| Titel: |
Titel:
Data for the publication: Shell formation and two-dimensional nanofriction in three-dimensional ion Coulomb crystals
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| Autoren: |
Autoren:
Rüffert, Luca-Amadeus, Physikalisch-Technische Bundesanstalt (PTB), Forschugsgruppe QUEST 2, Quantenuhren und komplexe Systeme, ORCID: 0000-0001-8980-9794
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| Sprachen: |
Sprachen:
Englisch
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| DOI: |
DOI:
10.7795/710.20261005
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| Art der Ressource: |
Art der Ressource:
PTB: Simulationsdaten,
DINI: ResearchData,
DataCite: Dataset
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| Verlag: |
Verlag:
Physikalisch-Technische Bundesanstalt (PTB)
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| Erscheinungsjahr: |
Erscheinungsjahr:
2026
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| Rechte: |
Rechte:
https://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0) |
| Datumsangaben: |
Datumsangaben:
Verfügbar:
2026-10-05
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| Klassifikationen: |
Klassifikationen:
INSPEC A30 Atomic and molecular physics
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| Datei: |
Datei:
Datei herunterladen
(application/zip)
4.3 MB
MD5 Prüfsumme: cfdcfcde525ddf3a0b064714790902f7 SHA256 Prüfsumme: f26f529c7f9899652bb5eb49864b72bf8c1db8bf61f0b4fb75ac443d1eb3b2b5 |
| Stichwörter: |
Stichwörter:
ion Coulomb crystals ;
trapped ions ;
molecular dynamics ;
shell formation ;
nanofriction ;
commensurability ;
stick-slip motion
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| Zusammenfassung: |
Zusammenfassung:
We investigated the formation of shells in three-dimensional ion Coulomb clusters and analysed their relative motion and dynamics under the lens of nanofriction using molecular dynamics simulations. The data presented here is the result of the evaluated ion trajectories generated using our in-group simulation code. The data for each figure was compiled in separate .csv files making it possible to reconstruct each graph of each figure individually. Figures with purely graphical elements or schematic representations are excluded.
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| Inhaltsverzeichnis: |
Inhaltsverzeichnis:
directory structure:structural_data: evaluated data for Figures 4, 6, 7, and 13-18 dynamical_data: evaluated trajectory and torque-response data for Figures 8-10 and Table I raw_sim_data: independently readable CSV conversion of the ion-configuration files used directly by Figures 13-15, 17, and 18 excluded figures: Figures 1, 2, 3, 5, 11, and 12 contain experimental images, graphical elements, or schematic representations and therefore have no separate numerical plot-data files in this dataset. description of the individual files: - figure: Figure 4 method: shell analysis of simulated ion configurations and evaluation of shell-transition lines exported files: - structural_data/figure_04_shell_number_heatmap.csv description: Shell number and dimensionless linear density on the plotted (N, alpha) grid. columns: N_ions; alpha; number_of_shells; dimensionless_linear_density - structural_data/figure_04_heatmap_transition_overlays.csv description: Dashed empirical transition lines and white linear-density prediction markers plotted over the heatmap. columns: curve_type; N_ions; alpha - structural_data/figure_04_shell_count_scaling.csv description: Transition-slope data with x uncertainties and the fitted power-law curve for panel (b). columns: record_type; alpha_over_N; number_of_shells; alpha_over_N_uncertainty - figure: Figure 6 exported file: structural_data/figure_06_energy_vs_rotation_angle.csv description: Mean-subtracted potential-energy modulation of the rotating outer shell for each selected system. columns: alpha; N_ions; rotation_angle_deg; delta_potential_energy_mK; peak_to_peak_energy_mK; returns_to_initial_branch - figure: Figure 7 exported file: structural_data/figure_07_effective_barrier_vs_ion_number.csv description: Effective rotational barrier per ion versus ion number for every trapping aspect ratio. columns: alpha; N_ions; effective_barrier_per_ion_mK; returns_to_initial_branch; highlighted_system - figure: Figure 8 exported file: dynamical_data/figure_08_normalized_angular_velocity_vs_time.csv description: Time-dependent outer-shell angular velocity for the three driving torques shown in the figure. columns: source_file; N_ions; drive_torque_over_tau_prime; time_ms; corrected_torque_over_tau_prime; angular_velocity; maximum_angular_velocity; normalized_angular_velocity - figure: Figure 9 and Table I exported files: - dynamical_data/figure_09_sliding_efficiency_vs_driving_torque.csv description: Increasing- and decreasing-torque sweeps of the normalized sliding efficiency. columns: source_file; alpha; N_ions; sweep_direction; driving_torque_over_tau_prime; effective_torque_over_tau_prime; mean_angular_velocity; maximum_angular_velocity; sliding_efficiency - dynamical_data/table_01_pinning_and_depinning_torques.csv description: Pinning- and depinning-torque estimates and the relative half-step uncertainty. Decreasing sweeps yield pinning thresholds; increasing sweeps yield depinning thresholds. columns: alpha; N_ions; source_file; sweep_direction; transition_type; transition_torque_over_tau_prime; relative_half_step_uncertainty - figure: Figure 10 exported file: dynamical_data/figure_10_outer_shell_angular_velocity_profile.csv description: Normalized mean angular velocity of each retained outer-shell ion as a function of its mean axial position. columns: alpha; N_ions; z_um; normalized_mean_angular_velocity - figure: Figure 13 exported files: - structural_data/figure_13_deltahedron_vertices.csv description: Ion coordinates for the eight plotted ground-state deltahedron configurations. columns: shape_name; N_ions; ion_index; x_um; y_um; z_um - structural_data/figure_13_deltahedron_edges.csv description: Unique convex-hull edges connecting the plotted vertices. columns: shape_name; N_ions; ion_index_1; ion_index_2 - figure: Figure 14 exported files: - structural_data/figure_14_shell_histogram.csv description: Raw and smoothed counts versus the shell-analysis iteration index. columns: shell_index_i; raw_count; smoothed_count; shell_region - structural_data/figure_14_shell_structure_coordinates.csv description: Coordinates, normalized ellipsoidal radius, shell index, and plotted shell-region assignment of every ion. columns: ion_index; x_um; y_um; z_um; normalized_ellipsoidal_radius; shell_index_i; shell_region - figure: Figure 15 exported file: structural_data/figure_15_inner_shell_coordinates_alpha_4.09_N_73.csv description: Original and displayed (80 degree rotated) coordinates of the innermost non-empty shell for the selected configuration. columns: shell_ion_index; global_ion_index; x_original_um; y_original_um; z_original_um; x_rotated_um; y_rotated_um; z_rotated_um - figure: Figure 16 exported files: - structural_data/figure_16_second_energy_difference_residuals.csv description: Matched second-energy-difference and effective-barrier series, local trends, residuals, and plotted z scores. columns: alpha; N_ions; second_energy_difference_mK; effective_barrier_per_ion_mK; returns_to_initial_branch; second_energy_difference_trend_mK; effective_barrier_trend_mK; second_energy_difference_residual_mK; effective_barrier_residual_mK; z_second_energy_difference_residual; z_effective_barrier_residual - structural_data/figure_16_residual_correlations.csv description: Pearson and Spearman correlations for all matched points and for the continuous-branch subset. columns: alpha; selection; N_min; n_points; pearson_r; pearson_p; spearman_rho; spearman_p - figure: Figure 17 exported files: - structural_data/figure_17_energy_decomposition_curves.csv description: Plotted changes of the inner-outer, outer-outer, trap, and total energy terms along each relaxed rotational path. columns: alpha; N_ions; rotation_angle_deg; delta_U_in_out_mK; delta_U_out_out_mK; delta_U_trap_total_mK; delta_U_trap_outer_mK; delta_U_total_mK - structural_data/figure_17_energy_decomposition_summary.csv description: Peak-to-peak amplitudes and shell populations for the selected systems. columns: source_file; alpha; N; N_inner; N_outer; ptp_U_in_out; ptp_U_out_out; ptp_U_trap_total; ptp_U_trap_outer; ptp_U_total; ptp_U_relevant - figure: Figure 18 exported files: - structural_data/figure_18_dynamic_commensurability_curves.csv description: Plotted changes of the geometric commensurability score and inner-outer interaction energy along the relaxed rotational path. columns: alpha; N_ions; rotation_angle_deg; delta_geometric_commensurability; delta_inner_outer_energy_mK - structural_data/figure_18_dynamic_commensurability_summary.csv description: Geometric commensurability summary values and the branch-continuity flag for each selected system. columns: alpha; N_ions; kappa_geom; C_mean; C_min; C_max; sigma_um; same_config - figures: Figures 13-15, 17, and 18 method: lossless structural conversion of the named ionsimulator text fields; unnamed trailing values are preserved without interpretation exported files: - raw_sim_data/source_manifest.csv columns: source_file; converted_csv; used_for; N_ions; trajectory_rows - raw_sim_data/simulation_parameters.csv columns: source_file; parameter; value - raw_sim_data/timestep_auxiliary_values.csv columns: source_file; trajectory_index; unnamed_source_value_1 ... unnamed_source_value_n - raw_sim_data/ion_configuration_trajectories/*.csv description: One long-format file per source configuration, preserving every saved ion state. columns: trajectory_index; ion_index; x_um; y_um; z_um; vx_raw; vy_raw; vz_raw format and software: format: .csv (comma-separated UTF-8 plain text with one header row per file) missing values: empty field or NaN where a quantity is not defined for a record type recommended software: any software capable of reading CSV files (for example Python/NumPy/pandas, MATLAB, Origin, or Excel) raw velocity fields: vx_raw, vy_raw, and vz_raw preserve the native simulation-output values because the source text format does not encode a unit label for these columns. |
| Förderung: |
Förderung:
Förderer: European Union (EU), ROR: 019w4f821Förderprogramm: European Metrology Programme for Innovation and Research (EMPIR) Projekt: 18SIB05 ROCIT, Robust Optical Clocks for International Timescales Förderer: European Union (EU), ROR: 019w4f821 Förderprogramm: European Metrology Programme for Innovation and Research (EMPIR) Projekt: 20FUN01 TSCAC, Two-Species Composite Atomic Clocks Förderer: Deutsche Forschungsgemeinschaft (DFG), ROR: 018mejw64 Projekt: EXC-2123 (Project-ID 390837967) , QuantumFrontiers - Licht und Materie an der Quantengrenze Förderer: Deutsche Forschungsgemeinschaft (DFG), ROR: 018mejw64 Projekt: CRC 1227 A07 , Dynamics of Ion Coulomb Crystals |
Autoren
Rüffert, Luca-Amadeus, Physikalisch-Technische Bundesanstalt (PTB), Forschugsgruppe QUEST 2, Quantenuhren und komplexe Systeme, ORCID: 0000-0001-8980-9794