and (c) rank heterogeneity─some blocks nearly full rank and many low rank, naturally motivates the proposed mixed block sparsity and THC scheme for efficient calculation of exchange energy. In conclusion, we demonstrate that the mixed scheme yields cubic wall-time scaling with favorable prefactors and preserves AFQMC accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

SAN-Based Block Polymers as a Platform for Manufacturing Strong Isoporous Membranes

Ultrafiltration (UF) membranes are ubiquitous in water purification and bioprocessing. However, co-designing their mechanical and transport properties remains challenging because of the broad pore size distributions at the surface and within the bulk that result from nonsolvent-induced phase separation (NIPS) – their typical manufacturing process. These distributions influence the hydrodynamic resistance to water flow and the stress concentrations around the pores. Developing advanced UF membranes requires innovative molecular designs that offer control over the surface and bulk pores, as well as the mechanical properties of the load-bearing, polymer. Here, we introduce a platform for designing UF membranes by leveraging solution self-assembly of block polymers and chain architectures with pendant polar groups. The block polymers consist of a poly(styrene-co-acrylonitrile) hydrophobic block, which is known for its strength, and a poly(4-vinyl pyridine) hydrophilic block, which drives solution self-assembly. We focus on a series of block polymers with constant molecular weight, M n ≈ 115 kDa, SAN fraction, 75 wt.%, and varying acrylonitrile content, 0 to 40 mol%, to demonstrate that: (i) RAFT dispersion copolymerization of acrylonitrile and styrene provides a facile route to synthesize strong block polymers, (ii) incorporation of acrylonitrile into the hydrophobic block enhances membrane strength by facilitating chain entanglements and dipole-dipole interactions, and (iii) acrylonitrile alters the balance between membrane permeance and rejection, even when the membranes feature similar surface and bulk pores. Overall, our results provide insights into the molecular design of UF membranes with enhanced mechanical and separation properties, contributing to the development of materials for water and energy technologies.

deformation↗