/******************************************************************************* * McXtrace instrument definition URL=http://www.mcxtrace.org * * Instrument: DanMAX * * %Identification * Written by: Erik B Knudsen (erkn@fysik.dtu.dk) * Date: Aug 2015 * Origin: DTU Physics * Version: 1.0 * %INSTRUMENT_SITE: MAXIV * * DanMAX Powder diffraction/Imaging beamline being designed at MAX IV. * * %Description * * Design study model of the DanMAX PowderX/Imaging beamline. * This early version uses a Gaussian approximation source, and a simple bandpass filter * as the multilayer. * * %Example: MAXIV_DanMAX_pxrd2d.instr -c -n1e6 E0=15 Detector: Pilatus_2M_I=8.10837e-05 * * %Parameters * E0: [keV] The central energy to sample from source model. * DE: [keV] Spectral width (std. dev. if gaussian source) to sample from source model. * undDetune: [eV] First harmonic detuning in eV. When zero - max flux on axis. If set to approx. 4 eV one can gain ~20% of flux through the aperture. * undK: [ ] Undulator K parameter, overrides E0. * oh_premonoh: [m] Pre-mono (white beam) slit height. * oh_premonow: [m] Pre-mono (white beam) slit width. * oh_endh: [m] OH exit slit height. * oh_endw: [m] OH exit slit width. * PXRDsampleap_h: [m] PXRD clean-up aperture height. * PXRDsampleap_w: [m] PXRD clean-up aperture width. * DMM_angle: [deg] Glancing angle of the ML. * DCM_angle: [deg] Glacing angle of the Si-111 monochromator crystals. * DCM: [ ] If nonzero the high-resolution SI DCM is active. * DCM_e0: [keV] The energy to tune the Si monochromator to. May be different from E0. If 0 the DCM is controlled by DCM_angle. * DMM: [ ] If nonzero the multilayer mono is active. * DMM_e0: [keV] The energy to tune the ML monochromator to. May be different from E0. If 0 the DMM is controlled by DMM_angle. * OH_2DCRL_N: [ ] Number of 2D focus CRLs in the optics hutch transfocator. 0 means transfocator is inactive. * pxrd_2d_tthc: [ ] Rotation around the sample tube (i.e. the x-axis) of the 2d-area detector arm. * pxrd_2d_y: [m] Offset of 2d-area detector centre perpendicular to the detector arm. * debugMon: [ ] If nonzero, all intermediate monitors appear for debugging purposes. * beamStop: [ ] If nonzero, a beamstop is in between sample and PXRD 2d-detector. * SPLITS: [ ] Split-number at the sample position. * sample_radius: [m] Powder sample cylinder radius * %End *******************************************************************************/ /* Change name of instrument and input parameters with default values */ DEFINE INSTRUMENT MAXIV_DanMAX_pxrd2d(E0=35,DE=0.05,undK=0,undDetune=4, DCM_e0=35,DMM_e0=35, oh_premonoh=1e-3,oh_premonow=1e-3, oh_endh=1e-3,oh_endw=1e-3, PXRDsampleap_h=300e-6, PXRDsampleap_w=300e-6, DMM_angle=0, DCM_angle=0, DCM=1, DMM=0, OH_2DCRL_N=0, EH_2DCRL_N=0, D_EH_2DCRL=0, sample_radius=100e-6, pxrd_2d_y=135e-3, pxrd_2d_tthc=0, SDD_2D=150e-3, debugMon=1, beamStop=1, int SPLITS=100) /* The DECLARE section allows us to declare variables or small */ /* functions in C syntax. These may be used in the whole instrument. */ DECLARE %{ double FEMMw=0.7e-3, FEMMh=0.7e-3; double oh_postmonow=1e-3,oh_postmonoh=1e-3; double diamond_zd=1e-3; double DMM_theta; double DMM_d; double DMM_rsag; double DMM_rmer; int DebMon; const char *ml_mono_Rfn="mirror_coating_unity.dat"; double DCM_theta; double DCM_d; double oh_2dcrl_ap=0.4405e-3; const double oh_2dcrl_r=200e-6; int oh_2dcrl_N; double eh_2dcrl_ap=0.2e-3; const double eh_2dcrl_r=50e-6; int eh_2dcrl_N; double d_eh_2dcrl; double pxrd_sampleap_h; double pxrd_sampleap_w; const double beam_xoff=10e-3; double midmono_xoff; double r; double energy0; double E1st; double monitor_E0; double monitor_DE; double Efull_min; double Efull_max; double SDD_2D; double sample_radius; const double pxrd_2d_px=172e-6; const double pxrd_2d_py=172e-6; const int pxrd_2d_nx=1475; const int pxrd_2d_ny=1679; int h; char emon_options[256]; char divmon_options[256]; %} /* The INITIALIZE section is executed when the simulation starts */ /* (C code). You may use them as component parameter values. */ INITIALIZE %{ DMM_theta=DMM_angle; energy0=E0; DebMon = debugMon; /*compute the monochromator angles from E0*/ if (DCM_e0){ energy0=DCM_e0; double wl=12.3984/DCM_e0; const double a_si = 5.431020504; /*in AA*/ const double d_si111 = a_si/sqrt(3); const double f00=8*14;/*forward atomic scattering factor*/ double th_b = asin(wl/(2*d_si111)); /* Bragg angle in rad*/ double rel_displacement = 2*pow(d_si111,2.0)*f00*RE/(M_PI*pow(a_si,3.0)); DCM_angle=RAD2DEG * (th_b* (1.0+rel_displacement)); printf("DCM is tuned to E=%g keV corresponding to an angle of %g (%g + %g) deg.\n",DCM_e0, DCM_angle, th_b*RAD2DEG, rel_displacement*th_b*RAD2DEG); } DCM_theta=DCM_angle; if(DMM_e0){ /*if the DCM is not active => center the post mono energy monitors around DCM_e0.*/ if (!DCM) energy0=DMM_e0; DMM_angle=14.45048/DMM_e0; printf("DMM is tuned to E=%g keV corresponding to an angle of %g deg.\n",DMM_e0, DMM_angle); } DMM_theta=DMM_angle; /* compute DMM curvature from energy */ DMM_rsag= (1093.1*E0) - 11847; DMM_rmer= 176 + (1.8*E0); /* set fine E-monitor parameters */ if(DCM && DCM_e0) { monitor_E0=DCM_e0; monitor_DE=DCM_e0*0.5e-3; } if(DCM && !DCM_e0) { monitor_E0=E0; monitor_DE=E0*0.5e-3; } if(!DCM && DMM_e0) { monitor_E0=DMM_e0; monitor_DE=DMM_e0*3e-2; } if(!DCM && !DMM_e0) { monitor_E0=E0; monitor_DE=E0*3e-2; } snprintf(emon_options,255,"e limits %e %e\n",E0-DE, E0+DE); snprintf(divmon_options,255,"xdiv limits -4e-3 4e-3 ydiv limits -4e-3 4e-3"); /* set coarse E-monitor parameters */ Efull_min = E0-(0.5*DE); Efull_max = E0+(0.5*DE); if(DCM && DMM) { /*if si-mono and ml mono the beam is only partly displaced by the 1st si mono (6 mm) * The ml mono should probably have the largest */ midmono_xoff=6e-3; printf("si mono in, ml mono in\n"); DMM_rsag=10e7; DMM_rmer=10e7; } else if (DCM && !DMM) { /*if si-mono and no ml mono the beam displacement is done in full by the 1st-mono*/ midmono_xoff=beam_xoff; printf("si mono in, ml mono out\n"); } else if (!DCM && DMM) { /*if only ml mono the displacement is doen in full by the 2nd mono*/ midmono_xoff=0; printf("si mono out, ml mono in\n"); } else { /*neither mono is inserted - disallowed*/ fprintf(stderr,"Error (%s): must have at least one monochromator in. Please set DCM and/or DMM.\n","DanMAX.instr"); exit(-1); } printf("DMM1 saggital curvature radius is %g m, meridional radius is %g m.\n",DMM_rsag, DMM_rmer); DCM_d=midmono_xoff/sin(2.0*DCM_theta*DEG2RAD);/**/ DMM_d=(beam_xoff-midmono_xoff)/sin(2.0*DMM_theta*DEG2RAD); printf("x offset after DCM is: %g, x offset after DMM is: %g\n",midmono_xoff,beam_xoff); printf("z ml mono offset is: %g, z si mono offset is: %g\n",DMM_d,DCM_d); oh_2dcrl_N=OH_2DCRL_N; eh_2dcrl_N=EH_2DCRL_N; d_eh_2dcrl=D_EH_2DCRL; pxrd_sampleap_h=PXRDsampleap_h; pxrd_sampleap_w=PXRDsampleap_w; /*calculate harmonic order and fundamental harmonic of the undulator*/ if (E0>33.755){ h=15; } else if (E0>29.254){ h=13; } else if (E0>24.753){ h=11; } else if (E0>20.253){ h=9; } else if (E0>15.757){ h=7; } else { h=5; } E1st=E0/h+(undDetune/1000); printf("INFO: DanMAX_undulator: fundamental energy: %g, harmonic= %d, target energy= %g\n",E1st, h, E0); printf("INFO: DanMAX: PXRD 2d area detector prms: %g %g %g %g %d %d\n",pxrd_2d_y, pxrd_2d_tthc, pxrd_2d_px, pxrd_2d_py, pxrd_2d_nx, pxrd_2d_ny); %} /* Here comes the TRACE section, where the actual */ /* instrument is defined as a sequence of components. */ TRACE /* The Arm() class component defines reference points and orientations *//* in 3D space. Every component instance must have a unique name. Here, */ /* Origin is used. This Arm() component is set to define the origin of */ /* our global coordinate system (AT (0,0,0) ABSOLUTE). It may be used */ /* for further RELATIVE reference, Other useful keywords are : ROTATED */ /* EXTEND GROUP PREVIOUS. Also think about adding a photon source ! */ /* Progress_bar is an Arm displaying simulation progress. */ COMPONENT Origin = Progress_bar( ) AT (0,0,0) ABSOLUTE EXTEND %{ %} COMPONENT dmu = Undulator(verbose=1, E0=E0, dE=DE, E1st=E1st, focus_yh=1.1e-3, focus_xw=1.1e-3, dist=20, Ie=0.5, Ee=3.0, dEe=0.0008, K=undK, B=0, quick_integ=1, Nper=187, lu=0.016, sigex=53.66e-6, sigey=4.008e-6, sigepx=5.963e-6, sigepy=2.004e-6) AT(0,0,0) RELATIVE Origin /* Monitors */ /*COMPONENT src_mon = DanMAX_monitor (filename = "src_mon", xwidth=5e-3, yheight=5e-3, ndiv=101, E0=monitor_E0, dE=monitor_DE, Efull_min=Efull_min, Efull_max=Efull_max, restore_xray=1)*/ /*AT (0,0,1) RELATIVE Origin*/ COMPONENT src_psd = Monitor_nD(restore_xray=1, filename="src_mon.psd", xwidth=5e-3, yheight=5e-3, bins=101, options="x limits -0.2e-3 0.2e-3 y limits -0.2e-3 0.2e-3") AT(0,0,1) RELATIVE Origin COMPONENT src_div = Monitor_nD(restore_xray=1, filename="src_mon.div", xwidth=5e-3, yheight=5e-3, bins=101, options=divmon_options) AT(0,0,1) RELATIVE Origin COMPONENT src_e = Monitor_nD(restore_xray=1, filename="src_mon.e", xwidth=5e-3, yheight=5e-3, bins=101, options=emon_options) AT(0,0,1) RELATIVE Origin COMPONENT FM1 = Slit( xwidth=5.68e-3, yheight=5.68e-3) AT(0,0,11.35) RELATIVE Origin COMPONENT FM2 = Slit( xwidth=1.58e-3, yheight=1.58e-3) AT(0,0,15.75) RELATIVE Origin /* The beam defining movable mask */ COMPONENT FEMM = Slit( xwidth=FEMMw, yheight=FEMMh) AT(0,0,19.324) RELATIVE Origin /* COMPONENT FE_PDc = PD_monitor(filename = "FE_PDc", xwidth=3, yheight=3, nx=3, ny=3) */ /* AT(0,0,0.001) RELATIVE PREVIOUS */ /* COMPONENT FE_PDf = PD_monitor(filename = "FE_PDf", xwidth=1.4e-3, yheight=1.4e-3, nx=51, ny=51) */ /* AT(0,0,0.001) RELATIVE PREVIOUS */ /*FE wall*/ /*Optics hutch*/ COMPONENT oh0 = Arm() AT(0,0,22.5) RELATIVE Origin /* diamond_filters */ COMPONENT oh_diamond_filter1 = Filter( refraction=0,xwidth=0.01,yheight=0.01, zdepth=diamond_zd,material_datafile="C-diamond.txt") AT(0,0,0.975) RELATIVE oh0 /* placeholder: A single laue crystal to deflect the "parasitic" beam */ /* pre-monochromator guard slits*/ COMPONENT oh_premono_ap = Slit( xwidth=oh_premonow,yheight=oh_premonoh) AT(0,0,3.727) RELATIVE oh0 /* Optional high-resolution Si-111 monochromator.*/ COMPONENT DCM0_a0 = Arm() AT(0,0,4.655) RELATIVE oh0 ROTATED(0,DCM_theta,0) RELATIVE oh0 COMPONENT DCM0 = Bragg_crystal( length=50e-3, width=20e-3, h=1, k=1, l=1, V=160.1826, alpha=0, material="Si.txt") WHEN(DCM) AT(0,0,0) RELATIVE DCM0_a0 ROTATED (0,0,-90) RELATIVE DCM0_a0 EXTEND %{ if (!SCATTERED) ABSORB; %} COMPONENT DCM0_a1 = Arm() AT(0,0,0) RELATIVE DCM0_a0 ROTATED (0,DCM_theta,0) RELATIVE DCM0_a0 COMPONENT DCM1_a0 = Arm() AT(0,0,DCM_d) RELATIVE DCM0_a1 ROTATED (0,-DCM_theta,0) RELATIVE DCM0_a1 COMPONENT DCM1 = Bragg_crystal( length=100e-3, width=20e-3, h=1, k=1, l=1, V=160.1826, alpha=0, material="Si.txt") WHEN(DCM) AT(0,0,0) RELATIVE DCM1_a0 ROTATED (0,0,90) RELATIVE DCM1_a0 EXTEND %{ if (!SCATTERED) ABSORB; %} COMPONENT DCM1_a1 = Arm() AT(0,0,0) RELATIVE DCM1_a0 ROTATED (0,-DCM_theta,0) RELATIVE DCM1_a0 /* The Multilayer monochromator goes here - the displacement should be given depending on an input target energy*/ COMPONENT DMM0_a0= Arm() AT(midmono_xoff,0,5.848) RELATIVE oh0 ROTATED (0,DMM_theta,0) RELATIVE oh0 /* if only DMM is used the first mirror is toroidal due to the heat bump */ COMPONENT DMM0a = Mirror_toroid( xwidth=45e-3, zdepth=200e-3, coating="w_b4c_si_3AArghn.dat", radius=DMM_rsag, radius_o=DMM_rmer) WHEN (DMM && !DCM) AT (0,0,0) RELATIVE DMM0_a0 ROTATED (0,0,-90) RELATIVE DMM0_a0 /* if both monos are used, the first ML mirror is flat, no heat bump on it */ COMPONENT DMM0b = Mirror( xwidth=45e-3, zdepth=200e-3, coating="w_b4c_si_3AArghn.dat") WHEN (DCM && DMM) AT (0,0,0) RELATIVE DMM0_a0 ROTATED (0,0,-90) RELATIVE DMM0_a0 COMPONENT DMM0_a1 = Arm() AT(0,0,0) RELATIVE DMM0_a0 ROTATED(0,DMM_theta,0) RELATIVE DMM0_a0 COMPONENT DMM1_a0= Arm() AT(0,0,DMM_d) RELATIVE DMM0_a1 ROTATED(0,-DMM_theta,0) RELATIVE DMM0_a1 COMPONENT DMM1 = Mirror( xwidth=45e-3, zdepth=200e-3, coating="w_b4c_si_3AArghn.dat") WHEN (DMM) AT (0,0,0) RELATIVE PREVIOUS ROTATED (0,0,90) RELATIVE PREVIOUS COMPONENT DMM1_a1 = Arm() AT(0,0,0) RELATIVE DMM1_a0 ROTATED(0,-DMM_theta,0) RELATIVE DMM1_a0 /* Monochromatic slits 1 */ COMPONENT oh_postmono_ap = Slit( xwidth=oh_postmonow,yheight=oh_postmonoh) AT(beam_xoff,0,7.375) RELATIVE oh0 /* post mono monitors */ /*COMPONENT oh_postmono = COPY(src_mon)(filename="oh_postmono")*/ /*WHEN(debugMon) AT(beam_xoff,0,7.869) RELATIVE oh0*/ COMPONENT oh_postmono_psd = COPY(src_psd)(filename="oh_postmono.psd", options="x limits -0.5e-3 0.5e-3 y limits -0.5e-3 0.5e-3") WHEN(debugMon) AT(beam_xoff,0,7.869) RELATIVE oh0 COMPONENT oh_postmono_div = COPY(src_div)(filename="oh_postmono.div", options=divmon_options) WHEN(debugMon) AT(beam_xoff,0,7.869) RELATIVE oh0 COMPONENT oh_postmono_e = COPY(src_e)(filename="oh_postmono.e", options=emon_options) WHEN(debugMon) AT(beam_xoff,0,7.869) RELATIVE oh0 /* Focusing by CRLs 1D and 2D blocks */ COMPONENT oh_2dcrl_guard=Slit(radius=oh_2dcrl_ap) WHEN(OH_2DCRL_N) AT(beam_xoff,0,8.198) RELATIVE oh0 COMPONENT oh_2dcrl= Lens_parab( r=oh_2dcrl_r, r_ap=oh_2dcrl_ap, material_datafile="Be.txt", N=oh_2dcrl_N, d=30e-6) WHEN (OH_2DCRL_N) AT(beam_xoff,0,8.418) RELATIVE oh0 /* Aperture forming the exit of the optics hutch */ COMPONENT oh_end_ap = Slit( xwidth=oh_endw,yheight=oh_endh) AT(beam_xoff,0,8.939) RELATIVE oh0 /*The experimental hutch starts here*/ COMPONENT eh0 = Arm() AT(beam_xoff,0,38.158) RELATIVE Origin /* EH start monitors */ /*COMPONENT eh_start = COPY(src_mon)(filename="eh_start")*/ /*WHEN(debugMon) AT(0,0,0) RELATIVE eh0*/ COMPONENT eh_start_psd = COPY(src_psd)(filename="eh_start.psd", options="x limits -0.5e-3 0.5e-3 y limits -0.5e-3 0.5e-3") WHEN(debugMon) AT(0,0,0) RELATIVE eh0 COMPONENT eh_start_div = COPY(src_div)(filename="eh_start.div", options=divmon_options) WHEN(debugMon) AT(0,0,0) RELATIVE eh0 COMPONENT eh_start_e = COPY(src_e)(filename="eh_start.e", options=emon_options) WHEN(debugMon) AT(0,0,0) RELATIVE eh0 /*imaging sample station*/ COMPONENT Imaging = Arm() AT(0,0,2) RELATIVE eh0 /*COMPONENT imaging_monitor = COPY(src_mon)(filename="imaging_monitor")*/ /*AT(0,0,0) RELATIVE Imaging*/ COMPONENT imaging_psd = COPY(src_psd)(filename="imaging.psd", options="x limits -0.5e-3 0.5e-3 y limits -0.5e-3 0.5e-3") AT(0,0,0) RELATIVE Imaging COMPONENT imaging_div = COPY(src_div)(filename="imaging.div", options=divmon_options) AT(0,0,0) RELATIVE Imaging COMPONENT imaging_e = COPY(src_e)(filename="imaging.e", options=emon_options) AT(0,0,0) RELATIVE Imaging /*XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX*/ /*XXX PXRD XXX*/ /*XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX*/ /*XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX*/ /*XXX CRL FOCUS AT PXRD 2D XXX*/ /*XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX*/ /*COMPONENT eh_pre_crl_mon = COPY(src_mon)(filename="eh_pre_crl_mon")*/ /*AT(0,0,d_eh_2dcrl-0.02) RELATIVE Imaging*/ /**/ /*COMPONENT eh_2dcrl_guard=Slit(radius=eh_2dcrl_ap)*/ /*WHEN(EH_2DCRL_N) AT(0,0,d_eh_2dcrl-0.01) RELATIVE Imaging*/ /**/ /*COMPONENT eh_2dcrl= Lens_parab(*/ /* r=eh_2dcrl_r, r_ap=eh_2dcrl_ap, material_datafile="Be.txt", N=eh_2dcrl_N, d=30e-6)*/ /*WHEN (EH_2DCRL_N) AT(0,0,d_eh_2dcrl) RELATIVE Imaging*/ /*XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX*/ /*XXX PXRD_2D XXX*/ /*XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX*/ COMPONENT pxrd_2d_pt = Arm() AT(0,0,5.3) RELATIVE eh0 COMPONENT pxrd2_slit = Slit(xwidth=pxrd_sampleap_w,yheight=pxrd_sampleap_h) AT(0,0,-0.2) RELATIVE pxrd_2d_pt /*COMPONENT pxrd2 = COPY(src_mon)(filename="pxrd2")*/ /*AT(0,0,0) RELATIVE pxrd_2d_pt*/ COMPONENT pxrd2_psd = COPY(src_psd)(filename="pxrd2.psd", options="x limits -0.5e-3 0.5e-3 y limits -0.5e-3 0.5e-3") AT(0,0,0) RELATIVE pxrd_2d_pt COMPONENT pxrd2_div = COPY(src_div)(filename="pxrd2.div", options=divmon_options) AT(0,0,0) RELATIVE pxrd_2d_pt COMPONENT pxrd2_e = COPY(src_e)(filename="pxrd2.e", options=emon_options) AT(0,0,0) RELATIVE pxrd_2d_pt SPLIT SPLITS COMPONENT powdern = PowderN( reflections="LaB6_660b_AVID2.hkl", material="lab6.abs", radius=sample_radius, yheight=10e-3, d_phi = 90, pack = 0.6, Vc=71.830, density = 4.72, p_interact=0.8, p_transmit=0.1, p_inc=0.1) AT (0, 0, 0) RELATIVE pxrd_2d_pt ROTATED (0,0,90) RELATIVE pxrd_2d_pt COMPONENT pxrd_2d_a = Arm() AT(0,0,0) RELATIVE pxrd_2d_pt ROTATED (-pxrd_2d_tthc,0,0) RELATIVE pxrd_2d_pt COMPONENT beamstop2 = Beamstop(radius = 1e-3) WHEN(beamStop) AT(0,0,75e-3) RELATIVE pxrd_2d_pt COMPONENT Pilatus_2M = PSD_monitor( nx=pxrd_2d_nx,ny=pxrd_2d_ny,xwidth=pxrd_2d_nx*pxrd_2d_px, yheight=pxrd_2d_ny*pxrd_2d_py,filename="Pilatus_2M") AT(0,pxrd_2d_y,SDD_2D) RELATIVE pxrd_2d_a FINALLY %{ %} /* The END token marks the instrument definition end */ END