Results for “Preferred transition” — Page 15

DOE OSTI2025

2022 Kauai Ground Transportation Survey

# 2022 Kauai Ground Transportation Survey The 2022 Kauai Ground Transportation Survey was designed to improve understanding of the transportation preferences of residents and visitors of the Hawaiian island of Kauai. For residents of Kauai, the survey focused on mode-choice decisions for commute, leisure, and shopping activities and whether they would consider using alternative modes instead of driving if such options were available. For visitors, the survey focused on whether they would consider alternatives to rental cars if such options were available. Ultimately, survey results will inform the development of sustainable transportation strategies for the island. ## Data Collection Agency NREL and the Kauai Office of Economic Development conducted the study as part of the U.S. Department of Energy's Energy Transitions Initiative Partnership Project. ## Survey Methodology The survey was conducted July—October 2022. Respondents were recruited via direct email invitation, a press release on the Kauai County website and Facebook page, and posters at community outreach events. ## Survey Records, Data, and Documentation Survey records include 1,437 participants.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

2022 Kauai Ground Transportation Survey

# 2022 Kauai Ground Transportation Survey The 2022 Kauai Ground Transportation Survey was designed to improve understanding of the transportation preferences of residents and visitors of the Hawaiian island of Kauai. For residents of Kauai, the survey focused on mode-choice decisions for commute, leisure, and shopping activities and whether they would consider using alternative modes instead of driving if such options were available. For visitors, the survey focused on whether they would consider alternatives to rental cars if such options were available. Ultimately, survey results will inform the development of sustainable transportation strategies for the island. ## Data Collection Agency NREL and the Kauai Office of Economic Development conducted the study as part of the U.S. Department of Energy's Energy Transitions Initiative Partnership Project. ## Survey Methodology The survey was conducted July—October 2022. Respondents were recruited via direct email invitation, a press release on the Kauai County website and Facebook page, and posters at community outreach events. ## Survey Records, Data, and Documentation Survey records include 1,437 participants.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

2022 Kauai Ground Transportation Survey

# 2022 Kauai Ground Transportation Survey The 2022 Kauai Ground Transportation Survey was designed to improve understanding of the transportation preferences of residents and visitors of the Hawaiian island of Kauai. For residents of Kauai, the survey focused on mode-choice decisions for commute, leisure, and shopping activities and whether they would consider using alternative modes instead of driving if such options were available. For visitors, the survey focused on whether they would consider alternatives to rental cars if such options were available. Ultimately, survey results will inform the development of sustainable transportation strategies for the island. ## Data Collection Agency NREL and the Kauai Office of Economic Development conducted the study as part of the U.S. Department of Energy's Energy Transitions Initiative Partnership Project. ## Survey Methodology The survey was conducted July—October 2022. Respondents were recruited via direct email invitation, a press release on the Kauai County website and Facebook page, and posters at community outreach events. ## Survey Records, Data, and Documentation Survey records include 1,437 participants.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

2022 Kauai Ground Transportation Survey

# 2022 Kauai Ground Transportation Survey The 2022 Kauai Ground Transportation Survey was designed to improve understanding of the transportation preferences of residents and visitors of the Hawaiian island of Kauai. For residents of Kauai, the survey focused on mode-choice decisions for commute, leisure, and shopping activities and whether they would consider using alternative modes instead of driving if such options were available. For visitors, the survey focused on whether they would consider alternatives to rental cars if such options were available. Ultimately, survey results will inform the development of sustainable transportation strategies for the island. ## Data Collection Agency NREL and the Kauai Office of Economic Development conducted the study as part of the U.S. Department of Energy's Energy Transitions Initiative Partnership Project. ## Survey Methodology The survey was conducted July—October 2022. Respondents were recruited via direct email invitation, a press release on the Kauai County website and Facebook page, and posters at community outreach events. ## Survey Records, Data, and Documentation Survey records include 1,437 participants.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

2022 Kauai Ground Transportation Survey

# 2022 Kauai Ground Transportation Survey The 2022 Kauai Ground Transportation Survey was designed to improve understanding of the transportation preferences of residents and visitors of the Hawaiian island of Kauai. For residents of Kauai, the survey focused on mode-choice decisions for commute, leisure, and shopping activities and whether they would consider using alternative modes instead of driving if such options were available. For visitors, the survey focused on whether they would consider alternatives to rental cars if such options were available. Ultimately, survey results will inform the development of sustainable transportation strategies for the island. ## Data Collection Agency NREL and the Kauai Office of Economic Development conducted the study as part of the U.S. Department of Energy's Energy Transitions Initiative Partnership Project. ## Survey Methodology The survey was conducted July—October 2022. Respondents were recruited via direct email invitation, a press release on the Kauai County website and Facebook page, and posters at community outreach events. ## Survey Records, Data, and Documentation Survey records include 1,437 participants.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

2022 Kauai Ground Transportation Survey

# 2022 Kauai Ground Transportation Survey The 2022 Kauai Ground Transportation Survey was designed to improve understanding of the transportation preferences of residents and visitors of the Hawaiian island of Kauai. For residents of Kauai, the survey focused on mode-choice decisions for commute, leisure, and shopping activities and whether they would consider using alternative modes instead of driving if such options were available. For visitors, the survey focused on whether they would consider alternatives to rental cars if such options were available. Ultimately, survey results will inform the development of sustainable transportation strategies for the island. ## Data Collection Agency NREL and the Kauai Office of Economic Development conducted the study as part of the U.S. Department of Energy's Energy Transitions Initiative Partnership Project. ## Survey Methodology The survey was conducted July—October 2022. Respondents were recruited via direct email invitation, a press release on the Kauai County website and Facebook page, and posters at community outreach events. ## Survey Records, Data, and Documentation Survey records include 1,437 participants.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

2022 Kauai Ground Transportation Survey

# 2022 Kauai Ground Transportation Survey The 2022 Kauai Ground Transportation Survey was designed to improve understanding of the transportation preferences of residents and visitors of the Hawaiian island of Kauai. For residents of Kauai, the survey focused on mode-choice decisions for commute, leisure, and shopping activities and whether they would consider using alternative modes instead of driving if such options were available. For visitors, the survey focused on whether they would consider alternatives to rental cars if such options were available. Ultimately, survey results will inform the development of sustainable transportation strategies for the island. ## Data Collection Agency NREL and the Kauai Office of Economic Development conducted the study as part of the U.S. Department of Energy's Energy Transitions Initiative Partnership Project. ## Survey Methodology The survey was conducted July—October 2022. Respondents were recruited via direct email invitation, a press release on the Kauai County website and Facebook page, and posters at community outreach events. ## Survey Records, Data, and Documentation Survey records include 1,437 participants.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

2022 Kauai Ground Transportation Survey

# 2022 Kauai Ground Transportation Survey The 2022 Kauai Ground Transportation Survey was designed to improve understanding of the transportation preferences of residents and visitors of the Hawaiian island of Kauai. For residents of Kauai, the survey focused on mode-choice decisions for commute, leisure, and shopping activities and whether they would consider using alternative modes instead of driving if such options were available. For visitors, the survey focused on whether they would consider alternatives to rental cars if such options were available. Ultimately, survey results will inform the development of sustainable transportation strategies for the island. ## Data Collection Agency NREL and the Kauai Office of Economic Development conducted the study as part of the U.S. Department of Energy's Energy Transitions Initiative Partnership Project. ## Survey Methodology The survey was conducted July—October 2022. Respondents were recruited via direct email invitation, a press release on the Kauai County website and Facebook page, and posters at community outreach events. ## Survey Records, Data, and Documentation Survey records include 1,437 participants.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

Patch selection by bumble bees navigating discontinuous landscapes

Pollen and nectar resources are unevenly distributed over space and bees must make routing decisions when navigating patchy resources. Determining the patch selection process used by bees is crucial to understanding bee foraging over discontinuous landscapes. To elucidate this process, we developed four distinct probability models of bee movement where the size and the distance to the patch determined the attractiveness of a patch. A field experiment with a center patch and four peripheral patches of two distinct sizes and distances from the center was set up in two configurations. Empirical transition probabilities from the center to each peripheral patch were obtained at two sites and two years. The best model was identified by comparing observed and predicted transition probabilities, where predicted values were obtained by incorporating the spatial dimensions of the field experiment into each model’s mathematical expression. Bumble bees used both patch size and isolation distance when selecting a patch and could assess the total amount of resources available in a patch. Bumble bees prefer large, nearby patches. This information will facilitate the development of a predictive framework to the study of bee movement and of models that predict the movement of genetically engineered pollen in bee-pollinated crops.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

First-principles investigation of phase stability in layered Na x ⁢CrO 2

Layered oxide intercalation compounds continue to attract interest as electrode materials for Na-ion batteries. However, many of these materials undergo complex phase transitions during cycling that influence battery performance but are still not completely understood. We have conducted a first-principles study of layered Na x ⁢CrO 2 (0 ≤ x ≤ 1) to assess phase stability between various Na-vacancy ordered phases in the O3 and P3 host structures. We predict that many of the low-energy phases belong to families of Na orderings that follow specific patterns. At high x, we identify families of vacancy row orderings in O3, which may also couple to magnetic orderings of the Cr spins. We predict similar orderings at intermediate x in P3 that contain antiphase boundaries between regions of the x = 1/2 ordering. In both cases, the average spacing between rows/boundaries is set by the overall composition. At x = 0, we find a strong preference for charge disproportionation and migration of Cr to tetrahedral sites in the intercalation layers. Finally, we obtain generally good agreement with experimental observations and rationalize key discrepancies.

25 ENERGY STORAGE↗

DOE OSTI2025

DESI 2024: Constraints on physics-focused aspects of dark energy using DESI DR1 BAO data

Baryon acoustic oscillation data from the first year of the Dark Energy Spectroscopic Instrument (DESI) provide near percent-level precision of cosmic distances in seven bins over the redshift range z=0.1–4.2. Here, this paper is the follow-up to the original DESI BAO cosmology paper [A. G. Adame et al. (DESI Collaboration), arXiv:2404.03002], which considered the conventional w 0 w a cold dark matter (CDM) model. We use the novel DESI data, together with other cosmic probes, to constrain the background expansion history using some well-motivated physical classes of dark energy. In particular, we explore three physics-focused behaviors of dark energy from the equation of state and energy density perspectives: the thawing class (matching many simple quintessence potentials), emergent class (where dark energy comes into being recently, as in phase transition models), and mirage class [where phenomenologically the distance to cosmic microwave background (CMB) last scattering is close to that from a cosmological constant Λ despite dark energy dynamics]. All three classes fit the data at least as well as Λ ⁢CDM, and indeed can improve on it by Δ⁢χ 2 ≈ –5 to –17 for the combination of DESI BAO with CMB and supernova data while having one more parameter. The mirage class does essentially as well as w 0 ⁢w a CDM and exhibits moderate to strong Bayesian evidence preference with respect to Λ⁢ CDM. These classes of dynamical behaviors highlight worthwhile avenues for further exploration into the nature of dark energy.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Confinement effects and acid strength in zeolites

Chemical reactivity and sorption in zeolites are coupled to confinement and—to a lesser extent—to the acid strength of Brønsted acid sites (BAS). In presence of water the zeolite Brønsted acid sites eventually convert into hydronium ions. The gradual transition from zeolite Brønsted acid sites to hydronium ions in zeolites of varying pore size is examined by ab initio molecular dynamics combined with enhanced sampling based on Well-Tempered Metadynamics and a recently developed set of collective variables. While at low water content (1–2 water/BAS) the acidic protons prefer to be shared between zeolites and water, higher water contents (n > 2) invariably lead to solvation of the protons within a localized water cluster adjacent to the BAS. At low water loadings the standard free energy of the formed complexes is dominated by enthalpy and is associated with the acid strength of the BAS and the space around the site. Conversely, the entropy increases linearly with the concentration of waters in the pores, favors proton solvation and is independent of the pore size/shape.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

First-principles investigation of structure-property relationships in stable and metastable MXenes

Understanding the structure–property relationships in layered transition-metal carbides or nitrides, known as MXenes, is of critical importance for their rational design, synthesis, and application. However, the vast chemical and structural diversity of MXenes, stemming from their wide range of M and X elements, surface terminations, and different atomic coordination environments, makes it challenging to clearly understand these structure–property relationships. Here, in this work, we perform first-principles density functional theory (DFT) calculations and molecular dynamics (MD) simulations to comprehensively investigate the stability and a variety of physical properties of MXenes with different coordination environments. Using Ti- and Mo-based carbide MXenes as model systems, energetic calculations reveal that Ti-based MXenes are most stable in octahedral coordination, whereas Mo-based MXenes preferentially adopt prismatic coordination. This fundamental difference in preferred atomic coordination gives rise to markedly distinct properties between these two systems as a function of the fraction of octahedral and prismatic sites. For instance, the in-plane stiffness of Ti-based MXenes increases as octahedral coordination becomes dominant, but it decreases in the Mo-based MXenes under the same conditions. Additional stability analyses based on mechanical, lattice-dynamical, and temperature-dependent thermodynamic properties demonstrate that many metastable MXenes not only satisfy the strict stability criteria but can also undergo phase transitions among different structures and even become stabilized at elevated temperatures. Although surface terminations, such as F and O atoms, do not alter the energetic ordering or the overall stiffness trends among stable and metastable MXenes, they influence other material properties. For instance, O termination can induce semiconducting behavior in both stable and metastable Ti 2 ⁢CO 2 MXenes. This study significantly advances the fundamental understanding of structure–property relationships in MXenes and provides valuable guidance for developing coordination-based design principles to precisely engineer MXenes with improved properties.

Oyeniran, Noah [University of Alabama, Tuscaloosa,↗

DOE OSTI2025

Free-Energy Landscapes and Surface Dynamics in Methane Activation on Ni(511) via Machine Learning and Enhanced Sampling

Methane activation on stepped Ni(511) surfaces involves the rearrangement of surface atoms as the chemical reaction proceeds. This process is particularly sensitive to temperature. Using machine-learned interatomic potentials (MLIPs) coupled with enhanced sampling techniques, we investigate the activation of methane under realistic operando conditions. Our analysis reveals that methane dissociation occurs predominantly at step-edge nickel atoms. As CH x (where x = 3 or 4) species bind to additional surface nickel atoms, their reduced mobility leads to entropic penalties that suppress certain configurations and transition states. This is reflected in the underlying free energy surfaces, where configurations such as methyl binding to hollow sites and activation routes involving two nickel atoms become unfavorable as temperature increases. At elevated temperatures, methane activation extends from step-edge sites to terrace regions because of reduced free-energy barriers and enhanced surface dynamics. By decomposing the free-energy into enthalpic and entropic contributions, we uncover temperature-dependent shifts in the preferences of methane for the relevant active sites and arrive at a detailed molecular picture of methane activation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Amantadine interactions with phase separated lipid membranes

Amantadine, a small amphilphic organic compound that consists of an adamantane backbone and an amino group, was first recognized as an antiviral in 1963 and received approval for prophylaxis against the type A influenza virus in 1976. Since then, it has also been used to treat Parkinson’s disease-related dyskinesia and is being considered as a treatment for corona viruses. Since amantadine usually targets membrane-bound proteins, its interactions with the membrane are also thought to be important. Biological membranes are now widely understood to be laterally heterogeneous and certain proteins are known to preferentially co-localize within specific lipid domains. Does amantadine, therefore, preferentially localize in certain lipid composition domains? To address this question, here, we studied amantadine’s interactions with phase separating membranes composed of cholesterol, DSPC (1,2-distearoyl-sn-glycero-3-phosphocholine), POPC (1-palmitoyl-2-oleoyl-glycero-3-phosphocholine), and DOPC (1,2-dioleoyl-sn-glycero-3-phosphocholine), as well as single-phase DPhPC (1,2-diphytanoyl-sn-glycero-3-phos-phocholine) membranes. From Langmuir trough and differential scanning calorimetry (DSC) measurements, we determined, respectively, that amantadine preferentially binds to disordered lipids, such as POPC, and lowers the phase transition temperature of POPC/DSPC/cholesterol mixtures, implying that amantadine increases membrane disorder. Further, using droplet interface bilayers (DIBs), we observed that amantadine disrupts DPhPC membranes, consistent with its disordering properties. Finally, we carried out molecular dynamics (MD) simulations on POPC/DSPC/cholesterol membranes with varying amounts of amantadine. Consistent with experiment, MD simulations showed that amantadine prefers to associate with disordered POPC-rich domains, domain boundaries, and lipid glycerol backbones. Since different proteins co-localize with different lipid domains, our results have possible implications as to which classes of proteins may be better targets for amantadine.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Quantum dynamics of positron-hydrogen scattering and three-body bound state formation with an assisting laser field: predictions of a reduced-dimensionality model

Abstract We investigate the quantum dynamics of target excitation and positronium formation in the positron-hydrogen atom scattering without and with an external assisting laser field within a reduced-dimensional quantum model. Strong interference fringes between the incident and reflected positron wave packets are observed in the reaction region. We further investigate the critical behavior of transition probabilities near the channel-opening thresholds for hydrogen excitation and positronium formation and find a strong competition between channels with similar threshold energies, but different parities. The transmission ratios of the incident positron in different reaction channels are calculated, and it is shown that only positronium formation in the ground state prefers forward scattering. Our simulation of the positron-hydrogen scattering with an assisting laser field indicates that the three-particle bound states can be formed during the collisions due to the photon emission induced by the external laser field.

Optics↗

DOE OSTI2021

Interfacial electron-phonon coupling and quantum confinement in ultrathin Yb films on graphite

Interfacial electron-phonon coupling in ultrathin films has attracted much interest recently. Here, by combining angle-resolved photoemission spectroscopy and scanning tunneling microscopy, we report quantized electronic states and strong interfacial electron-phonon coupling in ultrathin Yb films on graphite. We observed clear kinks in the energy-momentum dispersion of quantum well states, and the kink positions agree well with the energies of optical phonons of graphite. The extracted coupling strength λ is largest for the thinnest film with a preferred (“magic”) thickness of four monolayers and exhibits a strong band dependence, which can be qualitatively accounted for by a simple model. The interfacial electron-phonon coupling also gives rise to characteristic steplike structures in the $dI/dV$ spectra, implying dominant coupling with the phonons with zero in-plane momentum. A Lifshitz transition occurs at higher coverage, where quantum well states derived mainly from 5d electrons dominate near the Fermi level and possess large effective mass (up to ~ 19 m e ). Here our results highlight the potentially important role of interfacial electron-phonon interaction for ultrathin films and provide spectroscopic insight to understand this cross-interface fermion-boson interaction.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Highly tunable, inexpensive and easily fabricated magnetocaloric materials

A method is provided of making a magnetocaloric alloy composition comprising Ni, Co, Mn, and Ti, which preferably includes certain beneficial substitutional elements, by melting the composition and rapidly solidifying the melted composition at a cooling rate of at least 100 K/second (Kelvin/second) to improve a magnetocaloric property of the composition. The rapidly solidified composition can be heat treated to homogenize the composition and annealed to tune the magneto-structural transition for use in a regenerator.

Bez, Henrique Neves↗